data_18277 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18277 _Entry.PDB_ID 2LPU 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 18277 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 MET N N 1 121.461 121.461 119.866 1.595 18277 2 1 1 . 1 1 2 2 MET HA H 1 4.581 4.581 4.552 0.029 18277 3 1 1 . 1 1 2 2 MET C C 1 175.184 175.184 176.404 -1.220 18277 4 1 1 . 1 1 2 2 MET CA C 1 55.447 55.447 55.024 0.423 18277 5 1 1 . 1 1 2 2 MET CB C 1 34.107 34.107 33.749 0.358 18277 6 1 1 . 1 1 2 2 MET H H 1 8.431 8.431 8.413 0.018 18277 7 1 1 . 1 1 3 3 LEU N N 2 123.575 123.575 124.148 -0.573 18277 8 1 1 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.172 0.298 18277 9 1 1 . 1 1 3 3 LEU C C 2 176.479 176.479 177.031 -0.552 18277 10 1 1 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.584 -1.040 18277 11 1 1 . 1 1 3 3 LEU CB C 2 43.200 43.200 42.006 1.194 18277 12 1 1 . 1 1 3 3 LEU H H 2 8.678 8.678 7.760 0.918 18277 13 1 1 . 1 1 4 4 THR N N 3 119.326 119.326 116.953 2.373 18277 14 1 1 . 1 1 4 4 THR HA H 3 4.398 4.398 4.681 -0.283 18277 15 1 1 . 1 1 4 4 THR C C 3 173.920 173.920 175.511 -1.591 18277 16 1 1 . 1 1 4 4 THR CA C 3 61.025 61.025 60.468 0.557 18277 17 1 1 . 1 1 4 4 THR CB C 3 71.090 71.090 70.434 0.656 18277 18 1 1 . 1 1 4 4 THR H H 3 8.541 8.541 7.602 0.939 18277 19 1 1 . 1 1 5 5 LEU N N 4 122.107 122.107 119.790 2.317 18277 20 1 1 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.458 -0.170 18277 21 1 1 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.158 0.934 18277 22 1 1 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.949 -0.143 18277 23 1 1 . 1 1 5 5 LEU H H 4 8.777 8.777 8.570 0.207 18277 24 1 1 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.368 -0.022 18277 25 1 1 . 1 1 6 6 PRO C C 5 179.812 179.812 178.050 1.762 18277 26 1 1 . 1 1 6 6 PRO CA C 5 66.260 66.260 65.031 1.229 18277 27 1 1 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.062 -0.003 18277 28 1 1 . 1 1 7 7 GLU N N 6 117.744 117.744 116.676 1.068 18277 29 1 1 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.256 -0.230 18277 30 1 1 . 1 1 7 7 GLU C C 6 178.359 178.359 176.935 1.424 18277 31 1 1 . 1 1 7 7 GLU CA C 6 59.103 59.103 57.949 1.154 18277 32 1 1 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.237 0.033 18277 33 1 1 . 1 1 7 7 GLU H H 6 7.088 7.088 7.765 -0.677 18277 34 1 1 . 1 1 8 8 TYR N N 7 120.825 120.825 117.908 2.917 18277 35 1 1 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.420 -0.525 18277 36 1 1 . 1 1 8 8 TYR C C 7 176.641 176.641 176.974 -0.333 18277 37 1 1 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.437 2.082 18277 38 1 1 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.208 -1.481 18277 39 1 1 . 1 1 8 8 TYR H H 7 8.310 8.310 7.705 0.605 18277 40 1 1 . 1 1 9 9 ASN N N 8 118.086 118.086 118.820 -0.734 18277 41 1 1 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.065 0.253 18277 42 1 1 . 1 1 9 9 ASN C C 8 179.060 179.060 177.572 1.488 18277 43 1 1 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.326 0.448 18277 44 1 1 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.946 0.363 18277 45 1 1 . 1 1 9 9 ASN H H 8 8.791 8.791 8.423 0.368 18277 46 1 1 . 1 1 10 10 GLU N N 9 120.057 120.057 119.717 0.340 18277 47 1 1 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.156 -0.043 18277 48 1 1 . 1 1 10 10 GLU C C 9 177.853 177.853 177.171 0.682 18277 49 1 1 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.474 0.032 18277 50 1 1 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.567 0.074 18277 51 1 1 . 1 1 10 10 GLU H H 9 8.013 8.013 8.277 -0.264 18277 52 1 1 . 1 1 11 11 GLN N N 10 116.468 116.468 116.537 -0.069 18277 53 1 1 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.528 -0.078 18277 54 1 1 . 1 1 11 11 GLN C C 10 177.470 177.470 176.178 1.292 18277 55 1 1 . 1 1 11 11 GLN CA C 10 56.997 56.997 54.887 2.110 18277 56 1 1 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.638 1.087 18277 57 1 1 . 1 1 11 11 GLN H H 10 7.488 7.488 7.343 0.145 18277 58 1 1 . 1 1 12 12 ILE N N 11 124.393 124.393 122.452 1.941 18277 59 1 1 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.744 0.084 18277 60 1 1 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.928 -2.422 18277 61 1 1 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.569 -1.311 18277 62 1 1 . 1 1 12 12 ILE H H 11 7.605 7.605 7.169 0.436 18277 63 1 1 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.458 -0.221 18277 64 1 1 . 1 1 13 13 PRO C C 12 179.113 179.113 177.308 1.805 18277 65 1 1 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.259 2.168 18277 66 1 1 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.829 0.248 18277 67 1 1 . 1 1 14 14 ASN N N 13 115.499 115.499 118.524 -3.025 18277 68 1 1 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.676 -0.084 18277 69 1 1 . 1 1 14 14 ASN C C 13 178.208 178.208 177.234 0.974 18277 70 1 1 . 1 1 14 14 ASN CA C 13 55.791 55.791 55.093 0.698 18277 71 1 1 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.131 -0.087 18277 72 1 1 . 1 1 14 14 ASN H H 13 7.793 7.793 7.917 -0.124 18277 73 1 1 . 1 1 15 15 VAL N N 14 121.205 121.205 121.381 -0.176 18277 74 1 1 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.793 -0.093 18277 75 1 1 . 1 1 15 15 VAL C C 14 176.999 176.999 177.440 -0.441 18277 76 1 1 . 1 1 15 15 VAL CA C 14 66.544 66.544 65.978 0.566 18277 77 1 1 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.551 -0.126 18277 78 1 1 . 1 1 15 15 VAL H H 14 7.704 7.704 7.813 -0.109 18277 79 1 1 . 1 1 16 16 ARG N N 15 121.067 121.067 119.043 2.024 18277 80 1 1 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.082 -0.368 18277 81 1 1 . 1 1 16 16 ARG C C 15 178.150 178.150 178.239 -0.089 18277 82 1 1 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.681 0.839 18277 83 1 1 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.434 0.781 18277 84 1 1 . 1 1 16 16 ARG H H 15 8.855 8.855 7.756 1.099 18277 85 1 1 . 1 1 17 17 SER N N 16 112.741 112.741 116.514 -3.773 18277 86 1 1 . 1 1 17 17 SER HA H 16 4.245 4.245 4.274 -0.029 18277 87 1 1 . 1 1 17 17 SER C C 16 177.177 177.177 176.134 1.043 18277 88 1 1 . 1 1 17 17 SER CA C 16 61.756 61.756 61.294 0.462 18277 89 1 1 . 1 1 17 17 SER CB C 16 62.785 62.785 62.810 -0.025 18277 90 1 1 . 1 1 17 17 SER H H 16 7.987 7.987 7.680 0.307 18277 91 1 1 . 1 1 18 18 LEU N N 17 122.703 122.703 117.761 4.942 18277 92 1 1 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.547 -0.290 18277 93 1 1 . 1 1 18 18 LEU C C 17 179.350 179.350 178.948 0.402 18277 94 1 1 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.135 1.349 18277 95 1 1 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.261 1.214 18277 96 1 1 . 1 1 18 18 LEU H H 17 7.728 7.728 7.598 0.130 18277 97 1 1 . 1 1 19 19 LEU N N 18 116.536 116.536 122.670 -6.134 18277 98 1 1 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.312 -0.081 18277 99 1 1 . 1 1 19 19 LEU C C 18 178.556 178.556 178.748 -0.192 18277 100 1 1 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.511 -0.236 18277 101 1 1 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.019 0.697 18277 102 1 1 . 1 1 19 19 LEU H H 18 8.367 8.367 8.812 -0.445 18277 103 1 1 . 1 1 20 20 THR N N 19 111.172 111.172 111.746 -0.574 18277 104 1 1 . 1 1 20 20 THR HA H 19 4.072 4.072 3.950 0.122 18277 105 1 1 . 1 1 20 20 THR C C 19 175.433 175.433 175.952 -0.519 18277 106 1 1 . 1 1 20 20 THR CA C 19 65.421 65.421 65.557 -0.136 18277 107 1 1 . 1 1 20 20 THR CB C 19 69.541 69.541 68.557 0.984 18277 108 1 1 . 1 1 20 20 THR H H 19 7.926 7.926 8.089 -0.163 18277 109 1 1 . 1 1 21 21 LYS N N 20 117.696 117.696 119.393 -1.697 18277 110 1 1 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.002 0.349 18277 111 1 1 . 1 1 21 21 LYS C C 20 176.229 176.229 177.281 -1.052 18277 112 1 1 . 1 1 21 21 LYS CA C 20 56.514 56.514 57.348 -0.834 18277 113 1 1 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.297 0.051 18277 114 1 1 . 1 1 21 21 LYS H H 20 7.350 7.350 7.926 -0.576 18277 115 1 1 . 1 1 22 22 TRP N N 21 123.258 123.258 121.370 1.888 18277 116 1 1 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.739 1.029 18277 117 1 1 . 1 1 22 22 TRP C C 21 177.333 177.333 176.555 0.778 18277 118 1 1 . 1 1 22 22 TRP CA C 21 54.466 54.466 56.949 -2.482 18277 119 1 1 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.641 0.241 18277 120 1 1 . 1 1 22 22 TRP H H 21 7.710 7.710 7.231 0.479 18277 121 1 1 . 1 1 23 23 ALA N N 22 133.336 133.336 127.798 5.538 18277 122 1 1 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.229 -0.083 18277 123 1 1 . 1 1 23 23 ALA C C 22 177.467 177.467 177.549 -0.082 18277 124 1 1 . 1 1 23 23 ALA CA C 22 54.855 54.855 52.879 1.976 18277 125 1 1 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.433 -0.469 18277 126 1 1 . 1 1 23 23 ALA H H 22 9.658 9.658 8.890 0.768 18277 127 1 1 . 1 1 24 24 LYS N N 23 111.352 111.352 117.323 -5.971 18277 128 1 1 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.088 -0.088 18277 129 1 1 . 1 1 24 24 LYS C C 23 175.467 175.467 176.404 -0.937 18277 130 1 1 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.516 -0.994 18277 131 1 1 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.416 0.890 18277 132 1 1 . 1 1 24 24 LYS H H 23 5.756 5.756 7.970 -2.214 18277 133 1 1 . 1 1 25 25 VAL N N 24 119.937 119.937 119.229 0.708 18277 134 1 1 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.674 -0.296 18277 135 1 1 . 1 1 25 25 VAL C C 24 175.634 175.634 175.413 0.221 18277 136 1 1 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.703 0.760 18277 137 1 1 . 1 1 25 25 VAL CB C 24 32.021 32.021 30.939 1.082 18277 138 1 1 . 1 1 25 25 VAL H H 24 7.179 7.179 7.350 -0.171 18277 139 1 1 . 1 1 26 26 GLU N N 25 127.218 127.218 128.567 -1.349 18277 140 1 1 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.344 0.064 18277 141 1 1 . 1 1 26 26 GLU C C 25 176.448 176.448 176.077 0.371 18277 142 1 1 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.464 0.512 18277 143 1 1 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.551 -0.145 18277 144 1 1 . 1 1 26 26 GLU H H 25 9.017 9.017 8.522 0.495 18277 145 1 1 . 1 1 27 27 ARG N N 26 117.397 117.397 119.739 -2.342 18277 146 1 1 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.557 -0.030 18277 147 1 1 . 1 1 27 27 ARG C C 26 173.508 173.508 174.385 -0.877 18277 148 1 1 . 1 1 27 27 ARG CA C 26 56.216 56.216 55.132 1.084 18277 149 1 1 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.764 1.199 18277 150 1 1 . 1 1 27 27 ARG H H 26 7.521 7.521 7.424 0.097 18277 151 1 1 . 1 1 28 28 ILE N N 27 123.297 123.297 124.323 -1.026 18277 152 1 1 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.383 0.298 18277 153 1 1 . 1 1 28 28 ILE C C 27 173.872 173.872 174.286 -0.414 18277 154 1 1 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.467 0.623 18277 155 1 1 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.528 2.157 18277 156 1 1 . 1 1 28 28 ILE H H 27 8.662 8.662 8.473 0.189 18277 157 1 1 . 1 1 29 29 GLN N N 28 125.810 125.810 127.077 -1.267 18277 158 1 1 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.679 0.073 18277 159 1 1 . 1 1 29 29 GLN C C 28 174.329 174.329 173.681 0.648 18277 160 1 1 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.396 -0.327 18277 161 1 1 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.084 -0.142 18277 162 1 1 . 1 1 29 29 GLN H H 28 9.282 9.282 8.185 1.097 18277 163 1 1 . 1 1 30 30 ASP N N 29 125.001 125.001 123.566 1.435 18277 164 1 1 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.742 0.144 18277 165 1 1 . 1 1 30 30 ASP C C 29 175.522 175.522 175.108 0.414 18277 166 1 1 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.938 2.518 18277 167 1 1 . 1 1 30 30 ASP CB C 29 41.323 41.323 42.691 -1.368 18277 168 1 1 . 1 1 30 30 ASP H H 29 8.666 8.666 8.438 0.228 18277 169 1 1 . 1 1 31 31 VAL N N 30 116.978 116.978 118.094 -1.116 18277 170 1 1 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.551 0.093 18277 171 1 1 . 1 1 31 31 VAL C C 30 175.448 175.448 175.146 0.302 18277 172 1 1 . 1 1 31 31 VAL CA C 30 59.178 59.178 58.987 0.191 18277 173 1 1 . 1 1 31 31 VAL CB C 30 35.124 35.124 35.208 -0.084 18277 174 1 1 . 1 1 31 31 VAL H H 30 7.784 7.784 7.907 -0.123 18277 175 1 1 . 1 1 32 32 GLN N N 31 121.763 121.763 119.292 2.471 18277 176 1 1 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.414 -0.381 18277 177 1 1 . 1 1 32 32 GLN C C 31 176.620 176.620 175.240 1.380 18277 178 1 1 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.112 1.071 18277 179 1 1 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.380 -0.338 18277 180 1 1 . 1 1 32 32 GLN H H 31 8.515 8.515 8.603 -0.088 18277 181 1 1 . 1 1 33 33 ASP N N 32 121.199 121.199 118.439 2.760 18277 182 1 1 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.851 0.124 18277 183 1 1 . 1 1 33 33 ASP C C 32 176.998 176.998 175.243 1.755 18277 184 1 1 . 1 1 33 33 ASP CA C 32 55.528 55.528 53.819 1.710 18277 185 1 1 . 1 1 33 33 ASP CB C 32 40.659 40.659 41.316 -0.658 18277 186 1 1 . 1 1 33 33 ASP H H 32 9.134 9.134 7.983 1.151 18277 187 1 1 . 1 1 34 34 GLY N N 33 106.691 106.691 106.571 0.120 18277 188 1 1 . 1 1 34 34 GLY C C 33 171.453 171.453 172.163 -0.710 18277 189 1 1 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.541 1.824 18277 190 1 1 . 1 1 34 34 GLY H H 33 8.104 8.104 7.652 0.452 18277 191 1 1 . 1 1 35 35 LEU N N 34 119.801 119.801 121.154 -1.353 18277 192 1 1 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.822 0.461 18277 193 1 1 . 1 1 35 35 LEU C C 34 174.568 174.568 173.939 0.629 18277 194 1 1 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.239 -1.671 18277 195 1 1 . 1 1 35 35 LEU CB C 34 49.272 49.272 46.778 2.494 18277 196 1 1 . 1 1 35 35 LEU H H 34 8.491 8.491 7.881 0.610 18277 197 1 1 . 1 1 36 36 GLN N N 35 121.349 121.349 121.864 -0.515 18277 198 1 1 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.385 -0.168 18277 199 1 1 . 1 1 36 36 GLN C C 35 174.530 174.530 174.054 0.476 18277 200 1 1 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.261 0.503 18277 201 1 1 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.060 0.420 18277 202 1 1 . 1 1 36 36 GLN H H 35 8.992 8.992 8.888 0.104 18277 203 1 1 . 1 1 37 37 LEU N N 36 126.882 126.882 126.725 0.157 18277 204 1 1 . 1 1 37 37 LEU HA H 36 5.358 5.358 4.724 0.634 18277 205 1 1 . 1 1 37 37 LEU C C 36 174.519 174.519 175.489 -0.970 18277 206 1 1 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.692 1.239 18277 207 1 1 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.525 0.726 18277 208 1 1 . 1 1 37 37 LEU H H 36 9.826 9.826 8.252 1.574 18277 209 1 1 . 1 1 38 38 ASP N N 37 122.748 122.748 122.017 0.731 18277 210 1 1 . 1 1 38 38 ASP HA H 37 5.449 5.449 5.226 0.223 18277 211 1 1 . 1 1 38 38 ASP C C 37 175.197 175.197 175.168 0.029 18277 212 1 1 . 1 1 38 38 ASP CA C 37 53.379 53.379 52.910 0.469 18277 213 1 1 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.877 0.185 18277 214 1 1 . 1 1 38 38 ASP H H 37 8.556 8.556 8.118 0.438 18277 215 1 1 . 1 1 39 39 VAL N N 38 124.835 124.835 124.890 -0.055 18277 216 1 1 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.794 0.347 18277 217 1 1 . 1 1 39 39 VAL C C 38 174.081 174.081 174.522 -0.441 18277 218 1 1 . 1 1 39 39 VAL CA C 38 60.442 60.442 60.909 -0.467 18277 219 1 1 . 1 1 39 39 VAL CB C 38 34.594 34.594 31.362 3.232 18277 220 1 1 . 1 1 39 39 VAL H H 38 9.495 9.495 8.106 1.389 18277 221 1 1 . 1 1 40 40 ARG N N 39 131.221 131.221 128.107 3.114 18277 222 1 1 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.480 0.036 18277 223 1 1 . 1 1 40 40 ARG C C 39 174.144 174.144 175.949 -1.805 18277 224 1 1 . 1 1 40 40 ARG CA C 39 53.504 53.504 54.573 -1.069 18277 225 1 1 . 1 1 40 40 ARG CB C 39 28.119 28.119 29.157 -1.038 18277 226 1 1 . 1 1 40 40 ARG H H 39 9.046 9.046 8.345 0.701 18277 227 1 1 . 1 1 41 41 LEU N N 40 129.501 129.501 125.035 4.466 18277 228 1 1 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.064 -0.038 18277 229 1 1 . 1 1 41 41 LEU C C 40 176.934 176.934 177.300 -0.366 18277 230 1 1 . 1 1 41 41 LEU CA C 40 57.863 57.863 56.798 1.065 18277 231 1 1 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.357 1.391 18277 232 1 1 . 1 1 41 41 LEU H H 40 7.786 7.786 8.256 -0.470 18277 233 1 1 . 1 1 42 42 LYS N N 41 112.553 112.553 116.109 -3.556 18277 234 1 1 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.493 0.201 18277 235 1 1 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.338 -1.159 18277 236 1 1 . 1 1 42 42 LYS CB C 41 36.003 36.003 34.826 1.177 18277 237 1 1 . 1 1 42 42 LYS H H 41 8.313 8.313 7.795 0.518 18277 238 1 1 . 1 1 43 43 THR HA H 42 3.860 3.860 4.107 -0.247 18277 239 1 1 . 1 1 43 43 THR C C 42 174.883 174.883 174.206 0.677 18277 240 1 1 . 1 1 43 43 THR CA C 42 66.494 66.494 65.374 1.120 18277 241 1 1 . 1 1 43 43 THR CB C 42 68.508 68.508 68.936 -0.428 18277 242 1 1 . 1 1 44 44 ASP N N 43 114.795 114.795 116.696 -1.901 18277 243 1 1 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.876 -0.047 18277 244 1 1 . 1 1 44 44 ASP C C 43 176.791 176.791 175.126 1.665 18277 245 1 1 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.745 -0.824 18277 246 1 1 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.204 0.866 18277 247 1 1 . 1 1 44 44 ASP H H 43 7.759 7.759 8.174 -0.415 18277 248 1 1 . 1 1 45 45 THR N N 44 115.323 115.323 117.656 -2.333 18277 249 1 1 . 1 1 45 45 THR HA H 44 5.303 5.303 4.975 0.328 18277 250 1 1 . 1 1 45 45 THR C C 44 171.480 171.480 172.617 -1.137 18277 251 1 1 . 1 1 45 45 THR CA C 44 62.732 62.732 61.710 1.022 18277 252 1 1 . 1 1 45 45 THR CB C 44 72.378 72.378 71.452 0.926 18277 253 1 1 . 1 1 45 45 THR H H 44 7.551 7.551 8.182 -0.631 18277 254 1 1 . 1 1 46 46 LEU N N 45 130.323 130.323 129.236 1.087 18277 255 1 1 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.151 -0.197 18277 256 1 1 . 1 1 46 46 LEU C C 45 174.048 174.048 173.961 0.087 18277 257 1 1 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.003 0.354 18277 258 1 1 . 1 1 46 46 LEU CB C 45 45.735 45.735 45.633 0.102 18277 259 1 1 . 1 1 46 46 LEU H H 45 9.590 9.590 8.730 0.860 18277 260 1 1 . 1 1 47 47 LEU N N 46 127.468 127.468 127.496 -0.028 18277 261 1 1 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.352 -0.202 18277 262 1 1 . 1 1 47 47 LEU C C 46 173.309 173.309 175.069 -1.760 18277 263 1 1 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.063 0.524 18277 264 1 1 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.776 1.346 18277 265 1 1 . 1 1 47 47 LEU H H 46 9.673 9.673 9.184 0.489 18277 266 1 1 . 1 1 48 48 GLU N N 47 131.371 131.371 128.624 2.747 18277 267 1 1 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.722 0.500 18277 268 1 1 . 1 1 48 48 GLU C C 47 173.970 173.970 174.981 -1.011 18277 269 1 1 . 1 1 48 48 GLU CA C 47 54.673 54.673 55.340 -0.667 18277 270 1 1 . 1 1 48 48 GLU CB C 47 31.910 31.910 29.935 1.975 18277 271 1 1 . 1 1 48 48 GLU H H 47 9.400 9.400 8.825 0.575 18277 272 1 1 . 1 1 49 49 LEU N N 48 129.742 129.742 127.914 1.828 18277 273 1 1 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.575 0.412 18277 274 1 1 . 1 1 49 49 LEU C C 48 174.115 174.115 175.176 -1.061 18277 275 1 1 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.700 -0.027 18277 276 1 1 . 1 1 49 49 LEU CB C 48 45.638 45.638 42.740 2.898 18277 277 1 1 . 1 1 49 49 LEU H H 48 9.433 9.433 8.301 1.132 18277 278 1 1 . 1 1 50 50 HIS N N 49 126.356 126.356 126.370 -0.014 18277 279 1 1 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.392 0.028 18277 280 1 1 . 1 1 50 50 HIS C C 49 174.293 174.293 174.485 -0.192 18277 281 1 1 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.661 1.965 18277 282 1 1 . 1 1 50 50 HIS CB C 49 33.850 33.850 32.114 1.736 18277 283 1 1 . 1 1 50 50 HIS H H 49 9.575 9.575 9.270 0.305 18277 284 1 1 . 1 1 51 51 ILE N N 50 123.679 123.679 125.658 -1.979 18277 285 1 1 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.615 0.631 18277 286 1 1 . 1 1 51 51 ILE C C 50 175.021 175.021 174.243 0.778 18277 287 1 1 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.653 0.939 18277 288 1 1 . 1 1 51 51 ILE CB C 50 40.771 40.771 40.438 0.333 18277 289 1 1 . 1 1 51 51 ILE H H 50 8.991 8.991 8.394 0.597 18277 290 1 1 . 1 1 52 52 TYR N N 51 126.281 126.281 126.025 0.256 18277 291 1 1 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.433 0.038 18277 292 1 1 . 1 1 52 52 TYR C C 51 171.145 171.145 173.145 -2.000 18277 293 1 1 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.763 -0.151 18277 294 1 1 . 1 1 52 52 TYR CB C 51 41.121 41.121 41.082 0.039 18277 295 1 1 . 1 1 52 52 TYR H H 51 9.189 9.189 7.935 1.254 18277 296 1 1 . 1 1 53 53 TYR N N 52 120.025 120.025 123.472 -3.447 18277 297 1 1 . 1 1 53 53 TYR HA H 52 3.807 3.807 3.894 -0.087 18277 298 1 1 . 1 1 53 53 TYR C C 52 173.874 173.874 174.136 -0.262 18277 299 1 1 . 1 1 53 53 TYR CA C 52 56.962 56.962 58.142 -1.179 18277 300 1 1 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.450 0.094 18277 301 1 1 . 1 1 53 53 TYR H H 52 7.985 7.985 8.771 -0.786 18277 302 1 1 . 1 1 54 54 ASP N N 53 127.411 127.411 124.329 3.082 18277 303 1 1 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.871 -0.178 18277 304 1 1 . 1 1 54 54 ASP C C 53 175.962 175.962 175.630 0.332 18277 305 1 1 . 1 1 54 54 ASP CA C 53 52.977 52.977 52.082 0.895 18277 306 1 1 . 1 1 54 54 ASP CB C 53 43.028 43.028 42.636 0.392 18277 307 1 1 . 1 1 54 54 ASP H H 53 7.449 7.449 7.777 -0.328 18277 308 1 1 . 1 1 55 55 HIS N N 54 124.486 124.486 123.778 0.708 18277 309 1 1 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.252 -0.273 18277 310 1 1 . 1 1 55 55 HIS C C 54 175.406 175.406 175.240 0.166 18277 311 1 1 . 1 1 55 55 HIS CA C 54 58.617 58.617 57.193 1.424 18277 312 1 1 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.337 2.080 18277 313 1 1 . 1 1 55 55 HIS H H 54 8.512 8.512 8.778 -0.266 18277 314 1 1 . 1 1 56 56 VAL N N 55 120.625 120.625 119.188 1.437 18277 315 1 1 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.696 -0.160 18277 316 1 1 . 1 1 56 56 VAL C C 55 177.379 177.379 176.607 0.772 18277 317 1 1 . 1 1 56 56 VAL CA C 55 65.174 65.174 65.676 -0.502 18277 318 1 1 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.802 -0.528 18277 319 1 1 . 1 1 56 56 VAL H H 55 8.397 8.397 7.821 0.576 18277 320 1 1 . 1 1 57 57 TYR N N 56 115.771 115.771 114.629 1.142 18277 321 1 1 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.598 -0.332 18277 322 1 1 . 1 1 57 57 TYR C C 56 174.645 174.645 174.781 -0.136 18277 323 1 1 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.770 0.956 18277 324 1 1 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.972 -0.406 18277 325 1 1 . 1 1 57 57 TYR H H 56 7.641 7.641 7.479 0.162 18277 326 1 1 . 1 1 58 58 HIS N N 57 116.177 116.177 115.881 0.296 18277 327 1 1 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.121 -0.374 18277 328 1 1 . 1 1 58 58 HIS C C 57 172.860 172.860 172.947 -0.087 18277 329 1 1 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.762 -1.114 18277 330 1 1 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.098 -1.796 18277 331 1 1 . 1 1 58 58 HIS H H 57 7.764 7.764 7.555 0.209 18277 332 1 1 . 1 1 59 59 VAL N N 58 104.729 104.729 110.628 -5.899 18277 333 1 1 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.420 0.280 18277 334 1 1 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.351 -2.019 18277 335 1 1 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.603 0.610 18277 336 1 1 . 1 1 59 59 VAL H H 58 6.310 6.310 7.332 -1.022 18277 337 1 1 . 1 1 60 60 PRO HA H 59 4.345 4.345 3.903 0.442 18277 338 1 1 . 1 1 60 60 PRO C C 59 174.254 174.254 175.399 -1.145 18277 339 1 1 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.715 -0.125 18277 340 1 1 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.594 -1.818 18277 341 1 1 . 1 1 61 61 SER N N 60 116.530 116.530 114.187 2.343 18277 342 1 1 . 1 1 61 61 SER HA H 60 4.899 4.899 4.565 0.334 18277 343 1 1 . 1 1 61 61 SER CA C 60 57.691 57.691 56.677 1.014 18277 344 1 1 . 1 1 61 61 SER CB C 60 66.483 66.483 65.961 0.522 18277 345 1 1 . 1 1 61 61 SER H H 60 8.854 8.854 8.152 0.702 18277 346 1 1 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.476 1.228 18277 347 1 1 . 1 1 62 62 ILE C C 61 176.160 176.160 173.887 2.273 18277 348 1 1 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.243 -1.325 18277 349 1 1 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.489 0.300 18277 350 1 1 . 1 1 63 63 LYS N N 62 123.794 123.794 128.288 -4.494 18277 351 1 1 . 1 1 63 63 LYS HA H 62 5.694 5.694 5.000 0.694 18277 352 1 1 . 1 1 63 63 LYS C C 62 174.598 174.598 174.546 0.052 18277 353 1 1 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.380 -0.872 18277 354 1 1 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.519 0.184 18277 355 1 1 . 1 1 63 63 LYS H H 62 9.011 9.011 9.208 -0.197 18277 356 1 1 . 1 1 64 64 PHE N N 63 116.267 116.267 122.893 -6.626 18277 357 1 1 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.655 0.658 18277 358 1 1 . 1 1 64 64 PHE C C 63 173.139 173.139 173.831 -0.692 18277 359 1 1 . 1 1 64 64 PHE CA C 63 56.593 56.593 54.763 1.830 18277 360 1 1 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.899 0.042 18277 361 1 1 . 1 1 64 64 PHE H H 63 9.776 9.776 7.659 2.117 18277 362 1 1 . 1 1 65 65 ARG N N 64 116.428 116.428 118.658 -2.230 18277 363 1 1 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.943 -0.162 18277 364 1 1 . 1 1 65 65 ARG C C 64 173.867 173.867 174.513 -0.646 18277 365 1 1 . 1 1 65 65 ARG CA C 64 55.757 55.757 55.013 0.744 18277 366 1 1 . 1 1 65 65 ARG CB C 64 35.068 35.068 34.302 0.766 18277 367 1 1 . 1 1 65 65 ARG H H 64 9.257 9.257 8.267 0.990 18277 368 1 1 . 1 1 66 66 LEU N N 65 121.826 121.826 123.092 -1.266 18277 369 1 1 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.666 0.783 18277 370 1 1 . 1 1 66 66 LEU C C 65 174.002 174.002 176.473 -2.471 18277 371 1 1 . 1 1 66 66 LEU CA C 65 53.826 53.826 54.976 -1.150 18277 372 1 1 . 1 1 66 66 LEU CB C 65 46.672 46.672 43.106 3.566 18277 373 1 1 . 1 1 66 66 LEU H H 65 9.041 9.041 8.813 0.228 18277 374 1 1 . 1 1 67 67 TRP N N 66 120.671 120.671 122.374 -1.703 18277 375 1 1 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.134 0.189 18277 376 1 1 . 1 1 67 67 TRP C C 66 175.763 175.763 175.501 0.262 18277 377 1 1 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.562 -1.480 18277 378 1 1 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.892 -0.721 18277 379 1 1 . 1 1 67 67 TRP H H 66 9.366 9.366 9.179 0.187 18277 380 1 1 . 1 1 68 68 SER N N 67 117.273 117.273 117.600 -0.327 18277 381 1 1 . 1 1 68 68 SER HA H 67 5.297 5.297 5.206 0.091 18277 382 1 1 . 1 1 68 68 SER C C 67 174.327 174.327 174.339 -0.012 18277 383 1 1 . 1 1 68 68 SER CA C 67 56.883 56.883 56.483 0.400 18277 384 1 1 . 1 1 68 68 SER CB C 67 65.230 65.230 63.865 1.365 18277 385 1 1 . 1 1 68 68 SER H H 67 9.750 9.750 9.379 0.371 18277 386 1 1 . 1 1 69 69 LEU N N 68 126.002 126.002 130.223 -4.221 18277 387 1 1 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.476 0.282 18277 388 1 1 . 1 1 69 69 LEU C C 68 176.022 176.022 176.357 -0.335 18277 389 1 1 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.890 -1.511 18277 390 1 1 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.423 0.948 18277 391 1 1 . 1 1 69 69 LEU H H 68 8.119 8.119 7.969 0.150 18277 392 1 1 . 1 1 70 70 ASP N N 69 124.828 124.828 125.067 -0.239 18277 393 1 1 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.975 -0.194 18277 394 1 1 . 1 1 70 70 ASP C C 69 176.396 176.396 175.915 0.481 18277 395 1 1 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.188 1.196 18277 396 1 1 . 1 1 70 70 ASP CB C 69 41.992 41.992 43.010 -1.018 18277 397 1 1 . 1 1 70 70 ASP H H 69 8.572 8.572 8.156 0.416 18277 398 1 1 . 1 1 71 71 THR N N 70 114.913 114.913 114.428 0.485 18277 399 1 1 . 1 1 71 71 THR HA H 70 4.531 4.531 4.478 0.053 18277 400 1 1 . 1 1 71 71 THR C C 70 174.451 174.451 175.283 -0.832 18277 401 1 1 . 1 1 71 71 THR CA C 70 61.742 61.742 60.633 1.109 18277 402 1 1 . 1 1 71 71 THR CB C 70 69.950 69.950 68.744 1.206 18277 403 1 1 . 1 1 71 71 THR H H 70 8.403 8.403 8.440 -0.037 18277 404 1 1 . 1 1 72 72 GLU N N 71 123.605 123.605 121.958 1.647 18277 405 1 1 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.059 0.181 18277 406 1 1 . 1 1 72 72 GLU C C 71 176.451 176.451 177.281 -0.830 18277 407 1 1 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.918 -1.711 18277 408 1 1 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.484 0.926 18277 409 1 1 . 1 1 72 72 GLU H H 71 8.542 8.542 8.624 -0.082 18277 410 1 1 . 1 1 73 73 GLU N N 72 119.641 119.641 117.199 2.442 18277 411 1 1 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.407 -0.296 18277 412 1 1 . 1 1 73 73 GLU C C 72 175.577 175.577 175.763 -0.186 18277 413 1 1 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.008 1.089 18277 414 1 1 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.355 -1.012 18277 415 1 1 . 1 1 73 73 GLU H H 72 8.503 8.503 8.104 0.399 18277 416 1 1 . 1 1 74 74 ASP N N 73 117.882 117.882 118.255 -0.373 18277 417 1 1 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.436 0.135 18277 418 1 1 . 1 1 74 74 ASP C C 73 176.077 176.077 175.387 0.690 18277 419 1 1 . 1 1 74 74 ASP CA C 73 54.494 54.494 54.764 -0.270 18277 420 1 1 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.611 1.327 18277 421 1 1 . 1 1 74 74 ASP H H 73 8.228 8.228 8.143 0.085 18277 422 1 1 . 1 1 75 75 ILE N N 74 120.809 120.809 115.506 5.303 18277 423 1 1 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.335 -0.126 18277 424 1 1 . 1 1 75 75 ILE C C 74 175.939 175.939 176.035 -0.096 18277 425 1 1 . 1 1 75 75 ILE CA C 74 61.326 61.326 61.083 0.243 18277 426 1 1 . 1 1 75 75 ILE CB C 74 38.669 38.669 37.978 0.690 18277 427 1 1 . 1 1 75 75 ILE H H 74 8.089 8.089 8.062 0.027 18277 428 1 1 . 1 1 76 76 SER N N 75 119.402 119.402 116.764 2.638 18277 429 1 1 . 1 1 76 76 SER HA H 75 4.652 4.652 4.189 0.463 18277 430 1 1 . 1 1 76 76 SER C C 75 174.313 174.313 174.239 0.074 18277 431 1 1 . 1 1 76 76 SER CA C 75 58.778 58.778 58.437 0.341 18277 432 1 1 . 1 1 76 76 SER CB C 75 63.860 63.860 63.196 0.664 18277 433 1 1 . 1 1 76 76 SER H H 75 8.449 8.449 8.185 0.264 18277 434 1 1 . 1 1 77 77 SER N N 76 118.644 118.644 115.441 3.203 18277 435 1 1 . 1 1 77 77 SER HA H 76 4.588 4.588 4.597 -0.009 18277 436 1 1 . 1 1 77 77 SER C C 76 173.094 173.094 173.513 -0.419 18277 437 1 1 . 1 1 77 77 SER CA C 76 57.772 57.772 58.289 -0.517 18277 438 1 1 . 1 1 77 77 SER CB C 76 64.461 64.461 64.559 -0.098 18277 439 1 1 . 1 1 77 77 SER H H 76 8.280 8.280 7.822 0.458 18277 440 1 1 . 1 1 78 78 LEU N N 77 123.896 123.896 114.525 9.371 18277 441 1 1 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.141 -0.143 18277 442 1 1 . 1 1 78 78 LEU C C 77 177.081 177.081 175.307 1.774 18277 443 1 1 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.292 0.716 18277 444 1 1 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.389 -1.368 18277 445 1 1 . 1 1 78 78 LEU H H 77 7.981 7.981 8.176 -0.195 18277 446 1 1 . 1 1 79 79 ARG N N 78 123.195 123.195 120.420 2.775 18277 447 1 1 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.828 0.131 18277 448 1 1 . 1 1 79 79 ARG C C 78 174.994 174.994 174.534 0.460 18277 449 1 1 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.242 -0.578 18277 450 1 1 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.242 0.038 18277 451 1 1 . 1 1 79 79 ARG H H 78 9.013 9.013 8.267 0.746 18277 452 1 1 . 1 1 80 80 LEU N N 79 128.388 128.388 126.287 2.101 18277 453 1 1 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.768 0.010 18277 454 1 1 . 1 1 80 80 LEU C C 79 177.216 177.216 175.606 1.610 18277 455 1 1 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.844 0.205 18277 456 1 1 . 1 1 80 80 LEU CB C 79 42.285 42.285 42.145 0.140 18277 457 1 1 . 1 1 80 80 LEU H H 79 8.807 8.807 8.578 0.229 18277 458 1 1 . 1 1 81 81 LEU N N 80 127.521 127.521 126.241 1.280 18277 459 1 1 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.765 -0.202 18277 460 1 1 . 1 1 81 81 LEU C C 80 176.354 176.354 175.814 0.540 18277 461 1 1 . 1 1 81 81 LEU CA C 80 54.161 54.161 53.822 0.339 18277 462 1 1 . 1 1 81 81 LEU CB C 80 43.410 43.410 44.387 -0.977 18277 463 1 1 . 1 1 81 81 LEU H H 80 8.478 8.478 8.356 0.122 18277 464 1 1 . 1 1 82 82 THR N N 81 121.108 121.108 113.104 8.004 18277 465 1 1 . 1 1 82 82 THR HA H 81 4.391 4.391 4.640 -0.249 18277 466 1 1 . 1 1 82 82 THR C C 81 173.678 173.678 173.441 0.237 18277 467 1 1 . 1 1 82 82 THR CA C 81 61.112 61.112 61.306 -0.194 18277 468 1 1 . 1 1 82 82 THR CB C 81 68.941 68.941 69.657 -0.716 18277 469 1 1 . 1 1 82 82 THR H H 81 8.735 8.735 8.046 0.689 18277 470 1 1 . 1 1 83 83 LEU N N 82 125.276 125.276 123.014 2.262 18277 471 1 1 . 1 1 83 83 LEU HA H 82 4.771 4.771 5.005 -0.234 18277 472 1 1 . 1 1 83 83 LEU C C 82 177.192 177.192 175.319 1.873 18277 473 1 1 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.463 -0.049 18277 474 1 1 . 1 1 83 83 LEU CB C 82 44.525 44.525 44.573 -0.048 18277 475 1 1 . 1 1 83 83 LEU H H 82 7.985 7.985 8.314 -0.329 18277 476 1 1 . 1 1 84 84 SER N N 83 118.590 118.590 115.720 2.870 18277 477 1 1 . 1 1 84 84 SER HA H 83 4.591 4.591 4.408 0.183 18277 478 1 1 . 1 1 84 84 SER C C 83 174.317 174.317 175.010 -0.693 18277 479 1 1 . 1 1 84 84 SER CA C 83 57.202 57.202 58.572 -1.370 18277 480 1 1 . 1 1 84 84 SER CB C 83 65.345 65.345 63.947 1.398 18277 481 1 1 . 1 1 84 84 SER H H 83 9.214 9.214 8.733 0.481 18277 482 1 1 . 1 1 85 85 ASP N N 84 121.149 121.149 121.552 -0.403 18277 483 1 1 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.477 -0.134 18277 484 1 1 . 1 1 85 85 ASP C C 84 178.027 178.027 178.337 -0.310 18277 485 1 1 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.992 0.799 18277 486 1 1 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.646 1.340 18277 487 1 1 . 1 1 85 85 ASP H H 84 9.014 9.014 8.737 0.277 18277 488 1 1 . 1 1 86 86 SER N N 85 111.874 111.874 114.054 -2.180 18277 489 1 1 . 1 1 86 86 SER HA H 85 4.110 4.110 4.192 -0.082 18277 490 1 1 . 1 1 86 86 SER C C 85 177.696 177.696 176.193 1.503 18277 491 1 1 . 1 1 86 86 SER CA C 85 61.560 61.560 61.336 0.224 18277 492 1 1 . 1 1 86 86 SER CB C 85 62.355 62.355 63.011 -0.656 18277 493 1 1 . 1 1 86 86 SER H H 85 8.467 8.467 8.282 0.185 18277 494 1 1 . 1 1 87 87 GLU N N 86 122.948 122.948 118.957 3.991 18277 495 1 1 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.237 -0.160 18277 496 1 1 . 1 1 87 87 GLU C C 86 180.335 180.335 178.643 1.692 18277 497 1 1 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.209 0.827 18277 498 1 1 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.596 1.222 18277 499 1 1 . 1 1 87 87 GLU H H 86 7.660 7.660 8.426 -0.766 18277 500 1 1 . 1 1 88 88 LEU N N 87 122.341 122.341 121.434 0.907 18277 501 1 1 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.235 -0.352 18277 502 1 1 . 1 1 88 88 LEU C C 87 178.818 178.818 177.641 1.177 18277 503 1 1 . 1 1 88 88 LEU CA C 87 58.074 58.074 56.802 1.272 18277 504 1 1 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.516 0.855 18277 505 1 1 . 1 1 88 88 LEU H H 87 8.878 8.878 8.357 0.521 18277 506 1 1 . 1 1 89 89 ARG N N 88 115.874 115.874 119.093 -3.219 18277 507 1 1 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.223 -0.097 18277 508 1 1 . 1 1 89 89 ARG C C 88 176.552 176.552 177.672 -1.120 18277 509 1 1 . 1 1 89 89 ARG CA C 88 58.720 58.720 57.565 1.155 18277 510 1 1 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.750 0.035 18277 511 1 1 . 1 1 89 89 ARG H H 88 7.956 7.956 8.463 -0.507 18277 512 1 1 . 1 1 90 90 SER N N 89 112.295 112.295 112.867 -0.572 18277 513 1 1 . 1 1 90 90 SER HA H 89 4.565 4.565 4.238 0.327 18277 514 1 1 . 1 1 90 90 SER C C 89 174.817 174.817 175.265 -0.448 18277 515 1 1 . 1 1 90 90 SER CA C 89 60.043 60.043 60.326 -0.283 18277 516 1 1 . 1 1 90 90 SER CB C 89 63.858 63.858 63.100 0.758 18277 517 1 1 . 1 1 90 90 SER H H 89 7.481 7.481 7.470 0.011 18277 518 1 1 . 1 1 91 91 ILE N N 90 116.577 116.577 113.139 3.438 18277 519 1 1 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.276 0.162 18277 520 1 1 . 1 1 91 91 ILE C C 90 174.636 174.636 175.397 -0.761 18277 521 1 1 . 1 1 91 91 ILE CA C 90 62.262 62.262 60.764 1.498 18277 522 1 1 . 1 1 91 91 ILE CB C 90 40.609 40.609 39.260 1.349 18277 523 1 1 . 1 1 91 91 ILE H H 90 7.372 7.372 7.129 0.243 18277 524 1 1 . 1 1 92 92 LEU N N 91 119.723 119.723 119.413 0.310 18277 525 1 1 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.294 0.347 18277 526 1 1 . 1 1 92 92 LEU C C 91 175.178 175.178 176.096 -0.918 18277 527 1 1 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.231 -1.418 18277 528 1 1 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.786 0.887 18277 529 1 1 . 1 1 92 92 LEU H H 91 7.900 7.900 7.486 0.414 18277 530 1 1 . 1 1 93 93 ASN N N 92 119.687 119.687 119.222 0.465 18277 531 1 1 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.911 0.072 18277 532 1 1 . 1 1 93 93 ASN C C 92 174.978 174.978 174.617 0.361 18277 533 1 1 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.215 -0.844 18277 534 1 1 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.537 -1.806 18277 535 1 1 . 1 1 93 93 ASN H H 92 8.916 8.916 8.471 0.445 18277 536 1 1 . 1 1 94 94 LEU N N 93 121.052 121.052 123.520 -2.468 18277 537 1 1 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.472 -0.526 18277 538 1 1 . 1 1 94 94 LEU C C 93 177.367 177.367 178.259 -0.892 18277 539 1 1 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.364 0.687 18277 540 1 1 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.232 0.540 18277 541 1 1 . 1 1 94 94 LEU H H 93 8.172 8.172 8.744 -0.572 18277 542 1 1 . 1 1 95 95 GLY N N 94 105.340 105.340 107.272 -1.932 18277 543 1 1 . 1 1 95 95 GLY C C 94 176.133 176.133 175.821 0.312 18277 544 1 1 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.137 0.212 18277 545 1 1 . 1 1 95 95 GLY H H 94 8.281 8.281 8.157 0.124 18277 546 1 1 . 1 1 96 96 THR N N 95 117.040 117.040 117.431 -0.391 18277 547 1 1 . 1 1 96 96 THR HA H 95 4.242 4.242 4.594 -0.352 18277 548 1 1 . 1 1 96 96 THR C C 95 175.349 175.349 174.869 0.480 18277 549 1 1 . 1 1 96 96 THR CA C 95 61.859 61.859 60.744 1.115 18277 550 1 1 . 1 1 96 96 THR CB C 95 68.399 68.399 69.699 -1.300 18277 551 1 1 . 1 1 96 96 THR H H 95 8.419 8.419 7.791 0.628 18277 552 1 1 . 1 1 97 97 PHE N N 96 122.590 122.590 122.701 -0.111 18277 553 1 1 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.490 0.232 18277 554 1 1 . 1 1 97 97 PHE C C 96 174.704 174.704 175.623 -0.919 18277 555 1 1 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.108 -0.508 18277 556 1 1 . 1 1 97 97 PHE CB C 96 39.149 39.149 39.947 -0.798 18277 557 1 1 . 1 1 97 97 PHE H H 96 8.517 8.517 8.414 0.103 18277 558 1 1 . 1 1 98 98 SER N N 97 114.201 114.201 114.485 -0.284 18277 559 1 1 . 1 1 98 98 SER HA H 97 4.859 4.859 4.728 0.131 18277 560 1 1 . 1 1 98 98 SER C C 97 173.002 173.002 172.471 0.531 18277 561 1 1 . 1 1 98 98 SER CA C 97 57.346 57.346 58.175 -0.829 18277 562 1 1 . 1 1 98 98 SER CB C 97 65.739 65.739 66.308 -0.569 18277 563 1 1 . 1 1 98 98 SER H H 97 9.129 9.129 8.645 0.484 18277 564 1 1 . 1 1 99 99 VAL N N 98 120.191 120.191 122.486 -2.295 18277 565 1 1 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.705 0.814 18277 566 1 1 . 1 1 99 99 VAL C C 98 175.574 175.574 174.574 1.000 18277 567 1 1 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.115 -0.725 18277 568 1 1 . 1 1 99 99 VAL CB C 98 35.426 35.426 36.301 -0.875 18277 569 1 1 . 1 1 99 99 VAL H H 98 8.655 8.655 8.738 -0.083 18277 570 1 1 . 1 1 100 100 THR N N 99 120.623 120.623 122.655 -2.032 18277 571 1 1 . 1 1 100 100 THR HA H 99 4.729 4.729 4.712 0.017 18277 572 1 1 . 1 1 100 100 THR C C 99 172.605 172.605 172.465 0.140 18277 573 1 1 . 1 1 100 100 THR CA C 99 61.114 61.114 61.566 -0.452 18277 574 1 1 . 1 1 100 100 THR CB C 99 71.850 71.850 69.811 2.039 18277 575 1 1 . 1 1 100 100 THR H H 99 8.997 8.997 8.787 0.210 18277 576 1 1 . 1 1 101 101 LEU N N 100 127.613 127.613 129.761 -2.148 18277 577 1 1 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.218 -0.269 18277 578 1 1 . 1 1 101 101 LEU C C 100 176.666 176.666 175.820 0.846 18277 579 1 1 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.579 1.110 18277 580 1 1 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.182 -0.016 18277 581 1 1 . 1 1 101 101 LEU H H 100 8.766 8.766 8.597 0.169 18277 582 1 1 . 1 1 102 102 SER N N 101 119.771 119.771 121.693 -1.922 18277 583 1 1 . 1 1 102 102 SER HA H 101 4.749 4.749 4.904 -0.155 18277 584 1 1 . 1 1 102 102 SER C C 101 173.477 173.477 173.231 0.246 18277 585 1 1 . 1 1 102 102 SER CA C 101 57.514 57.514 56.677 0.837 18277 586 1 1 . 1 1 102 102 SER CB C 101 65.024 65.024 65.498 -0.474 18277 587 1 1 . 1 1 102 102 SER H H 101 8.926 8.926 8.569 0.357 18277 588 1 1 . 1 1 103 103 THR N N 102 117.853 117.853 117.191 0.662 18277 589 1 1 . 1 1 103 103 THR HA H 102 4.618 4.618 4.777 -0.159 18277 590 1 1 . 1 1 103 103 THR C C 102 174.020 174.020 174.098 -0.078 18277 591 1 1 . 1 1 103 103 THR CA C 102 61.991 61.991 60.618 1.373 18277 592 1 1 . 1 1 103 103 THR CB C 102 69.972 69.972 70.449 -0.477 18277 593 1 1 . 1 1 103 103 THR H H 102 8.409 8.409 8.454 -0.045 18277 594 1 1 . 1 1 104 104 ASP N N 103 125.295 125.295 120.931 4.364 18277 595 1 1 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.896 -0.188 18277 596 1 1 . 1 1 104 104 ASP C C 103 176.908 176.908 178.202 -1.294 18277 597 1 1 . 1 1 104 104 ASP CA C 103 53.559 53.559 53.130 0.429 18277 598 1 1 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.742 -0.497 18277 599 1 1 . 1 1 104 104 ASP H H 103 8.598 8.598 8.798 -0.200 18277 600 1 1 . 1 1 105 105 MET N N 104 122.470 122.470 121.810 0.660 18277 601 1 1 . 1 1 105 105 MET HA H 104 4.270 4.270 4.244 0.026 18277 602 1 1 . 1 1 105 105 MET C C 104 177.354 177.354 177.009 0.345 18277 603 1 1 . 1 1 105 105 MET CA C 104 57.300 57.300 58.184 -0.884 18277 604 1 1 . 1 1 105 105 MET CB C 104 32.108 32.108 32.676 -0.568 18277 605 1 1 . 1 1 105 105 MET H H 104 8.719 8.719 8.632 0.087 18277 606 1 1 . 1 1 106 106 GLU N N 105 118.752 118.752 118.660 0.092 18277 607 1 1 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.203 0.033 18277 608 1 1 . 1 1 106 106 GLU C C 105 177.172 177.172 176.669 0.503 18277 609 1 1 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.361 1.368 18277 610 1 1 . 1 1 106 106 GLU CB C 105 29.776 29.776 30.112 -0.336 18277 611 1 1 . 1 1 106 106 GLU H H 105 8.306 8.306 7.994 0.312 18277 612 1 1 . 1 1 107 107 MET N N 106 116.736 116.736 115.574 1.162 18277 613 1 1 . 1 1 107 107 MET HA H 106 4.329 4.329 4.079 0.250 18277 614 1 1 . 1 1 107 107 MET C C 106 176.319 176.319 175.227 1.092 18277 615 1 1 . 1 1 107 107 MET CA C 106 55.514 55.514 56.446 -0.932 18277 616 1 1 . 1 1 107 107 MET CB C 106 31.566 31.566 31.196 0.370 18277 617 1 1 . 1 1 107 107 MET H H 106 8.206 8.206 8.058 0.148 18277 618 1 1 . 1 1 108 108 LYS N N 107 117.661 117.661 118.364 -0.703 18277 619 1 1 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.284 -0.198 18277 620 1 1 . 1 1 108 108 LYS C C 107 176.049 176.049 175.985 0.064 18277 621 1 1 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.132 0.968 18277 622 1 1 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.964 -2.074 18277 623 1 1 . 1 1 108 108 LYS H H 107 8.382 8.382 8.273 0.109 18277 624 1 1 . 1 1 109 109 SER N N 108 113.019 113.019 113.606 -0.587 18277 625 1 1 . 1 1 109 109 SER HA H 108 4.566 4.566 4.519 0.048 18277 626 1 1 . 1 1 109 109 SER C C 108 172.969 172.969 171.998 0.971 18277 627 1 1 . 1 1 109 109 SER CA C 108 56.997 56.997 56.634 0.363 18277 628 1 1 . 1 1 109 109 SER CB C 108 65.035 65.035 64.794 0.241 18277 629 1 1 . 1 1 109 109 SER H H 108 7.892 7.892 7.441 0.451 18277 630 1 1 . 1 1 110 110 VAL N N 109 121.915 121.915 122.671 -0.756 18277 631 1 1 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.721 -0.319 18277 632 1 1 . 1 1 110 110 VAL C C 109 174.706 174.706 173.039 1.667 18277 633 1 1 . 1 1 110 110 VAL CA C 109 61.974 61.974 59.384 2.590 18277 634 1 1 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.249 -2.169 18277 635 1 1 . 1 1 110 110 VAL H H 109 7.878 7.878 7.637 0.241 18277 636 1 1 . 1 1 111 111 TYR N N 110 122.247 122.247 119.995 2.252 18277 637 1 1 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.559 -0.223 18277 638 1 1 . 1 1 111 111 TYR C C 110 173.915 173.915 173.908 0.007 18277 639 1 1 . 1 1 111 111 TYR CA C 110 57.263 57.263 56.057 1.206 18277 640 1 1 . 1 1 111 111 TYR CB C 110 43.222 43.222 41.235 1.987 18277 641 1 1 . 1 1 111 111 TYR H H 110 8.317 8.317 8.335 -0.018 18277 642 1 1 . 1 1 112 112 TYR N N 111 117.096 117.096 118.690 -1.594 18277 643 1 1 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.528 0.341 18277 644 1 1 . 1 1 112 112 TYR C C 111 175.418 175.418 174.877 0.541 18277 645 1 1 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.413 0.770 18277 646 1 1 . 1 1 112 112 TYR CB C 111 38.681 38.681 37.115 1.566 18277 647 1 1 . 1 1 112 112 TYR H H 111 8.690 8.690 8.408 0.282 18277 648 1 1 . 1 1 113 113 TYR N N 112 120.208 120.208 123.018 -2.810 18277 649 1 1 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.833 0.106 18277 650 1 1 . 1 1 113 113 TYR C C 112 176.674 176.674 176.573 0.101 18277 651 1 1 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.094 -0.527 18277 652 1 1 . 1 1 113 113 TYR CB C 112 39.924 39.924 36.840 3.084 18277 653 1 1 . 1 1 113 113 TYR H H 112 9.374 9.374 8.475 0.899 18277 654 1 1 . 1 1 114 114 ILE N N 113 121.490 121.490 125.454 -3.964 18277 655 1 1 . 1 1 114 114 ILE HA H 113 4.821 4.821 3.975 0.846 18277 656 1 1 . 1 1 114 114 ILE C C 113 176.329 176.329 176.273 0.056 18277 657 1 1 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.124 -2.085 18277 658 1 1 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.381 -1.416 18277 659 1 1 . 1 1 114 114 ILE H H 113 8.076 8.076 8.321 -0.245 18277 660 1 1 . 1 1 115 115 ASN N N 114 129.212 129.212 126.456 2.756 18277 661 1 1 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.601 0.100 18277 662 1 1 . 1 1 115 115 ASN C C 114 175.914 175.914 174.602 1.312 18277 663 1 1 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.570 0.452 18277 664 1 1 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.586 -0.037 18277 665 1 1 . 1 1 115 115 ASN H H 114 8.959 8.959 8.646 0.313 18277 666 1 1 . 1 1 116 116 ASN N N 115 121.613 121.613 121.604 0.009 18277 667 1 1 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.190 -0.321 18277 668 1 1 . 1 1 116 116 ASN C C 115 178.040 178.040 174.891 3.149 18277 669 1 1 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.731 0.049 18277 670 1 1 . 1 1 116 116 ASN CB C 115 39.096 39.096 38.598 0.498 18277 671 1 1 . 1 1 116 116 ASN H H 115 8.464 8.464 8.449 0.015 18277 672 1 1 . 1 1 117 117 CYS N N 116 120.777 120.777 116.441 4.336 18277 673 1 1 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.561 0.183 18277 674 1 1 . 1 1 117 117 CYS C C 116 174.635 174.635 174.066 0.569 18277 675 1 1 . 1 1 117 117 CYS CA C 116 60.087 60.087 58.396 1.691 18277 676 1 1 . 1 1 117 117 CYS CB C 116 27.456 27.456 28.094 -0.638 18277 677 1 1 . 1 1 117 117 CYS H H 116 8.256 8.256 7.731 0.525 18277 678 1 1 . 1 1 118 118 ASP N N 117 119.926 119.926 121.079 -1.153 18277 679 1 1 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.885 0.014 18277 680 1 1 . 1 1 118 118 ASP C C 117 176.225 176.225 175.581 0.644 18277 681 1 1 . 1 1 118 118 ASP CA C 117 53.410 53.410 52.950 0.460 18277 682 1 1 . 1 1 118 118 ASP CB C 117 40.174 40.174 40.415 -0.241 18277 683 1 1 . 1 1 118 118 ASP H H 117 8.420 8.420 7.948 0.472 18277 684 1 1 . 1 1 119 119 THR N N 118 116.185 116.185 116.969 -0.784 18277 685 1 1 . 1 1 119 119 THR HA H 118 4.315 4.315 4.378 -0.063 18277 686 1 1 . 1 1 119 119 THR C C 118 175.349 175.349 175.418 -0.069 18277 687 1 1 . 1 1 119 119 THR CA C 118 66.029 66.029 64.663 1.366 18277 688 1 1 . 1 1 119 119 THR CB C 118 69.654 69.654 69.517 0.137 18277 689 1 1 . 1 1 119 119 THR H H 118 7.712 7.712 7.982 -0.270 18277 690 1 1 . 1 1 120 120 ASP N N 119 120.938 120.938 120.315 0.623 18277 691 1 1 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.782 -0.249 18277 692 1 1 . 1 1 120 120 ASP C C 119 177.991 177.991 177.464 0.527 18277 693 1 1 . 1 1 120 120 ASP CA C 119 56.906 56.906 56.981 -0.075 18277 694 1 1 . 1 1 120 120 ASP CB C 119 40.937 40.937 39.571 1.366 18277 695 1 1 . 1 1 120 120 ASP H H 119 8.730 8.730 8.757 -0.027 18277 696 1 1 . 1 1 121 121 ALA N N 120 122.818 122.818 121.040 1.778 18277 697 1 1 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.164 0.014 18277 698 1 1 . 1 1 121 121 ALA C C 120 178.787 178.787 178.773 0.014 18277 699 1 1 . 1 1 121 121 ALA CA C 120 53.891 53.891 54.429 -0.538 18277 700 1 1 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.474 -0.003 18277 701 1 1 . 1 1 121 121 ALA H H 120 8.033 8.033 8.027 0.006 18277 702 1 1 . 1 1 122 122 ASN N N 121 116.085 116.085 116.729 -0.644 18277 703 1 1 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.737 -0.103 18277 704 1 1 . 1 1 122 122 ASN C C 121 176.235 176.235 177.194 -0.959 18277 705 1 1 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.392 0.104 18277 706 1 1 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.389 -0.500 18277 707 1 1 . 1 1 122 122 ASN H H 121 8.128 8.128 8.221 -0.093 18277 708 1 1 . 1 1 123 123 VAL N N 122 117.803 117.803 118.050 -0.247 18277 709 1 1 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.756 0.206 18277 710 1 1 . 1 1 123 123 VAL C C 122 176.973 176.973 176.937 0.036 18277 711 1 1 . 1 1 123 123 VAL CA C 122 63.916 63.916 65.373 -1.457 18277 712 1 1 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.108 0.787 18277 713 1 1 . 1 1 123 123 VAL H H 122 8.262 8.262 8.390 -0.128 18277 714 1 1 . 1 1 124 124 GLY N N 123 110.472 110.472 104.432 6.040 18277 715 1 1 . 1 1 124 124 GLY C C 123 174.107 174.107 173.849 0.258 18277 716 1 1 . 1 1 124 124 GLY CA C 123 45.401 45.401 44.759 0.642 18277 717 1 1 . 1 1 124 124 GLY H H 123 8.172 8.172 7.558 0.614 18277 718 1 1 . 1 1 125 125 SER N N 124 113.065 113.065 116.539 -3.474 18277 719 1 1 . 1 1 125 125 SER HA H 124 4.529 4.529 4.785 -0.256 18277 720 1 1 . 1 1 125 125 SER C C 124 174.664 174.664 174.058 0.606 18277 721 1 1 . 1 1 125 125 SER CA C 124 58.981 58.981 58.862 0.118 18277 722 1 1 . 1 1 125 125 SER CB C 124 64.492 64.492 64.232 0.260 18277 723 1 1 . 1 1 125 125 SER H H 124 8.139 8.139 8.459 -0.320 18277 724 1 1 . 1 1 126 126 ASP N N 125 121.312 121.312 124.017 -2.705 18277 725 1 1 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.538 0.169 18277 726 1 1 . 1 1 126 126 ASP C C 125 177.029 177.029 176.730 0.299 18277 727 1 1 . 1 1 126 126 ASP CA C 125 54.232 54.232 55.328 -1.096 18277 728 1 1 . 1 1 126 126 ASP CB C 125 40.878 40.878 39.927 0.951 18277 729 1 1 . 1 1 126 126 ASP H H 125 8.146 8.146 8.211 -0.065 18277 730 1 1 . 1 1 127 127 VAL N N 126 123.444 123.444 122.687 0.757 18277 731 1 1 . 1 1 127 127 VAL HA H 126 3.826 3.826 4.195 -0.369 18277 732 1 1 . 1 1 127 127 VAL C C 126 177.304 177.304 177.688 -0.384 18277 733 1 1 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.441 1.458 18277 734 1 1 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.820 0.402 18277 735 1 1 . 1 1 127 127 VAL H H 126 8.474 8.474 8.222 0.252 18277 736 1 1 . 1 1 128 128 GLU N N 127 120.874 120.874 120.769 0.105 18277 737 1 1 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.311 -0.378 18277 738 1 1 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.763 -0.103 18277 739 1 1 . 1 1 128 128 GLU CB C 127 29.080 29.080 30.045 -0.965 18277 740 1 1 . 1 1 128 128 GLU H H 127 8.504 8.504 8.585 -0.081 18277 741 1 1 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.884 -0.135 18277 742 1 1 . 1 1 129 129 HIS C C 128 174.898 174.898 175.001 -0.103 18277 743 1 1 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.726 1.722 18277 744 1 1 . 1 1 129 129 HIS CB C 128 29.045 29.045 29.305 -0.260 18277 745 1 1 . 1 1 130 130 TYR N N 129 122.615 122.615 123.061 -0.446 18277 746 1 1 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.400 -0.400 18277 747 1 1 . 1 1 130 130 TYR C C 129 178.544 178.544 176.925 1.619 18277 748 1 1 . 1 1 130 130 TYR CA C 129 62.108 62.108 62.238 -0.130 18277 749 1 1 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.896 0.646 18277 750 1 1 . 1 1 130 130 TYR H H 129 8.118 8.118 7.842 0.276 18277 751 1 1 . 1 1 131 131 LEU N N 130 116.037 116.037 118.286 -2.249 18277 752 1 1 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.257 0.092 18277 753 1 1 . 1 1 131 131 LEU C C 130 179.368 179.368 179.359 0.009 18277 754 1 1 . 1 1 131 131 LEU CA C 130 58.816 58.816 58.116 0.700 18277 755 1 1 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.908 0.461 18277 756 1 1 . 1 1 131 131 LEU H H 130 9.092 9.092 8.658 0.434 18277 757 1 1 . 1 1 132 132 THR N N 131 113.629 113.629 109.323 4.306 18277 758 1 1 . 1 1 132 132 THR HA H 131 4.007 4.007 4.173 -0.166 18277 759 1 1 . 1 1 132 132 THR C C 131 177.255 177.255 176.263 0.992 18277 760 1 1 . 1 1 132 132 THR CA C 131 66.505 66.505 65.171 1.334 18277 761 1 1 . 1 1 132 132 THR CB C 131 68.052 68.052 68.910 -0.858 18277 762 1 1 . 1 1 132 132 THR H H 131 8.129 8.129 7.808 0.321 18277 763 1 1 . 1 1 133 133 ARG N N 132 124.720 124.720 122.495 2.225 18277 764 1 1 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.182 -0.066 18277 765 1 1 . 1 1 133 133 ARG C C 132 178.921 178.921 177.948 0.973 18277 766 1 1 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.110 1.927 18277 767 1 1 . 1 1 133 133 ARG CB C 132 30.274 30.274 29.291 0.983 18277 768 1 1 . 1 1 133 133 ARG H H 132 8.187 8.187 8.486 -0.299 18277 769 1 1 . 1 1 134 134 TRP N N 133 120.307 120.307 120.746 -0.439 18277 770 1 1 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.640 -0.413 18277 771 1 1 . 1 1 134 134 TRP C C 133 177.823 177.823 177.797 0.026 18277 772 1 1 . 1 1 134 134 TRP CA C 133 62.470 62.470 60.869 1.601 18277 773 1 1 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.029 -1.274 18277 774 1 1 . 1 1 134 134 TRP H H 133 9.167 9.167 8.509 0.658 18277 775 1 1 . 1 1 135 135 ILE N N 134 117.595 117.595 120.962 -3.367 18277 776 1 1 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.073 0.510 18277 777 1 1 . 1 1 135 135 ILE C C 134 176.333 176.333 177.698 -1.365 18277 778 1 1 . 1 1 135 135 ILE CA C 134 60.708 60.708 64.385 -3.677 18277 779 1 1 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.175 -1.042 18277 780 1 1 . 1 1 135 135 ILE H H 134 9.000 9.000 7.954 1.046 18277 781 1 1 . 1 1 136 136 SER N N 135 116.548 116.548 113.609 2.939 18277 782 1 1 . 1 1 136 136 SER HA H 135 3.931 3.931 3.884 0.047 18277 783 1 1 . 1 1 136 136 SER C C 135 174.339 174.339 175.864 -1.525 18277 784 1 1 . 1 1 136 136 SER CA C 135 62.535 62.535 61.204 1.331 18277 785 1 1 . 1 1 136 136 SER CB C 135 62.820 62.820 62.848 -0.028 18277 786 1 1 . 1 1 136 136 SER H H 135 7.592 7.592 8.205 -0.613 18277 787 1 1 . 1 1 137 137 LEU N N 136 119.693 119.693 119.769 -0.076 18277 788 1 1 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.260 -0.063 18277 789 1 1 . 1 1 137 137 LEU C C 136 178.376 178.376 177.535 0.841 18277 790 1 1 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.694 0.422 18277 791 1 1 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.549 0.439 18277 792 1 1 . 1 1 137 137 LEU H H 136 7.247 7.247 7.584 -0.337 18277 793 1 1 . 1 1 138 138 TYR N N 137 116.295 116.295 115.881 0.414 18277 794 1 1 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.192 -0.548 18277 795 1 1 . 1 1 138 138 TYR C C 137 178.142 178.142 177.355 0.787 18277 796 1 1 . 1 1 138 138 TYR CA C 137 61.396 61.396 60.018 1.378 18277 797 1 1 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.510 -0.603 18277 798 1 1 . 1 1 138 138 TYR H H 137 8.057 8.057 7.931 0.126 18277 799 1 1 . 1 1 139 139 ILE N N 138 117.755 117.755 121.334 -3.579 18277 800 1 1 . 1 1 139 139 ILE HA H 138 3.818 3.818 3.683 0.135 18277 801 1 1 . 1 1 139 139 ILE C C 138 176.943 176.943 176.228 0.715 18277 802 1 1 . 1 1 139 139 ILE CA C 138 61.684 61.684 60.313 1.371 18277 803 1 1 . 1 1 139 139 ILE CB C 138 36.768 36.768 37.485 -0.717 18277 804 1 1 . 1 1 139 139 ILE H H 138 8.371 8.371 8.348 0.023 18277 805 1 1 . 1 1 140 140 ARG N N 139 118.103 118.103 118.959 -0.856 18277 806 1 1 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.263 -0.188 18277 807 1 1 . 1 1 140 140 ARG C C 139 176.776 176.776 176.831 -0.055 18277 808 1 1 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.675 -1.146 18277 809 1 1 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.960 -0.119 18277 810 1 1 . 1 1 140 140 ARG H H 139 6.762 6.762 7.966 -1.204 18277 811 1 1 . 1 1 141 141 ILE N N 140 117.603 117.603 118.120 -0.517 18277 812 1 1 . 1 1 141 141 ILE HA H 140 3.771 3.771 4.222 -0.451 18277 813 1 1 . 1 1 141 141 ILE C C 140 176.448 176.448 176.627 -0.179 18277 814 1 1 . 1 1 141 141 ILE CA C 140 63.370 63.370 62.702 0.668 18277 815 1 1 . 1 1 141 141 ILE CB C 140 38.819 38.819 38.416 0.404 18277 816 1 1 . 1 1 141 141 ILE H H 140 7.056 7.056 7.505 -0.449 18277 817 1 1 . 1 1 142 142 PHE N N 141 114.969 114.969 119.354 -4.385 18277 818 1 1 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.607 -0.213 18277 819 1 1 . 1 1 142 142 PHE C C 141 175.503 175.503 174.886 0.617 18277 820 1 1 . 1 1 142 142 PHE CA C 141 58.126 58.126 59.028 -0.902 18277 821 1 1 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.231 -0.793 18277 822 1 1 . 1 1 142 142 PHE H H 141 7.287 7.287 8.318 -1.031 18277 823 1 1 . 1 1 143 143 ASP N N 142 116.492 116.492 118.953 -2.461 18277 824 1 1 . 1 1 143 143 ASP HA H 142 4.745 4.745 5.016 -0.271 18277 825 1 1 . 1 1 143 143 ASP C C 142 175.131 175.131 175.465 -0.334 18277 826 1 1 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.651 0.362 18277 827 1 1 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.852 0.144 18277 828 1 1 . 1 1 143 143 ASP H H 142 7.697 7.697 8.313 -0.616 18277 829 1 1 . 1 1 144 144 LEU N N 143 126.435 126.435 126.047 0.388 18277 830 1 1 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.378 -0.192 18277 831 1 1 . 1 1 144 144 LEU C C 143 177.297 177.297 176.709 0.588 18277 832 1 1 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.238 1.702 18277 833 1 1 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.944 0.665 18277 834 1 1 . 1 1 144 144 LEU H H 143 8.790 8.790 8.800 -0.010 18277 835 1 1 . 1 1 145 145 ASN N N 144 114.711 114.711 116.001 -1.290 18277 836 1 1 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.801 0.022 18277 837 1 1 . 1 1 145 145 ASN C C 144 174.879 174.879 174.586 0.293 18277 838 1 1 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.986 -0.835 18277 839 1 1 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.201 -0.506 18277 840 1 1 . 1 1 145 145 ASN H H 144 8.569 8.569 7.983 0.586 18277 841 1 1 . 1 1 146 146 PHE N N 145 121.472 121.472 122.219 -0.747 18277 842 1 1 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.632 -0.123 18277 843 1 1 . 1 1 146 146 PHE C C 145 173.397 173.397 173.415 -0.018 18277 844 1 1 . 1 1 146 146 PHE CA C 145 57.895 57.895 56.574 1.321 18277 845 1 1 . 1 1 146 146 PHE CB C 145 38.987 38.987 39.114 -0.127 18277 846 1 1 . 1 1 146 146 PHE H H 145 7.214 7.214 7.296 -0.082 18277 847 1 1 . 1 1 147 147 VAL N N 146 128.813 128.813 124.778 4.035 18277 848 1 1 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.242 -0.170 18277 849 1 1 . 1 1 147 147 VAL CA C 146 58.698 58.698 56.539 2.159 18277 850 1 1 . 1 1 147 147 VAL CB C 146 33.469 33.469 30.723 2.746 18277 851 1 1 . 1 1 147 147 VAL H H 146 7.666 7.666 8.114 -0.448 18277 852 1 2 . 1 1 2 2 MET N N 1 121.461 121.461 120.462 0.999 18277 853 1 2 . 1 1 2 2 MET HA H 1 4.581 4.581 3.940 0.641 18277 854 1 2 . 1 1 2 2 MET C C 1 175.184 175.184 174.601 0.583 18277 855 1 2 . 1 1 2 2 MET CA C 1 55.447 55.447 56.605 -1.158 18277 856 1 2 . 1 1 2 2 MET CB C 1 34.107 34.107 32.364 1.743 18277 857 1 2 . 1 1 2 2 MET H H 1 8.431 8.431 8.526 -0.095 18277 858 1 2 . 1 1 3 3 LEU N N 2 123.575 123.575 121.143 2.432 18277 859 1 2 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.358 0.112 18277 860 1 2 . 1 1 3 3 LEU C C 2 176.479 176.479 176.281 0.198 18277 861 1 2 . 1 1 3 3 LEU CA C 2 54.544 54.544 54.781 -0.237 18277 862 1 2 . 1 1 3 3 LEU CB C 2 43.200 43.200 42.115 1.085 18277 863 1 2 . 1 1 3 3 LEU H H 2 8.678 8.678 7.552 1.126 18277 864 1 2 . 1 1 4 4 THR N N 3 119.326 119.326 117.266 2.060 18277 865 1 2 . 1 1 4 4 THR HA H 3 4.398 4.398 4.680 -0.282 18277 866 1 2 . 1 1 4 4 THR C C 3 173.920 173.920 175.196 -1.276 18277 867 1 2 . 1 1 4 4 THR CA C 3 61.025 61.025 60.806 0.219 18277 868 1 2 . 1 1 4 4 THR CB C 3 71.090 71.090 70.249 0.841 18277 869 1 2 . 1 1 4 4 THR H H 3 8.541 8.541 8.019 0.522 18277 870 1 2 . 1 1 5 5 LEU N N 4 122.107 122.107 120.269 1.838 18277 871 1 2 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.753 -0.465 18277 872 1 2 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.121 0.971 18277 873 1 2 . 1 1 5 5 LEU CB C 4 38.806 38.806 39.010 -0.204 18277 874 1 2 . 1 1 5 5 LEU H H 4 8.777 8.777 8.744 0.033 18277 875 1 2 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.386 -0.040 18277 876 1 2 . 1 1 6 6 PRO C C 5 179.812 179.812 177.881 1.931 18277 877 1 2 . 1 1 6 6 PRO CA C 5 66.260 66.260 65.032 1.228 18277 878 1 2 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.057 0.002 18277 879 1 2 . 1 1 7 7 GLU N N 6 117.744 117.744 117.134 0.610 18277 880 1 2 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.227 -0.201 18277 881 1 2 . 1 1 7 7 GLU C C 6 178.359 178.359 177.092 1.267 18277 882 1 2 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.053 1.050 18277 883 1 2 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.491 -0.221 18277 884 1 2 . 1 1 7 7 GLU H H 6 7.088 7.088 7.808 -0.720 18277 885 1 2 . 1 1 8 8 TYR N N 7 120.825 120.825 117.901 2.924 18277 886 1 2 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.470 -0.575 18277 887 1 2 . 1 1 8 8 TYR C C 7 176.641 176.641 177.058 -0.417 18277 888 1 2 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.392 2.127 18277 889 1 2 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.534 -1.807 18277 890 1 2 . 1 1 8 8 TYR H H 7 8.310 8.310 7.656 0.654 18277 891 1 2 . 1 1 9 9 ASN N N 8 118.086 118.086 118.728 -0.642 18277 892 1 2 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.007 0.311 18277 893 1 2 . 1 1 9 9 ASN C C 8 179.060 179.060 177.734 1.326 18277 894 1 2 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.542 0.232 18277 895 1 2 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.907 0.402 18277 896 1 2 . 1 1 9 9 ASN H H 8 8.791 8.791 8.593 0.198 18277 897 1 2 . 1 1 10 10 GLU N N 9 120.057 120.057 119.230 0.827 18277 898 1 2 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.170 -0.057 18277 899 1 2 . 1 1 10 10 GLU C C 9 177.853 177.853 177.187 0.666 18277 900 1 2 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.491 0.015 18277 901 1 2 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.505 0.136 18277 902 1 2 . 1 1 10 10 GLU H H 9 8.013 8.013 8.326 -0.313 18277 903 1 2 . 1 1 11 11 GLN N N 10 116.468 116.468 116.805 -0.337 18277 904 1 2 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.579 -0.129 18277 905 1 2 . 1 1 11 11 GLN C C 10 177.470 177.470 176.211 1.259 18277 906 1 2 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.251 1.746 18277 907 1 2 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.190 1.535 18277 908 1 2 . 1 1 11 11 GLN H H 10 7.488 7.488 7.558 -0.070 18277 909 1 2 . 1 1 12 12 ILE N N 11 124.393 124.393 122.744 1.649 18277 910 1 2 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.720 0.108 18277 911 1 2 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.962 -2.456 18277 912 1 2 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.522 -1.264 18277 913 1 2 . 1 1 12 12 ILE H H 11 7.605 7.605 7.104 0.501 18277 914 1 2 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.525 -0.288 18277 915 1 2 . 1 1 13 13 PRO C C 12 179.113 179.113 177.742 1.371 18277 916 1 2 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.709 1.718 18277 917 1 2 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.743 0.334 18277 918 1 2 . 1 1 14 14 ASN N N 13 115.499 115.499 118.849 -3.350 18277 919 1 2 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.720 -0.128 18277 920 1 2 . 1 1 14 14 ASN C C 13 178.208 178.208 177.330 0.878 18277 921 1 2 . 1 1 14 14 ASN CA C 13 55.791 55.791 55.115 0.676 18277 922 1 2 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.407 -0.363 18277 923 1 2 . 1 1 14 14 ASN H H 13 7.793 7.793 8.154 -0.361 18277 924 1 2 . 1 1 15 15 VAL N N 14 121.205 121.205 121.467 -0.262 18277 925 1 2 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.802 -0.102 18277 926 1 2 . 1 1 15 15 VAL C C 14 176.999 176.999 177.645 -0.646 18277 927 1 2 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.818 -0.274 18277 928 1 2 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.527 -0.102 18277 929 1 2 . 1 1 15 15 VAL H H 14 7.704 7.704 8.155 -0.451 18277 930 1 2 . 1 1 16 16 ARG N N 15 121.067 121.067 118.589 2.478 18277 931 1 2 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.141 -0.427 18277 932 1 2 . 1 1 16 16 ARG C C 15 178.150 178.150 178.151 -0.001 18277 933 1 2 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.567 0.953 18277 934 1 2 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.387 0.827 18277 935 1 2 . 1 1 16 16 ARG H H 15 8.855 8.855 7.862 0.993 18277 936 1 2 . 1 1 17 17 SER N N 16 112.741 112.741 115.175 -2.434 18277 937 1 2 . 1 1 17 17 SER HA H 16 4.245 4.245 4.207 0.038 18277 938 1 2 . 1 1 17 17 SER C C 16 177.177 177.177 176.051 1.126 18277 939 1 2 . 1 1 17 17 SER CA C 16 61.756 61.756 61.260 0.496 18277 940 1 2 . 1 1 17 17 SER CB C 16 62.785 62.785 63.144 -0.359 18277 941 1 2 . 1 1 17 17 SER H H 16 7.987 7.987 7.688 0.299 18277 942 1 2 . 1 1 18 18 LEU N N 17 122.703 122.703 116.909 5.794 18277 943 1 2 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.452 -0.195 18277 944 1 2 . 1 1 18 18 LEU C C 17 179.350 179.350 179.301 0.049 18277 945 1 2 . 1 1 18 18 LEU CA C 17 58.484 58.484 56.979 1.505 18277 946 1 2 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.260 1.215 18277 947 1 2 . 1 1 18 18 LEU H H 17 7.728 7.728 7.542 0.186 18277 948 1 2 . 1 1 19 19 LEU N N 18 116.536 116.536 122.445 -5.909 18277 949 1 2 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.387 -0.156 18277 950 1 2 . 1 1 19 19 LEU C C 18 178.556 178.556 178.885 -0.329 18277 951 1 2 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.497 -0.222 18277 952 1 2 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.062 0.653 18277 953 1 2 . 1 1 19 19 LEU H H 18 8.367 8.367 8.720 -0.353 18277 954 1 2 . 1 1 20 20 THR N N 19 111.172 111.172 111.413 -0.241 18277 955 1 2 . 1 1 20 20 THR HA H 19 4.072 4.072 3.993 0.079 18277 956 1 2 . 1 1 20 20 THR C C 19 175.433 175.433 175.955 -0.522 18277 957 1 2 . 1 1 20 20 THR CA C 19 65.421 65.421 65.348 0.073 18277 958 1 2 . 1 1 20 20 THR CB C 19 69.541 69.541 68.560 0.981 18277 959 1 2 . 1 1 20 20 THR H H 19 7.926 7.926 7.916 0.010 18277 960 1 2 . 1 1 21 21 LYS N N 20 117.696 117.696 119.011 -1.315 18277 961 1 2 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.005 0.346 18277 962 1 2 . 1 1 21 21 LYS C C 20 176.229 176.229 177.335 -1.106 18277 963 1 2 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.964 -0.450 18277 964 1 2 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.033 0.316 18277 965 1 2 . 1 1 21 21 LYS H H 20 7.350 7.350 8.031 -0.681 18277 966 1 2 . 1 1 22 22 TRP N N 21 123.258 123.258 122.043 1.215 18277 967 1 2 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.693 1.075 18277 968 1 2 . 1 1 22 22 TRP C C 21 177.333 177.333 176.188 1.145 18277 969 1 2 . 1 1 22 22 TRP CA C 21 54.466 54.466 56.351 -1.885 18277 970 1 2 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.427 0.456 18277 971 1 2 . 1 1 22 22 TRP H H 21 7.710 7.710 7.147 0.563 18277 972 1 2 . 1 1 23 23 ALA N N 22 133.336 133.336 127.939 5.397 18277 973 1 2 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.177 -0.031 18277 974 1 2 . 1 1 23 23 ALA C C 22 177.467 177.467 177.473 -0.006 18277 975 1 2 . 1 1 23 23 ALA CA C 22 54.855 54.855 52.947 1.908 18277 976 1 2 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.414 -0.450 18277 977 1 2 . 1 1 23 23 ALA H H 22 9.658 9.658 8.170 1.488 18277 978 1 2 . 1 1 24 24 LYS N N 23 111.352 111.352 117.225 -5.873 18277 979 1 2 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.125 -0.125 18277 980 1 2 . 1 1 24 24 LYS C C 23 175.467 175.467 176.267 -0.800 18277 981 1 2 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.403 -0.881 18277 982 1 2 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.298 1.008 18277 983 1 2 . 1 1 24 24 LYS H H 23 5.756 5.756 7.931 -2.175 18277 984 1 2 . 1 1 25 25 VAL N N 24 119.937 119.937 118.376 1.561 18277 985 1 2 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.616 -0.238 18277 986 1 2 . 1 1 25 25 VAL C C 24 175.634 175.634 175.404 0.230 18277 987 1 2 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.754 0.709 18277 988 1 2 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.773 0.248 18277 989 1 2 . 1 1 25 25 VAL H H 24 7.179 7.179 7.250 -0.071 18277 990 1 2 . 1 1 26 26 GLU N N 25 127.218 127.218 126.524 0.694 18277 991 1 2 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.383 0.025 18277 992 1 2 . 1 1 26 26 GLU C C 25 176.448 176.448 175.900 0.548 18277 993 1 2 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.344 0.632 18277 994 1 2 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.712 -0.306 18277 995 1 2 . 1 1 26 26 GLU H H 25 9.017 9.017 8.803 0.214 18277 996 1 2 . 1 1 27 27 ARG N N 26 117.397 117.397 119.937 -2.540 18277 997 1 2 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.511 0.016 18277 998 1 2 . 1 1 27 27 ARG C C 26 173.508 173.508 174.160 -0.652 18277 999 1 2 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.974 1.242 18277 1000 1 2 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.018 1.945 18277 1001 1 2 . 1 1 27 27 ARG H H 26 7.521 7.521 7.501 0.020 18277 1002 1 2 . 1 1 28 28 ILE N N 27 123.297 123.297 125.549 -2.252 18277 1003 1 2 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.419 0.262 18277 1004 1 2 . 1 1 28 28 ILE C C 27 173.872 173.872 174.922 -1.050 18277 1005 1 2 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.226 0.864 18277 1006 1 2 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.837 1.848 18277 1007 1 2 . 1 1 28 28 ILE H H 27 8.662 8.662 8.482 0.180 18277 1008 1 2 . 1 1 29 29 GLN N N 28 125.810 125.810 126.919 -1.109 18277 1009 1 2 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.623 0.129 18277 1010 1 2 . 1 1 29 29 GLN C C 28 174.329 174.329 174.026 0.303 18277 1011 1 2 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.324 -0.255 18277 1012 1 2 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.090 -0.148 18277 1013 1 2 . 1 1 29 29 GLN H H 28 9.282 9.282 8.399 0.883 18277 1014 1 2 . 1 1 30 30 ASP N N 29 125.001 125.001 123.020 1.981 18277 1015 1 2 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.838 0.048 18277 1016 1 2 . 1 1 30 30 ASP C C 29 175.522 175.522 174.940 0.582 18277 1017 1 2 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.651 2.805 18277 1018 1 2 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.439 -2.116 18277 1019 1 2 . 1 1 30 30 ASP H H 29 8.666 8.666 8.480 0.186 18277 1020 1 2 . 1 1 31 31 VAL N N 30 116.978 116.978 113.483 3.495 18277 1021 1 2 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.582 0.062 18277 1022 1 2 . 1 1 31 31 VAL C C 30 175.448 175.448 174.626 0.822 18277 1023 1 2 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.515 -0.337 18277 1024 1 2 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.566 0.558 18277 1025 1 2 . 1 1 31 31 VAL H H 30 7.784 7.784 8.406 -0.622 18277 1026 1 2 . 1 1 32 32 GLN N N 31 121.763 121.763 122.641 -0.878 18277 1027 1 2 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.126 -0.093 18277 1028 1 2 . 1 1 32 32 GLN C C 31 176.620 176.620 175.402 1.218 18277 1029 1 2 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.549 0.634 18277 1030 1 2 . 1 1 32 32 GLN CB C 31 28.042 28.042 27.921 0.121 18277 1031 1 2 . 1 1 32 32 GLN H H 31 8.515 8.515 8.661 -0.146 18277 1032 1 2 . 1 1 33 33 ASP N N 32 121.199 121.199 121.752 -0.553 18277 1033 1 2 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.491 0.484 18277 1034 1 2 . 1 1 33 33 ASP C C 32 176.998 176.998 174.846 2.152 18277 1035 1 2 . 1 1 33 33 ASP CA C 32 55.528 55.528 55.055 0.473 18277 1036 1 2 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.085 1.574 18277 1037 1 2 . 1 1 33 33 ASP H H 32 9.134 9.134 8.406 0.728 18277 1038 1 2 . 1 1 34 34 GLY N N 33 106.691 106.691 102.339 4.352 18277 1039 1 2 . 1 1 34 34 GLY C C 33 171.453 171.453 171.917 -0.464 18277 1040 1 2 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.895 1.470 18277 1041 1 2 . 1 1 34 34 GLY H H 33 8.104 8.104 7.884 0.220 18277 1042 1 2 . 1 1 35 35 LEU N N 34 119.801 119.801 119.527 0.274 18277 1043 1 2 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.744 0.539 18277 1044 1 2 . 1 1 35 35 LEU C C 34 174.568 174.568 174.146 0.422 18277 1045 1 2 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.258 -1.690 18277 1046 1 2 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.323 1.949 18277 1047 1 2 . 1 1 35 35 LEU H H 34 8.491 8.491 8.127 0.364 18277 1048 1 2 . 1 1 36 36 GLN N N 35 121.349 121.349 123.070 -1.721 18277 1049 1 2 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.664 -0.447 18277 1050 1 2 . 1 1 36 36 GLN C C 35 174.530 174.530 174.413 0.117 18277 1051 1 2 . 1 1 36 36 GLN CA C 35 54.764 54.764 53.918 0.846 18277 1052 1 2 . 1 1 36 36 GLN CB C 35 31.480 31.480 30.946 0.534 18277 1053 1 2 . 1 1 36 36 GLN H H 35 8.992 8.992 8.870 0.122 18277 1054 1 2 . 1 1 37 37 LEU N N 36 126.882 126.882 127.133 -0.251 18277 1055 1 2 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.301 0.057 18277 1056 1 2 . 1 1 37 37 LEU C C 36 174.519 174.519 177.041 -2.522 18277 1057 1 2 . 1 1 37 37 LEU CA C 36 54.931 54.931 52.070 2.861 18277 1058 1 2 . 1 1 37 37 LEU CB C 36 45.251 45.251 43.143 2.108 18277 1059 1 2 . 1 1 37 37 LEU H H 36 9.826 9.826 8.328 1.498 18277 1060 1 2 . 1 1 38 38 ASP N N 37 122.748 122.748 120.610 2.138 18277 1061 1 2 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.863 0.586 18277 1062 1 2 . 1 1 38 38 ASP C C 37 175.197 175.197 174.704 0.493 18277 1063 1 2 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.446 -0.067 18277 1064 1 2 . 1 1 38 38 ASP CB C 37 42.062 42.062 42.244 -0.182 18277 1065 1 2 . 1 1 38 38 ASP H H 37 8.556 8.556 8.245 0.311 18277 1066 1 2 . 1 1 39 39 VAL N N 38 124.835 124.835 124.231 0.604 18277 1067 1 2 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.758 0.383 18277 1068 1 2 . 1 1 39 39 VAL C C 38 174.081 174.081 174.596 -0.515 18277 1069 1 2 . 1 1 39 39 VAL CA C 38 60.442 60.442 62.218 -1.776 18277 1070 1 2 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.405 2.189 18277 1071 1 2 . 1 1 39 39 VAL H H 38 9.495 9.495 7.725 1.770 18277 1072 1 2 . 1 1 40 40 ARG N N 39 131.221 131.221 127.662 3.559 18277 1073 1 2 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.736 -0.220 18277 1074 1 2 . 1 1 40 40 ARG C C 39 174.144 174.144 175.525 -1.381 18277 1075 1 2 . 1 1 40 40 ARG CA C 39 53.504 53.504 54.578 -1.074 18277 1076 1 2 . 1 1 40 40 ARG CB C 39 28.119 28.119 29.787 -1.668 18277 1077 1 2 . 1 1 40 40 ARG H H 39 9.046 9.046 8.066 0.980 18277 1078 1 2 . 1 1 41 41 LEU N N 40 129.501 129.501 125.126 4.375 18277 1079 1 2 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.212 -0.186 18277 1080 1 2 . 1 1 41 41 LEU C C 40 176.934 176.934 177.723 -0.789 18277 1081 1 2 . 1 1 41 41 LEU CA C 40 57.863 57.863 56.912 0.951 18277 1082 1 2 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.339 1.409 18277 1083 1 2 . 1 1 41 41 LEU H H 40 7.786 7.786 8.499 -0.713 18277 1084 1 2 . 1 1 42 42 LYS N N 41 112.553 112.553 116.325 -3.772 18277 1085 1 2 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.534 0.160 18277 1086 1 2 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.328 -1.149 18277 1087 1 2 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.369 0.634 18277 1088 1 2 . 1 1 42 42 LYS H H 41 8.313 8.313 7.364 0.949 18277 1089 1 2 . 1 1 43 43 THR HA H 42 3.860 3.860 4.114 -0.254 18277 1090 1 2 . 1 1 43 43 THR C C 42 174.883 174.883 173.920 0.963 18277 1091 1 2 . 1 1 43 43 THR CA C 42 66.494 66.494 65.059 1.435 18277 1092 1 2 . 1 1 43 43 THR CB C 42 68.508 68.508 68.913 -0.405 18277 1093 1 2 . 1 1 44 44 ASP N N 43 114.795 114.795 117.041 -2.246 18277 1094 1 2 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.814 0.015 18277 1095 1 2 . 1 1 44 44 ASP C C 43 176.791 176.791 174.812 1.979 18277 1096 1 2 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.373 -0.452 18277 1097 1 2 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.621 0.449 18277 1098 1 2 . 1 1 44 44 ASP H H 43 7.759 7.759 8.027 -0.268 18277 1099 1 2 . 1 1 45 45 THR N N 44 115.323 115.323 116.436 -1.113 18277 1100 1 2 . 1 1 45 45 THR HA H 44 5.303 5.303 4.970 0.333 18277 1101 1 2 . 1 1 45 45 THR C C 44 171.480 171.480 172.864 -1.384 18277 1102 1 2 . 1 1 45 45 THR CA C 44 62.732 62.732 61.202 1.530 18277 1103 1 2 . 1 1 45 45 THR CB C 44 72.378 72.378 72.412 -0.035 18277 1104 1 2 . 1 1 45 45 THR H H 44 7.551 7.551 8.203 -0.652 18277 1105 1 2 . 1 1 46 46 LEU N N 45 130.323 130.323 126.718 3.605 18277 1106 1 2 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.104 -0.150 18277 1107 1 2 . 1 1 46 46 LEU C C 45 174.048 174.048 173.883 0.165 18277 1108 1 2 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.850 -0.493 18277 1109 1 2 . 1 1 46 46 LEU CB C 45 45.735 45.735 45.920 -0.185 18277 1110 1 2 . 1 1 46 46 LEU H H 45 9.590 9.590 8.894 0.696 18277 1111 1 2 . 1 1 47 47 LEU N N 46 127.468 127.468 128.040 -0.572 18277 1112 1 2 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.230 -0.080 18277 1113 1 2 . 1 1 47 47 LEU C C 46 173.309 173.309 175.480 -2.171 18277 1114 1 2 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.467 0.120 18277 1115 1 2 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.140 1.982 18277 1116 1 2 . 1 1 47 47 LEU H H 46 9.673 9.673 9.097 0.576 18277 1117 1 2 . 1 1 48 48 GLU N N 47 131.371 131.371 127.210 4.161 18277 1118 1 2 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.568 0.654 18277 1119 1 2 . 1 1 48 48 GLU C C 47 173.970 173.970 174.509 -0.539 18277 1120 1 2 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.572 -1.899 18277 1121 1 2 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.538 1.372 18277 1122 1 2 . 1 1 48 48 GLU H H 47 9.400 9.400 8.418 0.982 18277 1123 1 2 . 1 1 49 49 LEU N N 48 129.742 129.742 127.377 2.365 18277 1124 1 2 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.593 0.394 18277 1125 1 2 . 1 1 49 49 LEU C C 48 174.115 174.115 175.011 -0.896 18277 1126 1 2 . 1 1 49 49 LEU CA C 48 54.673 54.673 53.363 1.310 18277 1127 1 2 . 1 1 49 49 LEU CB C 48 45.638 45.638 43.635 2.003 18277 1128 1 2 . 1 1 49 49 LEU H H 48 9.433 9.433 7.836 1.597 18277 1129 1 2 . 1 1 50 50 HIS N N 49 126.356 126.356 125.896 0.460 18277 1130 1 2 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.717 -0.297 18277 1131 1 2 . 1 1 50 50 HIS C C 49 174.293 174.293 174.448 -0.155 18277 1132 1 2 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.438 2.188 18277 1133 1 2 . 1 1 50 50 HIS CB C 49 33.850 33.850 32.865 0.985 18277 1134 1 2 . 1 1 50 50 HIS H H 49 9.575 9.575 9.312 0.263 18277 1135 1 2 . 1 1 51 51 ILE N N 50 123.679 123.679 125.560 -1.881 18277 1136 1 2 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.687 0.559 18277 1137 1 2 . 1 1 51 51 ILE C C 50 175.021 175.021 173.707 1.314 18277 1138 1 2 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.678 0.914 18277 1139 1 2 . 1 1 51 51 ILE CB C 50 40.771 40.771 40.020 0.751 18277 1140 1 2 . 1 1 51 51 ILE H H 50 8.991 8.991 8.561 0.430 18277 1141 1 2 . 1 1 52 52 TYR N N 51 126.281 126.281 124.952 1.329 18277 1142 1 2 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.507 -0.036 18277 1143 1 2 . 1 1 52 52 TYR C C 51 171.145 171.145 172.996 -1.851 18277 1144 1 2 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.060 0.552 18277 1145 1 2 . 1 1 52 52 TYR CB C 51 41.121 41.121 41.159 -0.038 18277 1146 1 2 . 1 1 52 52 TYR H H 51 9.189 9.189 7.919 1.270 18277 1147 1 2 . 1 1 53 53 TYR N N 52 120.025 120.025 122.159 -2.134 18277 1148 1 2 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.407 -0.600 18277 1149 1 2 . 1 1 53 53 TYR C C 52 173.874 173.874 173.452 0.422 18277 1150 1 2 . 1 1 53 53 TYR CA C 52 56.962 56.962 55.937 1.025 18277 1151 1 2 . 1 1 53 53 TYR CB C 52 39.544 39.544 40.763 -1.219 18277 1152 1 2 . 1 1 53 53 TYR H H 52 7.985 7.985 8.571 -0.586 18277 1153 1 2 . 1 1 54 54 ASP N N 53 127.411 127.411 122.238 5.173 18277 1154 1 2 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.511 0.182 18277 1155 1 2 . 1 1 54 54 ASP C C 53 175.962 175.962 175.326 0.636 18277 1156 1 2 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.020 1.958 18277 1157 1 2 . 1 1 54 54 ASP CB C 53 43.028 43.028 42.971 0.057 18277 1158 1 2 . 1 1 54 54 ASP H H 53 7.449 7.449 7.577 -0.128 18277 1159 1 2 . 1 1 55 55 HIS N N 54 124.486 124.486 122.764 1.722 18277 1160 1 2 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.489 -0.510 18277 1161 1 2 . 1 1 55 55 HIS C C 54 175.406 175.406 174.830 0.576 18277 1162 1 2 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.308 2.309 18277 1163 1 2 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.579 1.838 18277 1164 1 2 . 1 1 55 55 HIS H H 54 8.512 8.512 8.566 -0.054 18277 1165 1 2 . 1 1 56 56 VAL N N 55 120.625 120.625 117.897 2.728 18277 1166 1 2 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.944 -0.408 18277 1167 1 2 . 1 1 56 56 VAL C C 55 177.379 177.379 176.029 1.350 18277 1168 1 2 . 1 1 56 56 VAL CA C 55 65.174 65.174 63.095 2.079 18277 1169 1 2 . 1 1 56 56 VAL CB C 55 31.274 31.274 32.085 -0.811 18277 1170 1 2 . 1 1 56 56 VAL H H 55 8.397 8.397 7.757 0.640 18277 1171 1 2 . 1 1 57 57 TYR N N 56 115.771 115.771 116.179 -0.408 18277 1172 1 2 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.682 -0.416 18277 1173 1 2 . 1 1 57 57 TYR C C 56 174.645 174.645 175.643 -0.998 18277 1174 1 2 . 1 1 57 57 TYR CA C 56 58.726 58.726 56.304 2.422 18277 1175 1 2 . 1 1 57 57 TYR CB C 56 39.566 39.566 38.758 0.808 18277 1176 1 2 . 1 1 57 57 TYR H H 56 7.641 7.641 6.899 0.742 18277 1177 1 2 . 1 1 58 58 HIS N N 57 116.177 116.177 114.670 1.507 18277 1178 1 2 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.190 -0.443 18277 1179 1 2 . 1 1 58 58 HIS C C 57 172.860 172.860 172.921 -0.061 18277 1180 1 2 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.495 -0.847 18277 1181 1 2 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.351 -2.049 18277 1182 1 2 . 1 1 58 58 HIS H H 57 7.764 7.764 7.738 0.026 18277 1183 1 2 . 1 1 59 59 VAL N N 58 104.729 104.729 110.326 -5.597 18277 1184 1 2 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.554 0.146 18277 1185 1 2 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.876 -2.544 18277 1186 1 2 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.791 0.422 18277 1187 1 2 . 1 1 59 59 VAL H H 58 6.310 6.310 6.850 -0.540 18277 1188 1 2 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.257 0.088 18277 1189 1 2 . 1 1 60 60 PRO C C 59 174.254 174.254 176.029 -1.775 18277 1190 1 2 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.930 -0.340 18277 1191 1 2 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.712 -1.936 18277 1192 1 2 . 1 1 61 61 SER N N 60 116.530 116.530 112.626 3.904 18277 1193 1 2 . 1 1 61 61 SER HA H 60 4.899 4.899 4.834 0.065 18277 1194 1 2 . 1 1 61 61 SER CA C 60 57.691 57.691 56.722 0.969 18277 1195 1 2 . 1 1 61 61 SER CB C 60 66.483 66.483 65.957 0.526 18277 1196 1 2 . 1 1 61 61 SER H H 60 8.854 8.854 8.312 0.542 18277 1197 1 2 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.757 0.947 18277 1198 1 2 . 1 1 62 62 ILE C C 61 176.160 176.160 174.553 1.607 18277 1199 1 2 . 1 1 62 62 ILE CA C 61 59.918 59.918 60.840 -0.922 18277 1200 1 2 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.586 0.203 18277 1201 1 2 . 1 1 63 63 LYS N N 62 123.794 123.794 127.088 -3.294 18277 1202 1 2 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.887 0.807 18277 1203 1 2 . 1 1 63 63 LYS C C 62 174.598 174.598 173.910 0.688 18277 1204 1 2 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.911 -1.403 18277 1205 1 2 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.600 0.103 18277 1206 1 2 . 1 1 63 63 LYS H H 62 9.011 9.011 8.656 0.355 18277 1207 1 2 . 1 1 64 64 PHE N N 63 116.267 116.267 120.980 -4.713 18277 1208 1 2 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.499 0.814 18277 1209 1 2 . 1 1 64 64 PHE C C 63 173.139 173.139 173.311 -0.172 18277 1210 1 2 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.717 0.876 18277 1211 1 2 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.900 0.041 18277 1212 1 2 . 1 1 64 64 PHE H H 63 9.776 9.776 7.431 2.345 18277 1213 1 2 . 1 1 65 65 ARG N N 64 116.428 116.428 118.339 -1.911 18277 1214 1 2 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.954 -0.173 18277 1215 1 2 . 1 1 65 65 ARG C C 64 173.867 173.867 174.431 -0.564 18277 1216 1 2 . 1 1 65 65 ARG CA C 64 55.757 55.757 55.100 0.657 18277 1217 1 2 . 1 1 65 65 ARG CB C 64 35.068 35.068 33.910 1.158 18277 1218 1 2 . 1 1 65 65 ARG H H 64 9.257 9.257 8.315 0.942 18277 1219 1 2 . 1 1 66 66 LEU N N 65 121.826 121.826 123.216 -1.390 18277 1220 1 2 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.523 0.926 18277 1221 1 2 . 1 1 66 66 LEU C C 65 174.002 174.002 176.463 -2.461 18277 1222 1 2 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.094 -1.268 18277 1223 1 2 . 1 1 66 66 LEU CB C 65 46.672 46.672 43.169 3.503 18277 1224 1 2 . 1 1 66 66 LEU H H 65 9.041 9.041 8.917 0.124 18277 1225 1 2 . 1 1 67 67 TRP N N 66 120.671 120.671 122.133 -1.462 18277 1226 1 2 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.370 -0.047 18277 1227 1 2 . 1 1 67 67 TRP C C 66 175.763 175.763 175.397 0.366 18277 1228 1 2 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.482 -1.400 18277 1229 1 2 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.731 -0.560 18277 1230 1 2 . 1 1 67 67 TRP H H 66 9.366 9.366 8.656 0.710 18277 1231 1 2 . 1 1 68 68 SER N N 67 117.273 117.273 117.486 -0.213 18277 1232 1 2 . 1 1 68 68 SER HA H 67 5.297 5.297 5.178 0.119 18277 1233 1 2 . 1 1 68 68 SER C C 67 174.327 174.327 174.251 0.076 18277 1234 1 2 . 1 1 68 68 SER CA C 67 56.883 56.883 56.177 0.706 18277 1235 1 2 . 1 1 68 68 SER CB C 67 65.230 65.230 63.999 1.231 18277 1236 1 2 . 1 1 68 68 SER H H 67 9.750 9.750 9.320 0.430 18277 1237 1 2 . 1 1 69 69 LEU N N 68 126.002 126.002 130.178 -4.176 18277 1238 1 2 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.432 0.326 18277 1239 1 2 . 1 1 69 69 LEU C C 68 176.022 176.022 176.326 -0.304 18277 1240 1 2 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.991 -1.612 18277 1241 1 2 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.553 0.817 18277 1242 1 2 . 1 1 69 69 LEU H H 68 8.119 8.119 8.636 -0.517 18277 1243 1 2 . 1 1 70 70 ASP N N 69 124.828 124.828 125.607 -0.779 18277 1244 1 2 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.904 -0.123 18277 1245 1 2 . 1 1 70 70 ASP C C 69 176.396 176.396 175.765 0.631 18277 1246 1 2 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.737 0.646 18277 1247 1 2 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.913 -0.920 18277 1248 1 2 . 1 1 70 70 ASP H H 69 8.572 8.572 8.085 0.487 18277 1249 1 2 . 1 1 71 71 THR N N 70 114.913 114.913 115.205 -0.292 18277 1250 1 2 . 1 1 71 71 THR HA H 70 4.531 4.531 4.474 0.057 18277 1251 1 2 . 1 1 71 71 THR C C 70 174.451 174.451 174.794 -0.343 18277 1252 1 2 . 1 1 71 71 THR CA C 70 61.742 61.742 61.451 0.291 18277 1253 1 2 . 1 1 71 71 THR CB C 70 69.950 69.950 68.639 1.311 18277 1254 1 2 . 1 1 71 71 THR H H 70 8.403 8.403 8.367 0.036 18277 1255 1 2 . 1 1 72 72 GLU N N 71 123.605 123.605 121.528 2.077 18277 1256 1 2 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.028 0.213 18277 1257 1 2 . 1 1 72 72 GLU C C 71 176.451 176.451 177.262 -0.811 18277 1258 1 2 . 1 1 72 72 GLU CA C 71 57.207 57.207 59.096 -1.889 18277 1259 1 2 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.550 0.860 18277 1260 1 2 . 1 1 72 72 GLU H H 71 8.542 8.542 8.610 -0.068 18277 1261 1 2 . 1 1 73 73 GLU N N 72 119.641 119.641 116.961 2.680 18277 1262 1 2 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.391 -0.280 18277 1263 1 2 . 1 1 73 73 GLU C C 72 175.577 175.577 175.246 0.331 18277 1264 1 2 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.134 0.963 18277 1265 1 2 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.250 -0.906 18277 1266 1 2 . 1 1 73 73 GLU H H 72 8.503 8.503 8.233 0.270 18277 1267 1 2 . 1 1 74 74 ASP N N 73 117.882 117.882 119.593 -1.711 18277 1268 1 2 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.394 0.177 18277 1269 1 2 . 1 1 74 74 ASP C C 73 176.077 176.077 175.503 0.574 18277 1270 1 2 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.079 -0.585 18277 1271 1 2 . 1 1 74 74 ASP CB C 73 40.938 40.938 38.759 2.179 18277 1272 1 2 . 1 1 74 74 ASP H H 73 8.228 8.228 8.425 -0.197 18277 1273 1 2 . 1 1 75 75 ILE N N 74 120.809 120.809 112.391 8.418 18277 1274 1 2 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.244 -0.035 18277 1275 1 2 . 1 1 75 75 ILE C C 74 175.939 175.939 175.753 0.186 18277 1276 1 2 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.367 0.959 18277 1277 1 2 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.462 0.207 18277 1278 1 2 . 1 1 75 75 ILE H H 74 8.089 8.089 8.026 0.063 18277 1279 1 2 . 1 1 76 76 SER N N 75 119.402 119.402 115.724 3.678 18277 1280 1 2 . 1 1 76 76 SER HA H 75 4.652 4.652 4.203 0.449 18277 1281 1 2 . 1 1 76 76 SER C C 75 174.313 174.313 174.044 0.269 18277 1282 1 2 . 1 1 76 76 SER CA C 75 58.778 58.778 58.803 -0.025 18277 1283 1 2 . 1 1 76 76 SER CB C 75 63.860 63.860 63.120 0.740 18277 1284 1 2 . 1 1 76 76 SER H H 75 8.449 8.449 8.289 0.160 18277 1285 1 2 . 1 1 77 77 SER N N 76 118.644 118.644 115.511 3.133 18277 1286 1 2 . 1 1 77 77 SER HA H 76 4.588 4.588 4.469 0.119 18277 1287 1 2 . 1 1 77 77 SER C C 76 173.094 173.094 173.276 -0.182 18277 1288 1 2 . 1 1 77 77 SER CA C 76 57.772 57.772 58.618 -0.846 18277 1289 1 2 . 1 1 77 77 SER CB C 76 64.461 64.461 64.253 0.208 18277 1290 1 2 . 1 1 77 77 SER H H 76 8.280 8.280 7.757 0.523 18277 1291 1 2 . 1 1 78 78 LEU N N 77 123.896 123.896 114.952 8.944 18277 1292 1 2 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.015 -0.017 18277 1293 1 2 . 1 1 78 78 LEU C C 77 177.081 177.081 175.205 1.876 18277 1294 1 2 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.568 0.440 18277 1295 1 2 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.094 -1.073 18277 1296 1 2 . 1 1 78 78 LEU H H 77 7.981 7.981 8.188 -0.207 18277 1297 1 2 . 1 1 79 79 ARG N N 78 123.195 123.195 120.315 2.880 18277 1298 1 2 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.804 0.155 18277 1299 1 2 . 1 1 79 79 ARG C C 78 174.994 174.994 174.514 0.480 18277 1300 1 2 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.101 -0.437 18277 1301 1 2 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.115 0.165 18277 1302 1 2 . 1 1 79 79 ARG H H 78 9.013 9.013 8.283 0.730 18277 1303 1 2 . 1 1 80 80 LEU N N 79 128.388 128.388 126.122 2.266 18277 1304 1 2 . 1 1 80 80 LEU HA H 79 3.778 3.778 4.016 -0.238 18277 1305 1 2 . 1 1 80 80 LEU C C 79 177.216 177.216 176.032 1.184 18277 1306 1 2 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.248 0.801 18277 1307 1 2 . 1 1 80 80 LEU CB C 79 42.285 42.285 42.225 0.060 18277 1308 1 2 . 1 1 80 80 LEU H H 79 8.807 8.807 8.703 0.104 18277 1309 1 2 . 1 1 81 81 LEU N N 80 127.521 127.521 128.634 -1.113 18277 1310 1 2 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.548 0.015 18277 1311 1 2 . 1 1 81 81 LEU C C 80 176.354 176.354 176.261 0.093 18277 1312 1 2 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.775 -0.614 18277 1313 1 2 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.057 0.353 18277 1314 1 2 . 1 1 81 81 LEU H H 80 8.478 8.478 8.252 0.226 18277 1315 1 2 . 1 1 82 82 THR N N 81 121.108 121.108 118.126 2.982 18277 1316 1 2 . 1 1 82 82 THR HA H 81 4.391 4.391 4.565 -0.174 18277 1317 1 2 . 1 1 82 82 THR C C 81 173.678 173.678 174.190 -0.512 18277 1318 1 2 . 1 1 82 82 THR CA C 81 61.112 61.112 61.784 -0.672 18277 1319 1 2 . 1 1 82 82 THR CB C 81 68.941 68.941 68.790 0.152 18277 1320 1 2 . 1 1 82 82 THR H H 81 8.735 8.735 8.305 0.430 18277 1321 1 2 . 1 1 83 83 LEU N N 82 125.276 125.276 125.102 0.174 18277 1322 1 2 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.925 -0.154 18277 1323 1 2 . 1 1 83 83 LEU C C 82 177.192 177.192 175.602 1.590 18277 1324 1 2 . 1 1 83 83 LEU CA C 82 53.414 53.414 52.743 0.671 18277 1325 1 2 . 1 1 83 83 LEU CB C 82 44.525 44.525 43.416 1.109 18277 1326 1 2 . 1 1 83 83 LEU H H 82 7.985 7.985 8.070 -0.085 18277 1327 1 2 . 1 1 84 84 SER N N 83 118.590 118.590 115.134 3.456 18277 1328 1 2 . 1 1 84 84 SER HA H 83 4.591 4.591 4.447 0.144 18277 1329 1 2 . 1 1 84 84 SER C C 83 174.317 174.317 175.500 -1.183 18277 1330 1 2 . 1 1 84 84 SER CA C 83 57.202 57.202 58.200 -0.998 18277 1331 1 2 . 1 1 84 84 SER CB C 83 65.345 65.345 64.898 0.447 18277 1332 1 2 . 1 1 84 84 SER H H 83 9.214 9.214 8.525 0.688 18277 1333 1 2 . 1 1 85 85 ASP N N 84 121.149 121.149 120.132 1.017 18277 1334 1 2 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.486 -0.143 18277 1335 1 2 . 1 1 85 85 ASP C C 84 178.027 178.027 178.048 -0.021 18277 1336 1 2 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.308 1.483 18277 1337 1 2 . 1 1 85 85 ASP CB C 84 41.986 41.986 41.114 0.872 18277 1338 1 2 . 1 1 85 85 ASP H H 84 9.014 9.014 8.876 0.138 18277 1339 1 2 . 1 1 86 86 SER N N 85 111.874 111.874 114.699 -2.825 18277 1340 1 2 . 1 1 86 86 SER HA H 85 4.110 4.110 4.050 0.060 18277 1341 1 2 . 1 1 86 86 SER C C 85 177.696 177.696 175.351 2.345 18277 1342 1 2 . 1 1 86 86 SER CA C 85 61.560 61.560 61.472 0.088 18277 1343 1 2 . 1 1 86 86 SER CB C 85 62.355 62.355 62.973 -0.618 18277 1344 1 2 . 1 1 86 86 SER H H 85 8.467 8.467 8.491 -0.024 18277 1345 1 2 . 1 1 87 87 GLU N N 86 122.948 122.948 117.979 4.969 18277 1346 1 2 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.226 -0.149 18277 1347 1 2 . 1 1 87 87 GLU C C 86 180.335 180.335 177.786 2.549 18277 1348 1 2 . 1 1 87 87 GLU CA C 86 59.036 59.036 57.669 1.367 18277 1349 1 2 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.773 1.046 18277 1350 1 2 . 1 1 87 87 GLU H H 86 7.660 7.660 7.806 -0.146 18277 1351 1 2 . 1 1 88 88 LEU N N 87 122.341 122.341 121.478 0.863 18277 1352 1 2 . 1 1 88 88 LEU HA H 87 3.883 3.883 3.949 -0.066 18277 1353 1 2 . 1 1 88 88 LEU C C 87 178.818 178.818 178.724 0.094 18277 1354 1 2 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.667 0.407 18277 1355 1 2 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.891 0.480 18277 1356 1 2 . 1 1 88 88 LEU H H 87 8.878 8.878 8.010 0.868 18277 1357 1 2 . 1 1 89 89 ARG N N 88 115.874 115.874 118.535 -2.661 18277 1358 1 2 . 1 1 89 89 ARG HA H 88 4.126 4.126 3.967 0.159 18277 1359 1 2 . 1 1 89 89 ARG C C 88 176.552 176.552 178.015 -1.463 18277 1360 1 2 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.733 -0.013 18277 1361 1 2 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.517 0.268 18277 1362 1 2 . 1 1 89 89 ARG H H 88 7.956 7.956 8.350 -0.394 18277 1363 1 2 . 1 1 90 90 SER N N 89 112.295 112.295 112.418 -0.123 18277 1364 1 2 . 1 1 90 90 SER HA H 89 4.565 4.565 4.240 0.325 18277 1365 1 2 . 1 1 90 90 SER C C 89 174.817 174.817 175.657 -0.840 18277 1366 1 2 . 1 1 90 90 SER CA C 89 60.043 60.043 60.868 -0.825 18277 1367 1 2 . 1 1 90 90 SER CB C 89 63.858 63.858 63.192 0.666 18277 1368 1 2 . 1 1 90 90 SER H H 89 7.481 7.481 7.479 0.002 18277 1369 1 2 . 1 1 91 91 ILE N N 90 116.577 116.577 113.994 2.583 18277 1370 1 2 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.272 0.166 18277 1371 1 2 . 1 1 91 91 ILE C C 90 174.636 174.636 175.468 -0.832 18277 1372 1 2 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.507 0.755 18277 1373 1 2 . 1 1 91 91 ILE CB C 90 40.609 40.609 39.024 1.585 18277 1374 1 2 . 1 1 91 91 ILE H H 90 7.372 7.372 7.799 -0.427 18277 1375 1 2 . 1 1 92 92 LEU N N 91 119.723 119.723 119.552 0.171 18277 1376 1 2 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.316 0.325 18277 1377 1 2 . 1 1 92 92 LEU C C 91 175.178 175.178 176.178 -1.000 18277 1378 1 2 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.431 -1.618 18277 1379 1 2 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.455 1.218 18277 1380 1 2 . 1 1 92 92 LEU H H 91 7.900 7.900 7.777 0.123 18277 1381 1 2 . 1 1 93 93 ASN N N 92 119.687 119.687 119.167 0.520 18277 1382 1 2 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.831 0.152 18277 1383 1 2 . 1 1 93 93 ASN C C 92 174.978 174.978 174.407 0.571 18277 1384 1 2 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.136 -0.765 18277 1385 1 2 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.539 -1.808 18277 1386 1 2 . 1 1 93 93 ASN H H 92 8.916 8.916 8.391 0.525 18277 1387 1 2 . 1 1 94 94 LEU N N 93 121.052 121.052 124.119 -3.067 18277 1388 1 2 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.349 -0.403 18277 1389 1 2 . 1 1 94 94 LEU C C 93 177.367 177.367 178.362 -0.995 18277 1390 1 2 . 1 1 94 94 LEU CA C 93 57.051 57.051 55.934 1.117 18277 1391 1 2 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.167 0.605 18277 1392 1 2 . 1 1 94 94 LEU H H 93 8.172 8.172 8.691 -0.519 18277 1393 1 2 . 1 1 95 95 GLY N N 94 105.340 105.340 106.965 -1.625 18277 1394 1 2 . 1 1 95 95 GLY C C 94 176.133 176.133 175.985 0.148 18277 1395 1 2 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.178 0.171 18277 1396 1 2 . 1 1 95 95 GLY H H 94 8.281 8.281 8.062 0.219 18277 1397 1 2 . 1 1 96 96 THR N N 95 117.040 117.040 117.988 -0.948 18277 1398 1 2 . 1 1 96 96 THR HA H 95 4.242 4.242 4.475 -0.233 18277 1399 1 2 . 1 1 96 96 THR C C 95 175.349 175.349 174.729 0.620 18277 1400 1 2 . 1 1 96 96 THR CA C 95 61.859 61.859 61.818 0.041 18277 1401 1 2 . 1 1 96 96 THR CB C 95 68.399 68.399 70.005 -1.607 18277 1402 1 2 . 1 1 96 96 THR H H 95 8.419 8.419 8.136 0.283 18277 1403 1 2 . 1 1 97 97 PHE N N 96 122.590 122.590 120.236 2.354 18277 1404 1 2 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.529 0.193 18277 1405 1 2 . 1 1 97 97 PHE C C 96 174.704 174.704 175.547 -0.843 18277 1406 1 2 . 1 1 97 97 PHE CA C 96 58.599 58.599 58.105 0.494 18277 1407 1 2 . 1 1 97 97 PHE CB C 96 39.149 39.149 40.088 -0.939 18277 1408 1 2 . 1 1 97 97 PHE H H 96 8.517 8.517 8.373 0.144 18277 1409 1 2 . 1 1 98 98 SER N N 97 114.201 114.201 113.895 0.306 18277 1410 1 2 . 1 1 98 98 SER HA H 97 4.859 4.859 4.622 0.237 18277 1411 1 2 . 1 1 98 98 SER C C 97 173.002 173.002 172.899 0.103 18277 1412 1 2 . 1 1 98 98 SER CA C 97 57.346 57.346 57.654 -0.308 18277 1413 1 2 . 1 1 98 98 SER CB C 97 65.739 65.739 65.326 0.413 18277 1414 1 2 . 1 1 98 98 SER H H 97 9.129 9.129 8.279 0.850 18277 1415 1 2 . 1 1 99 99 VAL N N 98 120.191 120.191 118.416 1.775 18277 1416 1 2 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.534 0.985 18277 1417 1 2 . 1 1 99 99 VAL C C 98 175.574 175.574 174.611 0.963 18277 1418 1 2 . 1 1 99 99 VAL CA C 98 59.390 59.390 61.169 -1.779 18277 1419 1 2 . 1 1 99 99 VAL CB C 98 35.426 35.426 36.413 -0.987 18277 1420 1 2 . 1 1 99 99 VAL H H 98 8.655 8.655 8.385 0.270 18277 1421 1 2 . 1 1 100 100 THR N N 99 120.623 120.623 120.514 0.109 18277 1422 1 2 . 1 1 100 100 THR HA H 99 4.729 4.729 4.698 0.031 18277 1423 1 2 . 1 1 100 100 THR C C 99 172.605 172.605 172.463 0.142 18277 1424 1 2 . 1 1 100 100 THR CA C 99 61.114 61.114 62.089 -0.975 18277 1425 1 2 . 1 1 100 100 THR CB C 99 71.850 71.850 70.645 1.205 18277 1426 1 2 . 1 1 100 100 THR H H 99 8.997 8.997 8.550 0.447 18277 1427 1 2 . 1 1 101 101 LEU N N 100 127.613 127.613 128.928 -1.315 18277 1428 1 2 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.224 -0.276 18277 1429 1 2 . 1 1 101 101 LEU C C 100 176.666 176.666 175.926 0.740 18277 1430 1 2 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.926 0.763 18277 1431 1 2 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.586 -0.420 18277 1432 1 2 . 1 1 101 101 LEU H H 100 8.766 8.766 8.586 0.180 18277 1433 1 2 . 1 1 102 102 SER N N 101 119.771 119.771 121.758 -1.987 18277 1434 1 2 . 1 1 102 102 SER HA H 101 4.749 4.749 4.943 -0.194 18277 1435 1 2 . 1 1 102 102 SER C C 101 173.477 173.477 172.381 1.096 18277 1436 1 2 . 1 1 102 102 SER CA C 101 57.514 57.514 56.875 0.639 18277 1437 1 2 . 1 1 102 102 SER CB C 101 65.024 65.024 66.235 -1.211 18277 1438 1 2 . 1 1 102 102 SER H H 101 8.926 8.926 8.660 0.266 18277 1439 1 2 . 1 1 103 103 THR N N 102 117.853 117.853 118.530 -0.677 18277 1440 1 2 . 1 1 103 103 THR HA H 102 4.618 4.618 4.713 -0.095 18277 1441 1 2 . 1 1 103 103 THR C C 102 174.020 174.020 174.033 -0.013 18277 1442 1 2 . 1 1 103 103 THR CA C 102 61.991 61.991 60.871 1.120 18277 1443 1 2 . 1 1 103 103 THR CB C 102 69.972 69.972 70.961 -0.989 18277 1444 1 2 . 1 1 103 103 THR H H 102 8.409 8.409 8.247 0.162 18277 1445 1 2 . 1 1 104 104 ASP N N 103 125.295 125.295 123.640 1.655 18277 1446 1 2 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.801 -0.093 18277 1447 1 2 . 1 1 104 104 ASP C C 103 176.908 176.908 178.649 -1.741 18277 1448 1 2 . 1 1 104 104 ASP CA C 103 53.559 53.559 53.581 -0.022 18277 1449 1 2 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.711 -0.466 18277 1450 1 2 . 1 1 104 104 ASP H H 103 8.598 8.598 8.207 0.391 18277 1451 1 2 . 1 1 105 105 MET N N 104 122.470 122.470 118.638 3.832 18277 1452 1 2 . 1 1 105 105 MET HA H 104 4.270 4.270 4.343 -0.073 18277 1453 1 2 . 1 1 105 105 MET C C 104 177.354 177.354 176.224 1.130 18277 1454 1 2 . 1 1 105 105 MET CA C 104 57.300 57.300 57.769 -0.469 18277 1455 1 2 . 1 1 105 105 MET CB C 104 32.108 32.108 32.467 -0.359 18277 1456 1 2 . 1 1 105 105 MET H H 104 8.719 8.719 8.528 0.191 18277 1457 1 2 . 1 1 106 106 GLU N N 105 118.752 118.752 118.285 0.467 18277 1458 1 2 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.267 -0.031 18277 1459 1 2 . 1 1 106 106 GLU C C 105 177.172 177.172 176.422 0.750 18277 1460 1 2 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.203 1.526 18277 1461 1 2 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.622 0.154 18277 1462 1 2 . 1 1 106 106 GLU H H 105 8.306 8.306 7.733 0.573 18277 1463 1 2 . 1 1 107 107 MET N N 106 116.736 116.736 116.533 0.203 18277 1464 1 2 . 1 1 107 107 MET HA H 106 4.329 4.329 4.053 0.276 18277 1465 1 2 . 1 1 107 107 MET C C 106 176.319 176.319 174.854 1.465 18277 1466 1 2 . 1 1 107 107 MET CA C 106 55.514 55.514 56.435 -0.921 18277 1467 1 2 . 1 1 107 107 MET CB C 106 31.566 31.566 31.410 0.157 18277 1468 1 2 . 1 1 107 107 MET H H 106 8.206 8.206 7.811 0.395 18277 1469 1 2 . 1 1 108 108 LYS N N 107 117.661 117.661 117.401 0.260 18277 1470 1 2 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.249 -0.163 18277 1471 1 2 . 1 1 108 108 LYS C C 107 176.049 176.049 175.539 0.510 18277 1472 1 2 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.816 0.284 18277 1473 1 2 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.668 -1.778 18277 1474 1 2 . 1 1 108 108 LYS H H 107 8.382 8.382 8.351 0.031 18277 1475 1 2 . 1 1 109 109 SER N N 108 113.019 113.019 113.940 -0.921 18277 1476 1 2 . 1 1 109 109 SER HA H 108 4.566 4.566 4.646 -0.080 18277 1477 1 2 . 1 1 109 109 SER C C 108 172.969 172.969 172.168 0.801 18277 1478 1 2 . 1 1 109 109 SER CA C 108 56.997 56.997 56.875 0.122 18277 1479 1 2 . 1 1 109 109 SER CB C 108 65.035 65.035 65.646 -0.611 18277 1480 1 2 . 1 1 109 109 SER H H 108 7.892 7.892 7.409 0.483 18277 1481 1 2 . 1 1 110 110 VAL N N 109 121.915 121.915 118.785 3.130 18277 1482 1 2 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.227 0.175 18277 1483 1 2 . 1 1 110 110 VAL C C 109 174.706 174.706 173.467 1.239 18277 1484 1 2 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.663 1.311 18277 1485 1 2 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.101 -2.021 18277 1486 1 2 . 1 1 110 110 VAL H H 109 7.878 7.878 7.770 0.108 18277 1487 1 2 . 1 1 111 111 TYR N N 110 122.247 122.247 117.688 4.559 18277 1488 1 2 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.785 -0.449 18277 1489 1 2 . 1 1 111 111 TYR C C 110 173.915 173.915 173.760 0.155 18277 1490 1 2 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.627 1.636 18277 1491 1 2 . 1 1 111 111 TYR CB C 110 43.222 43.222 41.298 1.923 18277 1492 1 2 . 1 1 111 111 TYR H H 110 8.317 8.317 7.889 0.428 18277 1493 1 2 . 1 1 112 112 TYR N N 111 117.096 117.096 119.031 -1.935 18277 1494 1 2 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.678 0.191 18277 1495 1 2 . 1 1 112 112 TYR C C 111 175.418 175.418 175.156 0.262 18277 1496 1 2 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.197 0.986 18277 1497 1 2 . 1 1 112 112 TYR CB C 111 38.681 38.681 37.057 1.624 18277 1498 1 2 . 1 1 112 112 TYR H H 111 8.690 8.690 8.517 0.173 18277 1499 1 2 . 1 1 113 113 TYR N N 112 120.208 120.208 122.613 -2.405 18277 1500 1 2 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.965 -0.026 18277 1501 1 2 . 1 1 113 113 TYR C C 112 176.674 176.674 176.435 0.239 18277 1502 1 2 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.836 -1.269 18277 1503 1 2 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.307 2.617 18277 1504 1 2 . 1 1 113 113 TYR H H 112 9.374 9.374 8.536 0.838 18277 1505 1 2 . 1 1 114 114 ILE N N 113 121.490 121.490 124.681 -3.191 18277 1506 1 2 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.300 0.521 18277 1507 1 2 . 1 1 114 114 ILE C C 113 176.329 176.329 176.038 0.291 18277 1508 1 2 . 1 1 114 114 ILE CA C 113 60.039 60.039 60.997 -0.958 18277 1509 1 2 . 1 1 114 114 ILE CB C 113 36.965 36.965 39.318 -2.353 18277 1510 1 2 . 1 1 114 114 ILE H H 113 8.076 8.076 8.072 0.004 18277 1511 1 2 . 1 1 115 115 ASN N N 114 129.212 129.212 125.468 3.744 18277 1512 1 2 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.575 0.126 18277 1513 1 2 . 1 1 115 115 ASN C C 114 175.914 175.914 174.681 1.233 18277 1514 1 2 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.989 0.033 18277 1515 1 2 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.859 -0.310 18277 1516 1 2 . 1 1 115 115 ASN H H 114 8.959 8.959 9.084 -0.125 18277 1517 1 2 . 1 1 116 116 ASN N N 115 121.613 121.613 121.134 0.479 18277 1518 1 2 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.140 -0.271 18277 1519 1 2 . 1 1 116 116 ASN C C 115 178.040 178.040 176.051 1.989 18277 1520 1 2 . 1 1 116 116 ASN CA C 115 52.780 52.780 53.050 -0.270 18277 1521 1 2 . 1 1 116 116 ASN CB C 115 39.096 39.096 39.113 -0.017 18277 1522 1 2 . 1 1 116 116 ASN H H 115 8.464 8.464 8.454 0.010 18277 1523 1 2 . 1 1 117 117 CYS N N 116 120.777 120.777 117.328 3.449 18277 1524 1 2 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.874 -0.130 18277 1525 1 2 . 1 1 117 117 CYS C C 116 174.635 174.635 175.104 -0.469 18277 1526 1 2 . 1 1 117 117 CYS CA C 116 60.087 60.087 60.952 -0.865 18277 1527 1 2 . 1 1 117 117 CYS CB C 116 27.456 27.456 26.804 0.652 18277 1528 1 2 . 1 1 117 117 CYS H H 116 8.256 8.256 8.055 0.201 18277 1529 1 2 . 1 1 118 118 ASP N N 117 119.926 119.926 122.835 -2.909 18277 1530 1 2 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.759 0.140 18277 1531 1 2 . 1 1 118 118 ASP C C 117 176.225 176.225 176.087 0.138 18277 1532 1 2 . 1 1 118 118 ASP CA C 117 53.410 53.410 54.231 -0.821 18277 1533 1 2 . 1 1 118 118 ASP CB C 117 40.174 40.174 38.818 1.356 18277 1534 1 2 . 1 1 118 118 ASP H H 117 8.420 8.420 8.364 0.056 18277 1535 1 2 . 1 1 119 119 THR N N 118 116.185 116.185 114.967 1.218 18277 1536 1 2 . 1 1 119 119 THR HA H 118 4.315 4.315 4.304 0.011 18277 1537 1 2 . 1 1 119 119 THR C C 118 175.349 175.349 175.627 -0.278 18277 1538 1 2 . 1 1 119 119 THR CA C 118 66.029 66.029 67.166 -1.137 18277 1539 1 2 . 1 1 119 119 THR CB C 118 69.654 69.654 69.586 0.068 18277 1540 1 2 . 1 1 119 119 THR H H 118 7.712 7.712 7.730 -0.018 18277 1541 1 2 . 1 1 120 120 ASP N N 119 120.938 120.938 120.870 0.068 18277 1542 1 2 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.613 -0.080 18277 1543 1 2 . 1 1 120 120 ASP C C 119 177.991 177.991 177.113 0.878 18277 1544 1 2 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.400 -0.494 18277 1545 1 2 . 1 1 120 120 ASP CB C 119 40.937 40.937 39.974 0.963 18277 1546 1 2 . 1 1 120 120 ASP H H 119 8.730 8.730 8.786 -0.056 18277 1547 1 2 . 1 1 121 121 ALA N N 120 122.818 122.818 120.031 2.787 18277 1548 1 2 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.301 -0.123 18277 1549 1 2 . 1 1 121 121 ALA C C 120 178.787 178.787 177.979 0.808 18277 1550 1 2 . 1 1 121 121 ALA CA C 120 53.891 53.891 52.912 0.979 18277 1551 1 2 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.773 -0.302 18277 1552 1 2 . 1 1 121 121 ALA H H 120 8.033 8.033 8.000 0.033 18277 1553 1 2 . 1 1 122 122 ASN N N 121 116.085 116.085 117.079 -0.994 18277 1554 1 2 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.686 -0.052 18277 1555 1 2 . 1 1 122 122 ASN C C 121 176.235 176.235 177.010 -0.775 18277 1556 1 2 . 1 1 122 122 ASN CA C 121 54.496 54.496 55.569 -1.073 18277 1557 1 2 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.870 -0.981 18277 1558 1 2 . 1 1 122 122 ASN H H 121 8.128 8.128 7.856 0.272 18277 1559 1 2 . 1 1 123 123 VAL N N 122 117.803 117.803 116.312 1.491 18277 1560 1 2 . 1 1 123 123 VAL HA H 122 3.962 3.962 4.055 -0.093 18277 1561 1 2 . 1 1 123 123 VAL C C 122 176.973 176.973 176.649 0.324 18277 1562 1 2 . 1 1 123 123 VAL CA C 122 63.916 63.916 62.740 1.176 18277 1563 1 2 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.386 0.509 18277 1564 1 2 . 1 1 123 123 VAL H H 122 8.262 8.262 8.200 0.062 18277 1565 1 2 . 1 1 124 124 GLY N N 123 110.472 110.472 108.937 1.535 18277 1566 1 2 . 1 1 124 124 GLY C C 123 174.107 174.107 175.061 -0.954 18277 1567 1 2 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.993 -1.592 18277 1568 1 2 . 1 1 124 124 GLY H H 123 8.172 8.172 8.706 -0.534 18277 1569 1 2 . 1 1 125 125 SER N N 124 113.065 113.065 115.594 -2.529 18277 1570 1 2 . 1 1 125 125 SER HA H 124 4.529 4.529 4.393 0.136 18277 1571 1 2 . 1 1 125 125 SER C C 124 174.664 174.664 174.054 0.610 18277 1572 1 2 . 1 1 125 125 SER CA C 124 58.981 58.981 59.293 -0.312 18277 1573 1 2 . 1 1 125 125 SER CB C 124 64.492 64.492 65.098 -0.606 18277 1574 1 2 . 1 1 125 125 SER H H 124 8.139 8.139 8.320 -0.181 18277 1575 1 2 . 1 1 126 126 ASP N N 125 121.312 121.312 119.917 1.395 18277 1576 1 2 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.918 -0.211 18277 1577 1 2 . 1 1 126 126 ASP C C 125 177.029 177.029 175.947 1.082 18277 1578 1 2 . 1 1 126 126 ASP CA C 125 54.232 54.232 53.638 0.594 18277 1579 1 2 . 1 1 126 126 ASP CB C 125 40.878 40.878 43.757 -2.878 18277 1580 1 2 . 1 1 126 126 ASP H H 125 8.146 8.146 8.251 -0.105 18277 1581 1 2 . 1 1 127 127 VAL N N 126 123.444 123.444 121.815 1.629 18277 1582 1 2 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.759 0.067 18277 1583 1 2 . 1 1 127 127 VAL C C 126 177.304 177.304 177.629 -0.325 18277 1584 1 2 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.509 1.390 18277 1585 1 2 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.846 0.376 18277 1586 1 2 . 1 1 127 127 VAL H H 126 8.474 8.474 8.506 -0.032 18277 1587 1 2 . 1 1 128 128 GLU N N 127 120.874 120.874 119.871 1.003 18277 1588 1 2 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.225 -0.292 18277 1589 1 2 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.775 -0.115 18277 1590 1 2 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.159 -0.079 18277 1591 1 2 . 1 1 128 128 GLU H H 127 8.504 8.504 8.575 -0.071 18277 1592 1 2 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.870 -0.121 18277 1593 1 2 . 1 1 129 129 HIS C C 128 174.898 174.898 174.788 0.110 18277 1594 1 2 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.065 2.383 18277 1595 1 2 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.197 0.848 18277 1596 1 2 . 1 1 130 130 TYR N N 129 122.615 122.615 122.914 -0.299 18277 1597 1 2 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.474 -0.474 18277 1598 1 2 . 1 1 130 130 TYR C C 129 178.544 178.544 176.945 1.599 18277 1599 1 2 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.827 0.281 18277 1600 1 2 . 1 1 130 130 TYR CB C 129 39.542 39.542 39.277 0.265 18277 1601 1 2 . 1 1 130 130 TYR H H 129 8.118 8.118 7.891 0.227 18277 1602 1 2 . 1 1 131 131 LEU N N 130 116.037 116.037 118.657 -2.620 18277 1603 1 2 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.212 0.137 18277 1604 1 2 . 1 1 131 131 LEU C C 130 179.368 179.368 179.314 0.054 18277 1605 1 2 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.949 0.867 18277 1606 1 2 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.965 0.404 18277 1607 1 2 . 1 1 131 131 LEU H H 130 9.092 9.092 8.587 0.505 18277 1608 1 2 . 1 1 132 132 THR N N 131 113.629 113.629 109.040 4.589 18277 1609 1 2 . 1 1 132 132 THR HA H 131 4.007 4.007 4.209 -0.202 18277 1610 1 2 . 1 1 132 132 THR C C 131 177.255 177.255 176.158 1.097 18277 1611 1 2 . 1 1 132 132 THR CA C 131 66.505 66.505 65.178 1.327 18277 1612 1 2 . 1 1 132 132 THR CB C 131 68.052 68.052 69.015 -0.963 18277 1613 1 2 . 1 1 132 132 THR H H 131 8.129 8.129 7.879 0.250 18277 1614 1 2 . 1 1 133 133 ARG N N 132 124.720 124.720 121.920 2.800 18277 1615 1 2 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.025 0.091 18277 1616 1 2 . 1 1 133 133 ARG C C 132 178.921 178.921 177.787 1.134 18277 1617 1 2 . 1 1 133 133 ARG CA C 132 60.037 60.037 59.071 0.966 18277 1618 1 2 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.235 0.039 18277 1619 1 2 . 1 1 133 133 ARG H H 132 8.187 8.187 8.151 0.036 18277 1620 1 2 . 1 1 134 134 TRP N N 133 120.307 120.307 119.728 0.579 18277 1621 1 2 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.483 -0.256 18277 1622 1 2 . 1 1 134 134 TRP C C 133 177.823 177.823 177.566 0.257 18277 1623 1 2 . 1 1 134 134 TRP CA C 133 62.470 62.470 60.096 2.374 18277 1624 1 2 . 1 1 134 134 TRP CB C 133 28.755 28.755 29.961 -1.206 18277 1625 1 2 . 1 1 134 134 TRP H H 133 9.167 9.167 8.246 0.921 18277 1626 1 2 . 1 1 135 135 ILE N N 134 117.595 117.595 121.126 -3.531 18277 1627 1 2 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.166 0.417 18277 1628 1 2 . 1 1 135 135 ILE C C 134 176.333 176.333 177.706 -1.373 18277 1629 1 2 . 1 1 135 135 ILE CA C 134 60.708 60.708 64.404 -3.696 18277 1630 1 2 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.239 -1.106 18277 1631 1 2 . 1 1 135 135 ILE H H 134 9.000 9.000 7.954 1.046 18277 1632 1 2 . 1 1 136 136 SER N N 135 116.548 116.548 113.649 2.899 18277 1633 1 2 . 1 1 136 136 SER HA H 135 3.931 3.931 3.892 0.039 18277 1634 1 2 . 1 1 136 136 SER C C 135 174.339 174.339 175.888 -1.549 18277 1635 1 2 . 1 1 136 136 SER CA C 135 62.535 62.535 61.136 1.399 18277 1636 1 2 . 1 1 136 136 SER CB C 135 62.820 62.820 62.892 -0.072 18277 1637 1 2 . 1 1 136 136 SER H H 135 7.592 7.592 8.210 -0.618 18277 1638 1 2 . 1 1 137 137 LEU N N 136 119.693 119.693 119.566 0.127 18277 1639 1 2 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.165 0.032 18277 1640 1 2 . 1 1 137 137 LEU C C 136 178.376 178.376 176.945 1.431 18277 1641 1 2 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.428 0.688 18277 1642 1 2 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.400 0.588 18277 1643 1 2 . 1 1 137 137 LEU H H 136 7.247 7.247 7.610 -0.363 18277 1644 1 2 . 1 1 138 138 TYR N N 137 116.295 116.295 114.840 1.455 18277 1645 1 2 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.306 -0.662 18277 1646 1 2 . 1 1 138 138 TYR C C 137 178.142 178.142 177.316 0.826 18277 1647 1 2 . 1 1 138 138 TYR CA C 137 61.396 61.396 59.460 1.936 18277 1648 1 2 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.669 -0.762 18277 1649 1 2 . 1 1 138 138 TYR H H 137 8.057 8.057 7.805 0.252 18277 1650 1 2 . 1 1 139 139 ILE N N 138 117.755 117.755 120.424 -2.669 18277 1651 1 2 . 1 1 139 139 ILE HA H 138 3.818 3.818 4.067 -0.249 18277 1652 1 2 . 1 1 139 139 ILE C C 138 176.943 176.943 176.329 0.614 18277 1653 1 2 . 1 1 139 139 ILE CA C 138 61.684 61.684 60.145 1.539 18277 1654 1 2 . 1 1 139 139 ILE CB C 138 36.768 36.768 37.746 -0.978 18277 1655 1 2 . 1 1 139 139 ILE H H 138 8.371 8.371 8.357 0.014 18277 1656 1 2 . 1 1 140 140 ARG N N 139 118.103 118.103 118.836 -0.733 18277 1657 1 2 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.248 -0.173 18277 1658 1 2 . 1 1 140 140 ARG C C 139 176.776 176.776 176.742 0.034 18277 1659 1 2 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.404 -0.875 18277 1660 1 2 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.602 0.239 18277 1661 1 2 . 1 1 140 140 ARG H H 139 6.762 6.762 8.069 -1.307 18277 1662 1 2 . 1 1 141 141 ILE N N 140 117.603 117.603 117.384 0.219 18277 1663 1 2 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.992 -0.221 18277 1664 1 2 . 1 1 141 141 ILE C C 140 176.448 176.448 176.194 0.254 18277 1665 1 2 . 1 1 141 141 ILE CA C 140 63.370 63.370 62.553 0.817 18277 1666 1 2 . 1 1 141 141 ILE CB C 140 38.819 38.819 38.041 0.777 18277 1667 1 2 . 1 1 141 141 ILE H H 140 7.056 7.056 7.167 -0.111 18277 1668 1 2 . 1 1 142 142 PHE N N 141 114.969 114.969 118.114 -3.145 18277 1669 1 2 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.580 -0.186 18277 1670 1 2 . 1 1 142 142 PHE C C 141 175.503 175.503 175.076 0.427 18277 1671 1 2 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.602 -0.476 18277 1672 1 2 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.676 -1.238 18277 1673 1 2 . 1 1 142 142 PHE H H 141 7.287 7.287 7.810 -0.523 18277 1674 1 2 . 1 1 143 143 ASP N N 142 116.492 116.492 117.690 -1.198 18277 1675 1 2 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.938 -0.193 18277 1676 1 2 . 1 1 143 143 ASP C C 142 175.131 175.131 175.504 -0.373 18277 1677 1 2 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.842 0.171 18277 1678 1 2 . 1 1 143 143 ASP CB C 142 42.996 42.996 43.005 -0.009 18277 1679 1 2 . 1 1 143 143 ASP H H 142 7.697 7.697 8.171 -0.474 18277 1680 1 2 . 1 1 144 144 LEU N N 143 126.435 126.435 122.006 4.429 18277 1681 1 2 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.273 -0.087 18277 1682 1 2 . 1 1 144 144 LEU C C 143 177.297 177.297 176.762 0.535 18277 1683 1 2 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.624 1.316 18277 1684 1 2 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.904 0.705 18277 1685 1 2 . 1 1 144 144 LEU H H 143 8.790 8.790 8.664 0.126 18277 1686 1 2 . 1 1 145 145 ASN N N 144 114.711 114.711 114.881 -0.170 18277 1687 1 2 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.747 0.076 18277 1688 1 2 . 1 1 145 145 ASN C C 144 174.879 174.879 174.483 0.396 18277 1689 1 2 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.395 -0.244 18277 1690 1 2 . 1 1 145 145 ASN CB C 144 39.695 39.695 39.524 0.171 18277 1691 1 2 . 1 1 145 145 ASN H H 144 8.569 8.569 7.990 0.579 18277 1692 1 2 . 1 1 146 146 PHE N N 145 121.472 121.472 121.237 0.235 18277 1693 1 2 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.571 -0.062 18277 1694 1 2 . 1 1 146 146 PHE C C 145 173.397 173.397 173.384 0.013 18277 1695 1 2 . 1 1 146 146 PHE CA C 145 57.895 57.895 56.533 1.362 18277 1696 1 2 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.836 0.151 18277 1697 1 2 . 1 1 146 146 PHE H H 145 7.214 7.214 7.963 -0.749 18277 1698 1 2 . 1 1 147 147 VAL N N 146 128.813 128.813 124.570 4.243 18277 1699 1 2 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.273 -0.201 18277 1700 1 2 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.961 0.737 18277 1701 1 2 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.445 2.024 18277 1702 1 2 . 1 1 147 147 VAL H H 146 7.666 7.666 8.161 -0.495 18277 1703 1 3 . 1 1 2 2 MET N N 1 121.461 121.461 119.106 2.355 18277 1704 1 3 . 1 1 2 2 MET HA H 1 4.581 4.581 4.652 -0.071 18277 1705 1 3 . 1 1 2 2 MET C C 1 175.184 175.184 174.756 0.428 18277 1706 1 3 . 1 1 2 2 MET CA C 1 55.447 55.447 54.298 1.149 18277 1707 1 3 . 1 1 2 2 MET CB C 1 34.107 34.107 33.292 0.814 18277 1708 1 3 . 1 1 2 2 MET H H 1 8.431 8.431 8.315 0.116 18277 1709 1 3 . 1 1 3 3 LEU N N 2 123.575 123.575 125.683 -2.108 18277 1710 1 3 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.139 0.331 18277 1711 1 3 . 1 1 3 3 LEU C C 2 176.479 176.479 176.835 -0.356 18277 1712 1 3 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.299 -0.755 18277 1713 1 3 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.544 1.656 18277 1714 1 3 . 1 1 3 3 LEU H H 2 8.678 8.678 7.871 0.807 18277 1715 1 3 . 1 1 4 4 THR N N 3 119.326 119.326 122.871 -3.545 18277 1716 1 3 . 1 1 4 4 THR HA H 3 4.398 4.398 4.319 0.078 18277 1717 1 3 . 1 1 4 4 THR C C 3 173.920 173.920 176.119 -2.199 18277 1718 1 3 . 1 1 4 4 THR CA C 3 61.025 61.025 63.130 -2.104 18277 1719 1 3 . 1 1 4 4 THR CB C 3 71.090 71.090 69.331 1.759 18277 1720 1 3 . 1 1 4 4 THR H H 3 8.541 8.541 8.364 0.177 18277 1721 1 3 . 1 1 5 5 LEU N N 4 122.107 122.107 123.358 -1.251 18277 1722 1 3 . 1 1 5 5 LEU HA H 4 3.288 3.288 4.236 -0.948 18277 1723 1 3 . 1 1 5 5 LEU CA C 4 59.092 59.092 59.012 0.080 18277 1724 1 3 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.965 -0.159 18277 1725 1 3 . 1 1 5 5 LEU H H 4 8.777 8.777 8.675 0.102 18277 1726 1 3 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.494 -0.148 18277 1727 1 3 . 1 1 6 6 PRO C C 5 179.812 179.812 177.590 2.222 18277 1728 1 3 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.790 1.470 18277 1729 1 3 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.119 -0.060 18277 1730 1 3 . 1 1 7 7 GLU N N 6 117.744 117.744 116.674 1.070 18277 1731 1 3 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.259 -0.233 18277 1732 1 3 . 1 1 7 7 GLU C C 6 178.359 178.359 177.284 1.075 18277 1733 1 3 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.301 0.802 18277 1734 1 3 . 1 1 7 7 GLU CB C 6 30.270 30.270 29.740 0.530 18277 1735 1 3 . 1 1 7 7 GLU H H 6 7.088 7.088 8.261 -1.173 18277 1736 1 3 . 1 1 8 8 TYR N N 7 120.825 120.825 117.829 2.996 18277 1737 1 3 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.478 -0.583 18277 1738 1 3 . 1 1 8 8 TYR C C 7 176.641 176.641 177.032 -0.391 18277 1739 1 3 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.871 1.648 18277 1740 1 3 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.042 -1.315 18277 1741 1 3 . 1 1 8 8 TYR H H 7 8.310 8.310 8.076 0.234 18277 1742 1 3 . 1 1 9 9 ASN N N 8 118.086 118.086 118.440 -0.354 18277 1743 1 3 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.129 0.189 18277 1744 1 3 . 1 1 9 9 ASN C C 8 179.060 179.060 177.309 1.751 18277 1745 1 3 . 1 1 9 9 ASN CA C 8 55.774 55.774 54.856 0.918 18277 1746 1 3 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.572 0.737 18277 1747 1 3 . 1 1 9 9 ASN H H 8 8.791 8.791 8.155 0.636 18277 1748 1 3 . 1 1 10 10 GLU N N 9 120.057 120.057 119.907 0.150 18277 1749 1 3 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.207 -0.094 18277 1750 1 3 . 1 1 10 10 GLU C C 9 177.853 177.853 177.035 0.818 18277 1751 1 3 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.556 -0.050 18277 1752 1 3 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.447 0.194 18277 1753 1 3 . 1 1 10 10 GLU H H 9 8.013 8.013 7.971 0.042 18277 1754 1 3 . 1 1 11 11 GLN N N 10 116.468 116.468 117.226 -0.758 18277 1755 1 3 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.617 -0.167 18277 1756 1 3 . 1 1 11 11 GLN C C 10 177.470 177.470 176.320 1.150 18277 1757 1 3 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.123 1.874 18277 1758 1 3 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.285 1.440 18277 1759 1 3 . 1 1 11 11 GLN H H 10 7.488 7.488 7.429 0.059 18277 1760 1 3 . 1 1 12 12 ILE N N 11 124.393 124.393 122.594 1.799 18277 1761 1 3 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.825 0.003 18277 1762 1 3 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.694 -2.188 18277 1763 1 3 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.695 -1.437 18277 1764 1 3 . 1 1 12 12 ILE H H 11 7.605 7.605 7.177 0.428 18277 1765 1 3 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.535 -0.298 18277 1766 1 3 . 1 1 13 13 PRO C C 12 179.113 179.113 177.607 1.506 18277 1767 1 3 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.604 1.823 18277 1768 1 3 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.712 0.365 18277 1769 1 3 . 1 1 14 14 ASN N N 13 115.499 115.499 118.598 -3.099 18277 1770 1 3 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.694 -0.102 18277 1771 1 3 . 1 1 14 14 ASN C C 13 178.208 178.208 177.275 0.933 18277 1772 1 3 . 1 1 14 14 ASN CA C 13 55.791 55.791 55.210 0.581 18277 1773 1 3 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.163 -0.119 18277 1774 1 3 . 1 1 14 14 ASN H H 13 7.793 7.793 7.862 -0.069 18277 1775 1 3 . 1 1 15 15 VAL N N 14 121.205 121.205 121.431 -0.226 18277 1776 1 3 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.789 -0.089 18277 1777 1 3 . 1 1 15 15 VAL C C 14 176.999 176.999 177.475 -0.476 18277 1778 1 3 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.033 0.511 18277 1779 1 3 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.509 -0.084 18277 1780 1 3 . 1 1 15 15 VAL H H 14 7.704 7.704 7.876 -0.172 18277 1781 1 3 . 1 1 16 16 ARG N N 15 121.067 121.067 118.935 2.132 18277 1782 1 3 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.059 -0.345 18277 1783 1 3 . 1 1 16 16 ARG C C 15 178.150 178.150 178.210 -0.060 18277 1784 1 3 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.652 0.868 18277 1785 1 3 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.455 0.760 18277 1786 1 3 . 1 1 16 16 ARG H H 15 8.855 8.855 7.756 1.099 18277 1787 1 3 . 1 1 17 17 SER N N 16 112.741 112.741 116.499 -3.758 18277 1788 1 3 . 1 1 17 17 SER HA H 16 4.245 4.245 4.264 -0.019 18277 1789 1 3 . 1 1 17 17 SER C C 16 177.177 177.177 176.142 1.035 18277 1790 1 3 . 1 1 17 17 SER CA C 16 61.756 61.756 61.322 0.434 18277 1791 1 3 . 1 1 17 17 SER CB C 16 62.785 62.785 62.850 -0.065 18277 1792 1 3 . 1 1 17 17 SER H H 16 7.987 7.987 7.694 0.293 18277 1793 1 3 . 1 1 18 18 LEU N N 17 122.703 122.703 117.208 5.495 18277 1794 1 3 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.573 -0.316 18277 1795 1 3 . 1 1 18 18 LEU C C 17 179.350 179.350 178.852 0.498 18277 1796 1 3 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.024 1.460 18277 1797 1 3 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.316 1.159 18277 1798 1 3 . 1 1 18 18 LEU H H 17 7.728 7.728 7.525 0.203 18277 1799 1 3 . 1 1 19 19 LEU N N 18 116.536 116.536 122.478 -5.942 18277 1800 1 3 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.371 -0.140 18277 1801 1 3 . 1 1 19 19 LEU C C 18 178.556 178.556 178.717 -0.161 18277 1802 1 3 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.653 -0.377 18277 1803 1 3 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.121 0.595 18277 1804 1 3 . 1 1 19 19 LEU H H 18 8.367 8.367 8.835 -0.468 18277 1805 1 3 . 1 1 20 20 THR N N 19 111.172 111.172 111.740 -0.568 18277 1806 1 3 . 1 1 20 20 THR HA H 19 4.072 4.072 4.064 0.008 18277 1807 1 3 . 1 1 20 20 THR C C 19 175.433 175.433 175.827 -0.394 18277 1808 1 3 . 1 1 20 20 THR CA C 19 65.421 65.421 64.721 0.701 18277 1809 1 3 . 1 1 20 20 THR CB C 19 69.541 69.541 67.979 1.562 18277 1810 1 3 . 1 1 20 20 THR H H 19 7.926 7.926 7.997 -0.071 18277 1811 1 3 . 1 1 21 21 LYS N N 20 117.696 117.696 118.393 -0.697 18277 1812 1 3 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.242 0.109 18277 1813 1 3 . 1 1 21 21 LYS C C 20 176.229 176.229 176.863 -0.634 18277 1814 1 3 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.065 0.449 18277 1815 1 3 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.482 -0.133 18277 1816 1 3 . 1 1 21 21 LYS H H 20 7.350 7.350 7.994 -0.644 18277 1817 1 3 . 1 1 22 22 TRP N N 21 123.258 123.258 122.437 0.821 18277 1818 1 3 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.799 0.969 18277 1819 1 3 . 1 1 22 22 TRP C C 21 177.333 177.333 176.289 1.044 18277 1820 1 3 . 1 1 22 22 TRP CA C 21 54.466 54.466 56.974 -2.507 18277 1821 1 3 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.637 0.245 18277 1822 1 3 . 1 1 22 22 TRP H H 21 7.710 7.710 7.319 0.391 18277 1823 1 3 . 1 1 23 23 ALA N N 22 133.336 133.336 128.030 5.306 18277 1824 1 3 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.234 -0.088 18277 1825 1 3 . 1 1 23 23 ALA C C 22 177.467 177.467 177.292 0.175 18277 1826 1 3 . 1 1 23 23 ALA CA C 22 54.855 54.855 52.402 2.453 18277 1827 1 3 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.428 -0.464 18277 1828 1 3 . 1 1 23 23 ALA H H 22 9.658 9.658 8.186 1.472 18277 1829 1 3 . 1 1 24 24 LYS N N 23 111.352 111.352 116.750 -5.398 18277 1830 1 3 . 1 1 24 24 LYS HA H 23 4.000 4.000 3.957 0.043 18277 1831 1 3 . 1 1 24 24 LYS C C 23 175.467 175.467 176.009 -0.542 18277 1832 1 3 . 1 1 24 24 LYS CA C 23 56.522 56.522 56.444 0.078 18277 1833 1 3 . 1 1 24 24 LYS CB C 23 33.306 33.306 31.586 1.720 18277 1834 1 3 . 1 1 24 24 LYS H H 23 5.756 5.756 7.498 -1.742 18277 1835 1 3 . 1 1 25 25 VAL N N 24 119.937 119.937 117.862 2.075 18277 1836 1 3 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.491 -0.113 18277 1837 1 3 . 1 1 25 25 VAL C C 24 175.634 175.634 175.299 0.335 18277 1838 1 3 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.719 0.744 18277 1839 1 3 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.121 0.900 18277 1840 1 3 . 1 1 25 25 VAL H H 24 7.179 7.179 7.089 0.090 18277 1841 1 3 . 1 1 26 26 GLU N N 25 127.218 127.218 127.675 -0.457 18277 1842 1 3 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.306 0.102 18277 1843 1 3 . 1 1 26 26 GLU C C 25 176.448 176.448 176.159 0.289 18277 1844 1 3 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.569 0.407 18277 1845 1 3 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.675 -0.270 18277 1846 1 3 . 1 1 26 26 GLU H H 25 9.017 9.017 8.605 0.412 18277 1847 1 3 . 1 1 27 27 ARG N N 26 117.397 117.397 120.045 -2.648 18277 1848 1 3 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.543 -0.016 18277 1849 1 3 . 1 1 27 27 ARG C C 26 173.508 173.508 174.300 -0.792 18277 1850 1 3 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.885 1.331 18277 1851 1 3 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.035 1.928 18277 1852 1 3 . 1 1 27 27 ARG H H 26 7.521 7.521 7.505 0.016 18277 1853 1 3 . 1 1 28 28 ILE N N 27 123.297 123.297 125.014 -1.717 18277 1854 1 3 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.296 0.385 18277 1855 1 3 . 1 1 28 28 ILE C C 27 173.872 173.872 174.512 -0.640 18277 1856 1 3 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.636 0.454 18277 1857 1 3 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.358 2.327 18277 1858 1 3 . 1 1 28 28 ILE H H 27 8.662 8.662 8.558 0.104 18277 1859 1 3 . 1 1 29 29 GLN N N 28 125.810 125.810 127.264 -1.454 18277 1860 1 3 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.679 0.073 18277 1861 1 3 . 1 1 29 29 GLN C C 28 174.329 174.329 174.216 0.113 18277 1862 1 3 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.147 -0.078 18277 1863 1 3 . 1 1 29 29 GLN CB C 28 32.942 32.942 32.686 0.256 18277 1864 1 3 . 1 1 29 29 GLN H H 28 9.282 9.282 8.486 0.796 18277 1865 1 3 . 1 1 30 30 ASP N N 29 125.001 125.001 122.470 2.531 18277 1866 1 3 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.754 0.132 18277 1867 1 3 . 1 1 30 30 ASP C C 29 175.522 175.522 174.921 0.601 18277 1868 1 3 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.725 2.731 18277 1869 1 3 . 1 1 30 30 ASP CB C 29 41.323 41.323 42.411 -1.088 18277 1870 1 3 . 1 1 30 30 ASP H H 29 8.666 8.666 8.381 0.285 18277 1871 1 3 . 1 1 31 31 VAL N N 30 116.978 116.978 112.213 4.765 18277 1872 1 3 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.580 0.064 18277 1873 1 3 . 1 1 31 31 VAL C C 30 175.448 175.448 175.406 0.042 18277 1874 1 3 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.362 -0.184 18277 1875 1 3 . 1 1 31 31 VAL CB C 30 35.124 35.124 35.107 0.017 18277 1876 1 3 . 1 1 31 31 VAL H H 30 7.784 7.784 7.755 0.029 18277 1877 1 3 . 1 1 32 32 GLN N N 31 121.763 121.763 119.584 2.179 18277 1878 1 3 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.492 -0.459 18277 1879 1 3 . 1 1 32 32 GLN C C 31 176.620 176.620 174.659 1.961 18277 1880 1 3 . 1 1 32 32 GLN CA C 31 58.183 58.183 56.783 1.400 18277 1881 1 3 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.681 -0.639 18277 1882 1 3 . 1 1 32 32 GLN H H 31 8.515 8.515 8.640 -0.125 18277 1883 1 3 . 1 1 33 33 ASP N N 32 121.199 121.199 116.047 5.152 18277 1884 1 3 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.780 0.195 18277 1885 1 3 . 1 1 33 33 ASP C C 32 176.998 176.998 175.083 1.915 18277 1886 1 3 . 1 1 33 33 ASP CA C 32 55.528 55.528 53.944 1.585 18277 1887 1 3 . 1 1 33 33 ASP CB C 32 40.659 40.659 40.584 0.075 18277 1888 1 3 . 1 1 33 33 ASP H H 32 9.134 9.134 8.221 0.913 18277 1889 1 3 . 1 1 34 34 GLY N N 33 106.691 106.691 107.561 -0.870 18277 1890 1 3 . 1 1 34 34 GLY C C 33 171.453 171.453 171.975 -0.522 18277 1891 1 3 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.517 1.848 18277 1892 1 3 . 1 1 34 34 GLY H H 33 8.104 8.104 7.732 0.372 18277 1893 1 3 . 1 1 35 35 LEU N N 34 119.801 119.801 121.271 -1.470 18277 1894 1 3 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.664 0.619 18277 1895 1 3 . 1 1 35 35 LEU C C 34 174.568 174.568 173.662 0.906 18277 1896 1 3 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.155 -1.587 18277 1897 1 3 . 1 1 35 35 LEU CB C 34 49.272 49.272 46.822 2.450 18277 1898 1 3 . 1 1 35 35 LEU H H 34 8.491 8.491 7.960 0.531 18277 1899 1 3 . 1 1 36 36 GLN N N 35 121.349 121.349 122.030 -0.681 18277 1900 1 3 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.390 -0.173 18277 1901 1 3 . 1 1 36 36 GLN C C 35 174.530 174.530 173.949 0.581 18277 1902 1 3 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.035 0.729 18277 1903 1 3 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.471 0.009 18277 1904 1 3 . 1 1 36 36 GLN H H 35 8.992 8.992 8.904 0.088 18277 1905 1 3 . 1 1 37 37 LEU N N 36 126.882 126.882 125.911 0.971 18277 1906 1 3 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.069 0.289 18277 1907 1 3 . 1 1 37 37 LEU C C 36 174.519 174.519 175.907 -1.388 18277 1908 1 3 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.398 1.533 18277 1909 1 3 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.933 0.318 18277 1910 1 3 . 1 1 37 37 LEU H H 36 9.826 9.826 8.119 1.707 18277 1911 1 3 . 1 1 38 38 ASP N N 37 122.748 122.748 121.170 1.578 18277 1912 1 3 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.952 0.497 18277 1913 1 3 . 1 1 38 38 ASP C C 37 175.197 175.197 174.954 0.243 18277 1914 1 3 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.293 0.086 18277 1915 1 3 . 1 1 38 38 ASP CB C 37 42.062 42.062 42.520 -0.458 18277 1916 1 3 . 1 1 38 38 ASP H H 37 8.556 8.556 8.174 0.382 18277 1917 1 3 . 1 1 39 39 VAL N N 38 124.835 124.835 124.294 0.541 18277 1918 1 3 . 1 1 39 39 VAL HA H 38 4.141 4.141 4.035 0.106 18277 1919 1 3 . 1 1 39 39 VAL C C 38 174.081 174.081 175.345 -1.264 18277 1920 1 3 . 1 1 39 39 VAL CA C 38 60.442 60.442 60.708 -0.266 18277 1921 1 3 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.273 2.321 18277 1922 1 3 . 1 1 39 39 VAL H H 38 9.495 9.495 8.703 0.792 18277 1923 1 3 . 1 1 40 40 ARG N N 39 131.221 131.221 125.499 5.722 18277 1924 1 3 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.625 -0.109 18277 1925 1 3 . 1 1 40 40 ARG C C 39 174.144 174.144 175.892 -1.748 18277 1926 1 3 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.932 -0.428 18277 1927 1 3 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.880 -0.761 18277 1928 1 3 . 1 1 40 40 ARG H H 39 9.046 9.046 8.249 0.797 18277 1929 1 3 . 1 1 41 41 LEU N N 40 129.501 129.501 123.255 6.246 18277 1930 1 3 . 1 1 41 41 LEU HA H 40 4.026 4.026 3.969 0.057 18277 1931 1 3 . 1 1 41 41 LEU C C 40 176.934 176.934 177.119 -0.185 18277 1932 1 3 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.419 0.445 18277 1933 1 3 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.242 1.506 18277 1934 1 3 . 1 1 41 41 LEU H H 40 7.786 7.786 8.354 -0.568 18277 1935 1 3 . 1 1 42 42 LYS N N 41 112.553 112.553 114.698 -2.145 18277 1936 1 3 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.467 0.227 18277 1937 1 3 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.381 -1.202 18277 1938 1 3 . 1 1 42 42 LYS CB C 41 36.003 36.003 34.928 1.075 18277 1939 1 3 . 1 1 42 42 LYS H H 41 8.313 8.313 7.245 1.068 18277 1940 1 3 . 1 1 43 43 THR HA H 42 3.860 3.860 4.140 -0.280 18277 1941 1 3 . 1 1 43 43 THR C C 42 174.883 174.883 174.285 0.598 18277 1942 1 3 . 1 1 43 43 THR CA C 42 66.494 66.494 65.149 1.345 18277 1943 1 3 . 1 1 43 43 THR CB C 42 68.508 68.508 68.834 -0.326 18277 1944 1 3 . 1 1 44 44 ASP N N 43 114.795 114.795 116.999 -2.204 18277 1945 1 3 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.860 -0.031 18277 1946 1 3 . 1 1 44 44 ASP C C 43 176.791 176.791 174.791 2.000 18277 1947 1 3 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.744 -0.823 18277 1948 1 3 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.805 0.265 18277 1949 1 3 . 1 1 44 44 ASP H H 43 7.759 7.759 8.110 -0.351 18277 1950 1 3 . 1 1 45 45 THR N N 44 115.323 115.323 115.516 -0.193 18277 1951 1 3 . 1 1 45 45 THR HA H 44 5.303 5.303 4.867 0.436 18277 1952 1 3 . 1 1 45 45 THR C C 44 171.480 171.480 173.132 -1.652 18277 1953 1 3 . 1 1 45 45 THR CA C 44 62.732 62.732 61.095 1.637 18277 1954 1 3 . 1 1 45 45 THR CB C 44 72.378 72.378 72.169 0.209 18277 1955 1 3 . 1 1 45 45 THR H H 44 7.551 7.551 7.968 -0.417 18277 1956 1 3 . 1 1 46 46 LEU N N 45 130.323 130.323 125.132 5.191 18277 1957 1 3 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.069 -0.115 18277 1958 1 3 . 1 1 46 46 LEU C C 45 174.048 174.048 173.896 0.152 18277 1959 1 3 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.330 0.027 18277 1960 1 3 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.328 -0.593 18277 1961 1 3 . 1 1 46 46 LEU H H 45 9.590 9.590 8.632 0.958 18277 1962 1 3 . 1 1 47 47 LEU N N 46 127.468 127.468 126.382 1.086 18277 1963 1 3 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.085 0.065 18277 1964 1 3 . 1 1 47 47 LEU C C 46 173.309 173.309 174.730 -1.421 18277 1965 1 3 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.825 -0.238 18277 1966 1 3 . 1 1 47 47 LEU CB C 46 45.122 45.122 44.129 0.993 18277 1967 1 3 . 1 1 47 47 LEU H H 46 9.673 9.673 9.150 0.523 18277 1968 1 3 . 1 1 48 48 GLU N N 47 131.371 131.371 127.277 4.094 18277 1969 1 3 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.751 0.471 18277 1970 1 3 . 1 1 48 48 GLU C C 47 173.970 173.970 174.631 -0.661 18277 1971 1 3 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.021 -1.348 18277 1972 1 3 . 1 1 48 48 GLU CB C 47 31.910 31.910 31.439 0.471 18277 1973 1 3 . 1 1 48 48 GLU H H 47 9.400 9.400 8.431 0.969 18277 1974 1 3 . 1 1 49 49 LEU N N 48 129.742 129.742 126.328 3.414 18277 1975 1 3 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.541 0.446 18277 1976 1 3 . 1 1 49 49 LEU C C 48 174.115 174.115 175.013 -0.898 18277 1977 1 3 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.024 0.649 18277 1978 1 3 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.783 0.855 18277 1979 1 3 . 1 1 49 49 LEU H H 48 9.433 9.433 7.983 1.450 18277 1980 1 3 . 1 1 50 50 HIS N N 49 126.356 126.356 124.445 1.911 18277 1981 1 3 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.337 0.083 18277 1982 1 3 . 1 1 50 50 HIS C C 49 174.293 174.293 174.793 -0.500 18277 1983 1 3 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.507 2.119 18277 1984 1 3 . 1 1 50 50 HIS CB C 49 33.850 33.850 31.051 2.799 18277 1985 1 3 . 1 1 50 50 HIS H H 49 9.575 9.575 9.048 0.527 18277 1986 1 3 . 1 1 51 51 ILE N N 50 123.679 123.679 125.930 -2.251 18277 1987 1 3 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.667 0.579 18277 1988 1 3 . 1 1 51 51 ILE C C 50 175.021 175.021 174.661 0.360 18277 1989 1 3 . 1 1 51 51 ILE CA C 50 60.592 60.592 60.773 -0.181 18277 1990 1 3 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.988 0.783 18277 1991 1 3 . 1 1 51 51 ILE H H 50 8.991 8.991 8.080 0.911 18277 1992 1 3 . 1 1 52 52 TYR N N 51 126.281 126.281 124.694 1.587 18277 1993 1 3 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.407 0.064 18277 1994 1 3 . 1 1 52 52 TYR C C 51 171.145 171.145 173.004 -1.859 18277 1995 1 3 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.811 -0.199 18277 1996 1 3 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.312 0.809 18277 1997 1 3 . 1 1 52 52 TYR H H 51 9.189 9.189 7.924 1.265 18277 1998 1 3 . 1 1 53 53 TYR N N 52 120.025 120.025 119.589 0.436 18277 1999 1 3 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.007 -0.200 18277 2000 1 3 . 1 1 53 53 TYR C C 52 173.874 173.874 174.317 -0.443 18277 2001 1 3 . 1 1 53 53 TYR CA C 52 56.962 56.962 57.302 -0.340 18277 2002 1 3 . 1 1 53 53 TYR CB C 52 39.544 39.544 40.306 -0.762 18277 2003 1 3 . 1 1 53 53 TYR H H 52 7.985 7.985 8.728 -0.743 18277 2004 1 3 . 1 1 54 54 ASP N N 53 127.411 127.411 126.950 0.461 18277 2005 1 3 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.792 -0.099 18277 2006 1 3 . 1 1 54 54 ASP C C 53 175.962 175.962 175.993 -0.031 18277 2007 1 3 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.943 1.034 18277 2008 1 3 . 1 1 54 54 ASP CB C 53 43.028 43.028 40.337 2.691 18277 2009 1 3 . 1 1 54 54 ASP H H 53 7.449 7.449 7.981 -0.532 18277 2010 1 3 . 1 1 55 55 HIS N N 54 124.486 124.486 121.112 3.374 18277 2011 1 3 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.140 -0.161 18277 2012 1 3 . 1 1 55 55 HIS C C 54 175.406 175.406 175.908 -0.502 18277 2013 1 3 . 1 1 55 55 HIS CA C 54 58.617 58.617 58.317 0.300 18277 2014 1 3 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.437 1.980 18277 2015 1 3 . 1 1 55 55 HIS H H 54 8.512 8.512 8.353 0.159 18277 2016 1 3 . 1 1 56 56 VAL N N 55 120.625 120.625 118.442 2.183 18277 2017 1 3 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.729 -0.193 18277 2018 1 3 . 1 1 56 56 VAL C C 55 177.379 177.379 176.900 0.479 18277 2019 1 3 . 1 1 56 56 VAL CA C 55 65.174 65.174 65.515 -0.341 18277 2020 1 3 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.991 -0.717 18277 2021 1 3 . 1 1 56 56 VAL H H 55 8.397 8.397 7.681 0.716 18277 2022 1 3 . 1 1 57 57 TYR N N 56 115.771 115.771 114.751 1.020 18277 2023 1 3 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.586 -0.320 18277 2024 1 3 . 1 1 57 57 TYR C C 56 174.645 174.645 174.985 -0.340 18277 2025 1 3 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.823 0.903 18277 2026 1 3 . 1 1 57 57 TYR CB C 56 39.566 39.566 40.010 -0.444 18277 2027 1 3 . 1 1 57 57 TYR H H 56 7.641 7.641 7.773 -0.132 18277 2028 1 3 . 1 1 58 58 HIS N N 57 116.177 116.177 115.744 0.433 18277 2029 1 3 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.032 -0.285 18277 2030 1 3 . 1 1 58 58 HIS C C 57 172.860 172.860 172.492 0.368 18277 2031 1 3 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.605 -0.957 18277 2032 1 3 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.424 -2.122 18277 2033 1 3 . 1 1 58 58 HIS H H 57 7.764 7.764 8.281 -0.517 18277 2034 1 3 . 1 1 59 59 VAL N N 58 104.729 104.729 111.217 -6.488 18277 2035 1 3 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.288 0.412 18277 2036 1 3 . 1 1 59 59 VAL CA C 58 56.332 56.332 57.992 -1.660 18277 2037 1 3 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.453 0.760 18277 2038 1 3 . 1 1 59 59 VAL H H 58 6.310 6.310 7.288 -0.978 18277 2039 1 3 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.331 0.014 18277 2040 1 3 . 1 1 60 60 PRO C C 59 174.254 174.254 175.561 -1.307 18277 2041 1 3 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.561 0.029 18277 2042 1 3 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.581 -1.805 18277 2043 1 3 . 1 1 61 61 SER N N 60 116.530 116.530 115.373 1.157 18277 2044 1 3 . 1 1 61 61 SER HA H 60 4.899 4.899 4.738 0.161 18277 2045 1 3 . 1 1 61 61 SER CA C 60 57.691 57.691 55.943 1.748 18277 2046 1 3 . 1 1 61 61 SER CB C 60 66.483 66.483 64.846 1.637 18277 2047 1 3 . 1 1 61 61 SER H H 60 8.854 8.854 7.895 0.959 18277 2048 1 3 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.608 1.096 18277 2049 1 3 . 1 1 62 62 ILE C C 61 176.160 176.160 174.117 2.043 18277 2050 1 3 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.292 -1.374 18277 2051 1 3 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.592 0.197 18277 2052 1 3 . 1 1 63 63 LYS N N 62 123.794 123.794 126.519 -2.725 18277 2053 1 3 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.983 0.711 18277 2054 1 3 . 1 1 63 63 LYS C C 62 174.598 174.598 174.599 -0.001 18277 2055 1 3 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.923 -1.415 18277 2056 1 3 . 1 1 63 63 LYS CB C 62 35.703 35.703 34.894 0.809 18277 2057 1 3 . 1 1 63 63 LYS H H 62 9.011 9.011 8.396 0.615 18277 2058 1 3 . 1 1 64 64 PHE N N 63 116.267 116.267 122.551 -6.284 18277 2059 1 3 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.469 0.844 18277 2060 1 3 . 1 1 64 64 PHE C C 63 173.139 173.139 173.689 -0.550 18277 2061 1 3 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.068 1.526 18277 2062 1 3 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.748 0.193 18277 2063 1 3 . 1 1 64 64 PHE H H 63 9.776 9.776 7.956 1.820 18277 2064 1 3 . 1 1 65 65 ARG N N 64 116.428 116.428 118.435 -2.007 18277 2065 1 3 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.772 0.009 18277 2066 1 3 . 1 1 65 65 ARG C C 64 173.867 173.867 174.897 -1.030 18277 2067 1 3 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.778 0.979 18277 2068 1 3 . 1 1 65 65 ARG CB C 64 35.068 35.068 33.082 1.986 18277 2069 1 3 . 1 1 65 65 ARG H H 64 9.257 9.257 8.304 0.953 18277 2070 1 3 . 1 1 66 66 LEU N N 65 121.826 121.826 124.073 -2.247 18277 2071 1 3 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.445 1.004 18277 2072 1 3 . 1 1 66 66 LEU C C 65 174.002 174.002 176.751 -2.749 18277 2073 1 3 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.635 -1.809 18277 2074 1 3 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.919 3.753 18277 2075 1 3 . 1 1 66 66 LEU H H 65 9.041 9.041 8.878 0.163 18277 2076 1 3 . 1 1 67 67 TRP N N 66 120.671 120.671 121.863 -1.192 18277 2077 1 3 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.253 0.070 18277 2078 1 3 . 1 1 67 67 TRP C C 66 175.763 175.763 175.264 0.499 18277 2079 1 3 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.676 -1.594 18277 2080 1 3 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.768 -0.597 18277 2081 1 3 . 1 1 67 67 TRP H H 66 9.366 9.366 8.583 0.783 18277 2082 1 3 . 1 1 68 68 SER N N 67 117.273 117.273 117.424 -0.151 18277 2083 1 3 . 1 1 68 68 SER HA H 67 5.297 5.297 4.957 0.340 18277 2084 1 3 . 1 1 68 68 SER C C 67 174.327 174.327 174.437 -0.110 18277 2085 1 3 . 1 1 68 68 SER CA C 67 56.883 56.883 56.896 -0.013 18277 2086 1 3 . 1 1 68 68 SER CB C 67 65.230 65.230 63.870 1.361 18277 2087 1 3 . 1 1 68 68 SER H H 67 9.750 9.750 9.380 0.370 18277 2088 1 3 . 1 1 69 69 LEU N N 68 126.002 126.002 130.478 -4.476 18277 2089 1 3 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.468 0.290 18277 2090 1 3 . 1 1 69 69 LEU C C 68 176.022 176.022 176.308 -0.286 18277 2091 1 3 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.853 -1.474 18277 2092 1 3 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.526 0.845 18277 2093 1 3 . 1 1 69 69 LEU H H 68 8.119 8.119 8.169 -0.050 18277 2094 1 3 . 1 1 70 70 ASP N N 69 124.828 124.828 124.864 -0.036 18277 2095 1 3 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.941 -0.160 18277 2096 1 3 . 1 1 70 70 ASP C C 69 176.396 176.396 175.686 0.710 18277 2097 1 3 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.986 0.397 18277 2098 1 3 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.865 -0.874 18277 2099 1 3 . 1 1 70 70 ASP H H 69 8.572 8.572 8.098 0.474 18277 2100 1 3 . 1 1 71 71 THR N N 70 114.913 114.913 114.752 0.161 18277 2101 1 3 . 1 1 71 71 THR HA H 70 4.531 4.531 4.499 0.032 18277 2102 1 3 . 1 1 71 71 THR C C 70 174.451 174.451 175.297 -0.846 18277 2103 1 3 . 1 1 71 71 THR CA C 70 61.742 61.742 60.978 0.764 18277 2104 1 3 . 1 1 71 71 THR CB C 70 69.950 69.950 69.219 0.731 18277 2105 1 3 . 1 1 71 71 THR H H 70 8.403 8.403 8.489 -0.086 18277 2106 1 3 . 1 1 72 72 GLU N N 71 123.605 123.605 122.028 1.577 18277 2107 1 3 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.084 0.157 18277 2108 1 3 . 1 1 72 72 GLU C C 71 176.451 176.451 177.126 -0.675 18277 2109 1 3 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.974 -1.768 18277 2110 1 3 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.569 0.841 18277 2111 1 3 . 1 1 72 72 GLU H H 71 8.542 8.542 8.639 -0.097 18277 2112 1 3 . 1 1 73 73 GLU N N 72 119.641 119.641 116.299 3.342 18277 2113 1 3 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.438 -0.327 18277 2114 1 3 . 1 1 73 73 GLU C C 72 175.577 175.577 175.736 -0.159 18277 2115 1 3 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.010 1.087 18277 2116 1 3 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.647 -1.304 18277 2117 1 3 . 1 1 73 73 GLU H H 72 8.503 8.503 8.037 0.466 18277 2118 1 3 . 1 1 74 74 ASP N N 73 117.882 117.882 118.730 -0.848 18277 2119 1 3 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.452 0.119 18277 2120 1 3 . 1 1 74 74 ASP C C 73 176.077 176.077 175.241 0.836 18277 2121 1 3 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.017 -0.523 18277 2122 1 3 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.472 1.466 18277 2123 1 3 . 1 1 74 74 ASP H H 73 8.228 8.228 8.189 0.039 18277 2124 1 3 . 1 1 75 75 ILE N N 74 120.809 120.809 115.181 5.628 18277 2125 1 3 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.373 -0.164 18277 2126 1 3 . 1 1 75 75 ILE C C 74 175.939 175.939 175.912 0.027 18277 2127 1 3 . 1 1 75 75 ILE CA C 74 61.326 61.326 61.046 0.280 18277 2128 1 3 . 1 1 75 75 ILE CB C 74 38.669 38.669 37.783 0.886 18277 2129 1 3 . 1 1 75 75 ILE H H 74 8.089 8.089 7.975 0.114 18277 2130 1 3 . 1 1 76 76 SER N N 75 119.402 119.402 116.177 3.225 18277 2131 1 3 . 1 1 76 76 SER HA H 75 4.652 4.652 4.243 0.409 18277 2132 1 3 . 1 1 76 76 SER C C 75 174.313 174.313 174.010 0.303 18277 2133 1 3 . 1 1 76 76 SER CA C 75 58.778 58.778 58.691 0.087 18277 2134 1 3 . 1 1 76 76 SER CB C 75 63.860 63.860 62.291 1.569 18277 2135 1 3 . 1 1 76 76 SER H H 75 8.449 8.449 8.165 0.284 18277 2136 1 3 . 1 1 77 77 SER N N 76 118.644 118.644 115.121 3.523 18277 2137 1 3 . 1 1 77 77 SER HA H 76 4.588 4.588 4.437 0.151 18277 2138 1 3 . 1 1 77 77 SER C C 76 173.094 173.094 173.413 -0.319 18277 2139 1 3 . 1 1 77 77 SER CA C 76 57.772 57.772 58.743 -0.971 18277 2140 1 3 . 1 1 77 77 SER CB C 76 64.461 64.461 64.198 0.263 18277 2141 1 3 . 1 1 77 77 SER H H 76 8.280 8.280 7.863 0.417 18277 2142 1 3 . 1 1 78 78 LEU N N 77 123.896 123.896 114.742 9.154 18277 2143 1 3 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.030 -0.032 18277 2144 1 3 . 1 1 78 78 LEU C C 77 177.081 177.081 175.103 1.978 18277 2145 1 3 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.438 0.570 18277 2146 1 3 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.160 -1.139 18277 2147 1 3 . 1 1 78 78 LEU H H 77 7.981 7.981 8.198 -0.217 18277 2148 1 3 . 1 1 79 79 ARG N N 78 123.195 123.195 120.987 2.208 18277 2149 1 3 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.781 0.178 18277 2150 1 3 . 1 1 79 79 ARG C C 78 174.994 174.994 174.636 0.358 18277 2151 1 3 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.244 -0.580 18277 2152 1 3 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.027 0.253 18277 2153 1 3 . 1 1 79 79 ARG H H 78 9.013 9.013 8.039 0.974 18277 2154 1 3 . 1 1 80 80 LEU N N 79 128.388 128.388 127.181 1.207 18277 2155 1 3 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.777 0.001 18277 2156 1 3 . 1 1 80 80 LEU C C 79 177.216 177.216 175.388 1.828 18277 2157 1 3 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.415 0.634 18277 2158 1 3 . 1 1 80 80 LEU CB C 79 42.285 42.285 41.483 0.802 18277 2159 1 3 . 1 1 80 80 LEU H H 79 8.807 8.807 8.712 0.095 18277 2160 1 3 . 1 1 81 81 LEU N N 80 127.521 127.521 127.846 -0.325 18277 2161 1 3 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.543 0.020 18277 2162 1 3 . 1 1 81 81 LEU C C 80 176.354 176.354 176.287 0.067 18277 2163 1 3 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.675 -0.514 18277 2164 1 3 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.080 0.330 18277 2165 1 3 . 1 1 81 81 LEU H H 80 8.478 8.478 8.393 0.085 18277 2166 1 3 . 1 1 82 82 THR N N 81 121.108 121.108 115.803 5.305 18277 2167 1 3 . 1 1 82 82 THR HA H 81 4.391 4.391 4.605 -0.214 18277 2168 1 3 . 1 1 82 82 THR C C 81 173.678 173.678 173.900 -0.222 18277 2169 1 3 . 1 1 82 82 THR CA C 81 61.112 61.112 60.957 0.155 18277 2170 1 3 . 1 1 82 82 THR CB C 81 68.941 68.941 68.401 0.540 18277 2171 1 3 . 1 1 82 82 THR H H 81 8.735 8.735 8.256 0.479 18277 2172 1 3 . 1 1 83 83 LEU N N 82 125.276 125.276 124.633 0.643 18277 2173 1 3 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.933 -0.162 18277 2174 1 3 . 1 1 83 83 LEU C C 82 177.192 177.192 176.046 1.146 18277 2175 1 3 . 1 1 83 83 LEU CA C 82 53.414 53.414 52.914 0.500 18277 2176 1 3 . 1 1 83 83 LEU CB C 82 44.525 44.525 43.318 1.207 18277 2177 1 3 . 1 1 83 83 LEU H H 82 7.985 7.985 7.811 0.174 18277 2178 1 3 . 1 1 84 84 SER N N 83 118.590 118.590 116.252 2.338 18277 2179 1 3 . 1 1 84 84 SER HA H 83 4.591 4.591 4.471 0.120 18277 2180 1 3 . 1 1 84 84 SER C C 83 174.317 174.317 175.371 -1.054 18277 2181 1 3 . 1 1 84 84 SER CA C 83 57.202 57.202 58.395 -1.194 18277 2182 1 3 . 1 1 84 84 SER CB C 83 65.345 65.345 63.973 1.372 18277 2183 1 3 . 1 1 84 84 SER H H 83 9.214 9.214 8.556 0.658 18277 2184 1 3 . 1 1 85 85 ASP N N 84 121.149 121.149 121.797 -0.648 18277 2185 1 3 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.544 -0.201 18277 2186 1 3 . 1 1 85 85 ASP C C 84 178.027 178.027 178.244 -0.217 18277 2187 1 3 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.468 1.323 18277 2188 1 3 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.456 1.530 18277 2189 1 3 . 1 1 85 85 ASP H H 84 9.014 9.014 8.826 0.188 18277 2190 1 3 . 1 1 86 86 SER N N 85 111.874 111.874 114.547 -2.673 18277 2191 1 3 . 1 1 86 86 SER HA H 85 4.110 4.110 4.189 -0.079 18277 2192 1 3 . 1 1 86 86 SER C C 85 177.696 177.696 176.025 1.671 18277 2193 1 3 . 1 1 86 86 SER CA C 85 61.560 61.560 61.316 0.244 18277 2194 1 3 . 1 1 86 86 SER CB C 85 62.355 62.355 62.897 -0.542 18277 2195 1 3 . 1 1 86 86 SER H H 85 8.467 8.467 8.532 -0.065 18277 2196 1 3 . 1 1 87 87 GLU N N 86 122.948 122.948 119.287 3.661 18277 2197 1 3 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.261 -0.184 18277 2198 1 3 . 1 1 87 87 GLU C C 86 180.335 180.335 179.146 1.189 18277 2199 1 3 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.100 0.936 18277 2200 1 3 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.787 1.032 18277 2201 1 3 . 1 1 87 87 GLU H H 86 7.660 7.660 7.769 -0.109 18277 2202 1 3 . 1 1 88 88 LEU N N 87 122.341 122.341 122.090 0.251 18277 2203 1 3 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.056 -0.173 18277 2204 1 3 . 1 1 88 88 LEU C C 87 178.818 178.818 178.197 0.621 18277 2205 1 3 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.606 0.468 18277 2206 1 3 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.270 1.101 18277 2207 1 3 . 1 1 88 88 LEU H H 87 8.878 8.878 8.255 0.623 18277 2208 1 3 . 1 1 89 89 ARG N N 88 115.874 115.874 118.260 -2.386 18277 2209 1 3 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.241 -0.115 18277 2210 1 3 . 1 1 89 89 ARG C C 88 176.552 176.552 177.799 -1.247 18277 2211 1 3 . 1 1 89 89 ARG CA C 88 58.720 58.720 57.496 1.224 18277 2212 1 3 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.862 -0.077 18277 2213 1 3 . 1 1 89 89 ARG H H 88 7.956 7.956 8.532 -0.576 18277 2214 1 3 . 1 1 90 90 SER N N 89 112.295 112.295 113.609 -1.314 18277 2215 1 3 . 1 1 90 90 SER HA H 89 4.565 4.565 4.245 0.320 18277 2216 1 3 . 1 1 90 90 SER C C 89 174.817 174.817 175.368 -0.551 18277 2217 1 3 . 1 1 90 90 SER CA C 89 60.043 60.043 60.462 -0.419 18277 2218 1 3 . 1 1 90 90 SER CB C 89 63.858 63.858 63.215 0.643 18277 2219 1 3 . 1 1 90 90 SER H H 89 7.481 7.481 8.052 -0.571 18277 2220 1 3 . 1 1 91 91 ILE N N 90 116.577 116.577 112.293 4.284 18277 2221 1 3 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.300 0.138 18277 2222 1 3 . 1 1 91 91 ILE C C 90 174.636 174.636 175.518 -0.882 18277 2223 1 3 . 1 1 91 91 ILE CA C 90 62.262 62.262 60.906 1.356 18277 2224 1 3 . 1 1 91 91 ILE CB C 90 40.609 40.609 39.128 1.481 18277 2225 1 3 . 1 1 91 91 ILE H H 90 7.372 7.372 7.093 0.279 18277 2226 1 3 . 1 1 92 92 LEU N N 91 119.723 119.723 119.109 0.614 18277 2227 1 3 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.404 0.237 18277 2228 1 3 . 1 1 92 92 LEU C C 91 175.178 175.178 176.198 -1.020 18277 2229 1 3 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.210 -1.397 18277 2230 1 3 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.752 0.921 18277 2231 1 3 . 1 1 92 92 LEU H H 91 7.900 7.900 7.593 0.307 18277 2232 1 3 . 1 1 93 93 ASN N N 92 119.687 119.687 118.281 1.406 18277 2233 1 3 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.827 0.156 18277 2234 1 3 . 1 1 93 93 ASN C C 92 174.978 174.978 174.479 0.499 18277 2235 1 3 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.240 -0.869 18277 2236 1 3 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.978 -2.247 18277 2237 1 3 . 1 1 93 93 ASN H H 92 8.916 8.916 8.319 0.597 18277 2238 1 3 . 1 1 94 94 LEU N N 93 121.052 121.052 124.404 -3.352 18277 2239 1 3 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.360 -0.414 18277 2240 1 3 . 1 1 94 94 LEU C C 93 177.367 177.367 178.331 -0.964 18277 2241 1 3 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.062 0.989 18277 2242 1 3 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.028 0.744 18277 2243 1 3 . 1 1 94 94 LEU H H 93 8.172 8.172 8.666 -0.494 18277 2244 1 3 . 1 1 95 95 GLY N N 94 105.340 105.340 106.979 -1.639 18277 2245 1 3 . 1 1 95 95 GLY C C 94 176.133 176.133 176.030 0.103 18277 2246 1 3 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.263 0.086 18277 2247 1 3 . 1 1 95 95 GLY H H 94 8.281 8.281 8.060 0.221 18277 2248 1 3 . 1 1 96 96 THR N N 95 117.040 117.040 117.972 -0.932 18277 2249 1 3 . 1 1 96 96 THR HA H 95 4.242 4.242 4.435 -0.193 18277 2250 1 3 . 1 1 96 96 THR C C 95 175.349 175.349 174.792 0.557 18277 2251 1 3 . 1 1 96 96 THR CA C 95 61.859 61.859 61.729 0.130 18277 2252 1 3 . 1 1 96 96 THR CB C 95 68.399 68.399 70.000 -1.601 18277 2253 1 3 . 1 1 96 96 THR H H 95 8.419 8.419 8.247 0.172 18277 2254 1 3 . 1 1 97 97 PHE N N 96 122.590 122.590 120.081 2.509 18277 2255 1 3 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.366 0.356 18277 2256 1 3 . 1 1 97 97 PHE C C 96 174.704 174.704 175.636 -0.932 18277 2257 1 3 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.127 -0.528 18277 2258 1 3 . 1 1 97 97 PHE CB C 96 39.149 39.149 39.929 -0.780 18277 2259 1 3 . 1 1 97 97 PHE H H 96 8.517 8.517 8.317 0.200 18277 2260 1 3 . 1 1 98 98 SER N N 97 114.201 114.201 114.183 0.018 18277 2261 1 3 . 1 1 98 98 SER HA H 97 4.859 4.859 4.860 -0.001 18277 2262 1 3 . 1 1 98 98 SER C C 97 173.002 173.002 172.381 0.621 18277 2263 1 3 . 1 1 98 98 SER CA C 97 57.346 57.346 57.706 -0.360 18277 2264 1 3 . 1 1 98 98 SER CB C 97 65.739 65.739 65.719 0.020 18277 2265 1 3 . 1 1 98 98 SER H H 97 9.129 9.129 8.661 0.468 18277 2266 1 3 . 1 1 99 99 VAL N N 98 120.191 120.191 119.441 0.750 18277 2267 1 3 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.518 1.001 18277 2268 1 3 . 1 1 99 99 VAL C C 98 175.574 175.574 174.539 1.035 18277 2269 1 3 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.381 -0.991 18277 2270 1 3 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.878 -0.452 18277 2271 1 3 . 1 1 99 99 VAL H H 98 8.655 8.655 8.431 0.224 18277 2272 1 3 . 1 1 100 100 THR N N 99 120.623 120.623 120.222 0.401 18277 2273 1 3 . 1 1 100 100 THR HA H 99 4.729 4.729 4.667 0.062 18277 2274 1 3 . 1 1 100 100 THR C C 99 172.605 172.605 172.442 0.163 18277 2275 1 3 . 1 1 100 100 THR CA C 99 61.114 61.114 61.627 -0.513 18277 2276 1 3 . 1 1 100 100 THR CB C 99 71.850 71.850 70.698 1.153 18277 2277 1 3 . 1 1 100 100 THR H H 99 8.997 8.997 8.642 0.355 18277 2278 1 3 . 1 1 101 101 LEU N N 100 127.613 127.613 129.366 -1.753 18277 2279 1 3 . 1 1 101 101 LEU HA H 100 4.949 4.949 4.720 0.229 18277 2280 1 3 . 1 1 101 101 LEU C C 100 176.666 176.666 175.806 0.860 18277 2281 1 3 . 1 1 101 101 LEU CA C 100 54.689 54.689 54.081 0.608 18277 2282 1 3 . 1 1 101 101 LEU CB C 100 43.166 43.166 42.994 0.172 18277 2283 1 3 . 1 1 101 101 LEU H H 100 8.766 8.766 8.583 0.183 18277 2284 1 3 . 1 1 102 102 SER N N 101 119.771 119.771 122.373 -2.602 18277 2285 1 3 . 1 1 102 102 SER HA H 101 4.749 4.749 4.831 -0.082 18277 2286 1 3 . 1 1 102 102 SER C C 101 173.477 173.477 172.882 0.595 18277 2287 1 3 . 1 1 102 102 SER CA C 101 57.514 57.514 56.841 0.673 18277 2288 1 3 . 1 1 102 102 SER CB C 101 65.024 65.024 64.975 0.049 18277 2289 1 3 . 1 1 102 102 SER H H 101 8.926 8.926 8.342 0.584 18277 2290 1 3 . 1 1 103 103 THR N N 102 117.853 117.853 120.117 -2.264 18277 2291 1 3 . 1 1 103 103 THR HA H 102 4.618 4.618 4.940 -0.322 18277 2292 1 3 . 1 1 103 103 THR C C 102 174.020 174.020 173.250 0.770 18277 2293 1 3 . 1 1 103 103 THR CA C 102 61.991 61.991 61.385 0.606 18277 2294 1 3 . 1 1 103 103 THR CB C 102 69.972 69.972 72.186 -2.213 18277 2295 1 3 . 1 1 103 103 THR H H 102 8.409 8.409 8.489 -0.080 18277 2296 1 3 . 1 1 104 104 ASP N N 103 125.295 125.295 123.561 1.734 18277 2297 1 3 . 1 1 104 104 ASP HA H 103 4.708 4.708 5.008 -0.300 18277 2298 1 3 . 1 1 104 104 ASP C C 103 176.908 176.908 178.495 -1.587 18277 2299 1 3 . 1 1 104 104 ASP CA C 103 53.559 53.559 52.503 1.056 18277 2300 1 3 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.882 -0.637 18277 2301 1 3 . 1 1 104 104 ASP H H 103 8.598 8.598 8.202 0.396 18277 2302 1 3 . 1 1 105 105 MET N N 104 122.470 122.470 120.091 2.379 18277 2303 1 3 . 1 1 105 105 MET HA H 104 4.270 4.270 4.217 0.053 18277 2304 1 3 . 1 1 105 105 MET C C 104 177.354 177.354 177.051 0.303 18277 2305 1 3 . 1 1 105 105 MET CA C 104 57.300 57.300 58.328 -1.028 18277 2306 1 3 . 1 1 105 105 MET CB C 104 32.108 32.108 32.157 -0.049 18277 2307 1 3 . 1 1 105 105 MET H H 104 8.719 8.719 8.584 0.135 18277 2308 1 3 . 1 1 106 106 GLU N N 105 118.752 118.752 120.068 -1.316 18277 2309 1 3 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.145 0.091 18277 2310 1 3 . 1 1 106 106 GLU C C 105 177.172 177.172 176.989 0.183 18277 2311 1 3 . 1 1 106 106 GLU CA C 105 57.729 57.729 57.702 0.027 18277 2312 1 3 . 1 1 106 106 GLU CB C 105 29.776 29.776 30.024 -0.248 18277 2313 1 3 . 1 1 106 106 GLU H H 105 8.306 8.306 8.033 0.273 18277 2314 1 3 . 1 1 107 107 MET N N 106 116.736 116.736 115.071 1.665 18277 2315 1 3 . 1 1 107 107 MET HA H 106 4.329 4.329 4.087 0.242 18277 2316 1 3 . 1 1 107 107 MET C C 106 176.319 176.319 175.703 0.616 18277 2317 1 3 . 1 1 107 107 MET CA C 106 55.514 55.514 56.321 -0.807 18277 2318 1 3 . 1 1 107 107 MET CB C 106 31.566 31.566 31.715 -0.149 18277 2319 1 3 . 1 1 107 107 MET H H 106 8.206 8.206 8.003 0.203 18277 2320 1 3 . 1 1 108 108 LYS N N 107 117.661 117.661 117.646 0.015 18277 2321 1 3 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.315 -0.229 18277 2322 1 3 . 1 1 108 108 LYS C C 107 176.049 176.049 176.360 -0.311 18277 2323 1 3 . 1 1 108 108 LYS CA C 107 57.100 57.100 57.075 0.024 18277 2324 1 3 . 1 1 108 108 LYS CB C 107 30.890 30.890 33.228 -2.338 18277 2325 1 3 . 1 1 108 108 LYS H H 107 8.382 8.382 7.864 0.518 18277 2326 1 3 . 1 1 109 109 SER N N 108 113.019 113.019 116.644 -3.625 18277 2327 1 3 . 1 1 109 109 SER HA H 108 4.566 4.566 4.524 0.042 18277 2328 1 3 . 1 1 109 109 SER C C 108 172.969 172.969 172.226 0.743 18277 2329 1 3 . 1 1 109 109 SER CA C 108 56.997 56.997 57.894 -0.896 18277 2330 1 3 . 1 1 109 109 SER CB C 108 65.035 65.035 64.330 0.705 18277 2331 1 3 . 1 1 109 109 SER H H 108 7.892 7.892 7.788 0.104 18277 2332 1 3 . 1 1 110 110 VAL N N 109 121.915 121.915 121.891 0.024 18277 2333 1 3 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.583 -0.181 18277 2334 1 3 . 1 1 110 110 VAL C C 109 174.706 174.706 173.548 1.158 18277 2335 1 3 . 1 1 110 110 VAL CA C 109 61.974 61.974 59.948 2.026 18277 2336 1 3 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.992 -2.912 18277 2337 1 3 . 1 1 110 110 VAL H H 109 7.878 7.878 7.838 0.040 18277 2338 1 3 . 1 1 111 111 TYR N N 110 122.247 122.247 116.758 5.489 18277 2339 1 3 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.858 -0.522 18277 2340 1 3 . 1 1 111 111 TYR C C 110 173.915 173.915 174.131 -0.216 18277 2341 1 3 . 1 1 111 111 TYR CA C 110 57.263 57.263 56.127 1.136 18277 2342 1 3 . 1 1 111 111 TYR CB C 110 43.222 43.222 41.268 1.954 18277 2343 1 3 . 1 1 111 111 TYR H H 110 8.317 8.317 8.213 0.104 18277 2344 1 3 . 1 1 112 112 TYR N N 111 117.096 117.096 117.162 -0.066 18277 2345 1 3 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.739 0.130 18277 2346 1 3 . 1 1 112 112 TYR C C 111 175.418 175.418 174.797 0.621 18277 2347 1 3 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.948 0.235 18277 2348 1 3 . 1 1 112 112 TYR CB C 111 38.681 38.681 38.218 0.463 18277 2349 1 3 . 1 1 112 112 TYR H H 111 8.690 8.690 8.449 0.241 18277 2350 1 3 . 1 1 113 113 TYR N N 112 120.208 120.208 123.087 -2.879 18277 2351 1 3 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.955 -0.016 18277 2352 1 3 . 1 1 113 113 TYR C C 112 176.674 176.674 176.685 -0.011 18277 2353 1 3 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.864 -1.297 18277 2354 1 3 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.400 2.524 18277 2355 1 3 . 1 1 113 113 TYR H H 112 9.374 9.374 9.250 0.124 18277 2356 1 3 . 1 1 114 114 ILE N N 113 121.490 121.490 125.604 -4.114 18277 2357 1 3 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.121 0.700 18277 2358 1 3 . 1 1 114 114 ILE C C 113 176.329 176.329 176.316 0.013 18277 2359 1 3 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.345 -2.306 18277 2360 1 3 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.658 -1.693 18277 2361 1 3 . 1 1 114 114 ILE H H 113 8.076 8.076 8.301 -0.225 18277 2362 1 3 . 1 1 115 115 ASN N N 114 129.212 129.212 125.252 3.960 18277 2363 1 3 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.619 0.082 18277 2364 1 3 . 1 1 115 115 ASN C C 114 175.914 175.914 174.517 1.397 18277 2365 1 3 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.329 0.693 18277 2366 1 3 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.838 -0.289 18277 2367 1 3 . 1 1 115 115 ASN H H 114 8.959 8.959 8.491 0.468 18277 2368 1 3 . 1 1 116 116 ASN N N 115 121.613 121.613 122.228 -0.615 18277 2369 1 3 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.303 -0.434 18277 2370 1 3 . 1 1 116 116 ASN C C 115 178.040 178.040 175.640 2.400 18277 2371 1 3 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.461 0.319 18277 2372 1 3 . 1 1 116 116 ASN CB C 115 39.096 39.096 39.293 -0.197 18277 2373 1 3 . 1 1 116 116 ASN H H 115 8.464 8.464 8.508 -0.044 18277 2374 1 3 . 1 1 117 117 CYS N N 116 120.777 120.777 116.382 4.395 18277 2375 1 3 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.536 0.208 18277 2376 1 3 . 1 1 117 117 CYS C C 116 174.635 174.635 174.788 -0.153 18277 2377 1 3 . 1 1 117 117 CYS CA C 116 60.087 60.087 59.081 1.006 18277 2378 1 3 . 1 1 117 117 CYS CB C 116 27.456 27.456 28.090 -0.634 18277 2379 1 3 . 1 1 117 117 CYS H H 116 8.256 8.256 7.782 0.474 18277 2380 1 3 . 1 1 118 118 ASP N N 117 119.926 119.926 121.434 -1.508 18277 2381 1 3 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.815 0.084 18277 2382 1 3 . 1 1 118 118 ASP C C 117 176.225 176.225 175.821 0.404 18277 2383 1 3 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.827 -0.417 18277 2384 1 3 . 1 1 118 118 ASP CB C 117 40.174 40.174 39.590 0.584 18277 2385 1 3 . 1 1 118 118 ASP H H 117 8.420 8.420 8.079 0.341 18277 2386 1 3 . 1 1 119 119 THR N N 118 116.185 116.185 115.212 0.973 18277 2387 1 3 . 1 1 119 119 THR HA H 118 4.315 4.315 4.187 0.128 18277 2388 1 3 . 1 1 119 119 THR C C 118 175.349 175.349 175.924 -0.575 18277 2389 1 3 . 1 1 119 119 THR CA C 118 66.029 66.029 67.884 -1.855 18277 2390 1 3 . 1 1 119 119 THR CB C 118 69.654 69.654 69.339 0.315 18277 2391 1 3 . 1 1 119 119 THR H H 118 7.712 7.712 7.614 0.098 18277 2392 1 3 . 1 1 120 120 ASP N N 119 120.938 120.938 121.100 -0.162 18277 2393 1 3 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.630 -0.097 18277 2394 1 3 . 1 1 120 120 ASP C C 119 177.991 177.991 177.059 0.932 18277 2395 1 3 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.300 -0.394 18277 2396 1 3 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.642 0.295 18277 2397 1 3 . 1 1 120 120 ASP H H 119 8.730 8.730 8.886 -0.156 18277 2398 1 3 . 1 1 121 121 ALA N N 120 122.818 122.818 119.321 3.497 18277 2399 1 3 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.271 -0.093 18277 2400 1 3 . 1 1 121 121 ALA C C 120 178.787 178.787 178.287 0.500 18277 2401 1 3 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.592 0.299 18277 2402 1 3 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.651 -0.180 18277 2403 1 3 . 1 1 121 121 ALA H H 120 8.033 8.033 8.323 -0.290 18277 2404 1 3 . 1 1 122 122 ASN N N 121 116.085 116.085 117.241 -1.156 18277 2405 1 3 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.615 0.019 18277 2406 1 3 . 1 1 122 122 ASN C C 121 176.235 176.235 176.782 -0.547 18277 2407 1 3 . 1 1 122 122 ASN CA C 121 54.496 54.496 55.152 -0.656 18277 2408 1 3 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.618 -0.729 18277 2409 1 3 . 1 1 122 122 ASN H H 121 8.128 8.128 7.818 0.310 18277 2410 1 3 . 1 1 123 123 VAL N N 122 117.803 117.803 117.836 -0.033 18277 2411 1 3 . 1 1 123 123 VAL HA H 122 3.962 3.962 4.189 -0.227 18277 2412 1 3 . 1 1 123 123 VAL C C 122 176.973 176.973 176.041 0.932 18277 2413 1 3 . 1 1 123 123 VAL CA C 122 63.916 63.916 62.928 0.988 18277 2414 1 3 . 1 1 123 123 VAL CB C 122 32.895 32.895 33.244 -0.349 18277 2415 1 3 . 1 1 123 123 VAL H H 122 8.262 8.262 8.198 0.064 18277 2416 1 3 . 1 1 124 124 GLY N N 123 110.472 110.472 109.027 1.445 18277 2417 1 3 . 1 1 124 124 GLY C C 123 174.107 174.107 175.103 -0.996 18277 2418 1 3 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.715 -1.314 18277 2419 1 3 . 1 1 124 124 GLY H H 123 8.172 8.172 8.106 0.066 18277 2420 1 3 . 1 1 125 125 SER N N 124 113.065 113.065 114.503 -1.438 18277 2421 1 3 . 1 1 125 125 SER HA H 124 4.529 4.529 4.419 0.110 18277 2422 1 3 . 1 1 125 125 SER C C 124 174.664 174.664 174.056 0.608 18277 2423 1 3 . 1 1 125 125 SER CA C 124 58.981 58.981 59.659 -0.678 18277 2424 1 3 . 1 1 125 125 SER CB C 124 64.492 64.492 64.451 0.041 18277 2425 1 3 . 1 1 125 125 SER H H 124 8.139 8.139 8.291 -0.152 18277 2426 1 3 . 1 1 126 126 ASP N N 125 121.312 121.312 119.627 1.685 18277 2427 1 3 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.889 -0.182 18277 2428 1 3 . 1 1 126 126 ASP C C 125 177.029 177.029 175.507 1.522 18277 2429 1 3 . 1 1 126 126 ASP CA C 125 54.232 54.232 53.510 0.722 18277 2430 1 3 . 1 1 126 126 ASP CB C 125 40.878 40.878 44.063 -3.185 18277 2431 1 3 . 1 1 126 126 ASP H H 125 8.146 8.146 8.109 0.037 18277 2432 1 3 . 1 1 127 127 VAL N N 126 123.444 123.444 121.496 1.948 18277 2433 1 3 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.811 0.015 18277 2434 1 3 . 1 1 127 127 VAL C C 126 177.304 177.304 177.406 -0.102 18277 2435 1 3 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.411 1.488 18277 2436 1 3 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.767 0.455 18277 2437 1 3 . 1 1 127 127 VAL H H 126 8.474 8.474 8.483 -0.009 18277 2438 1 3 . 1 1 128 128 GLU N N 127 120.874 120.874 119.683 1.191 18277 2439 1 3 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.117 -0.184 18277 2440 1 3 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.881 -0.221 18277 2441 1 3 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.221 -0.141 18277 2442 1 3 . 1 1 128 128 GLU H H 127 8.504 8.504 8.584 -0.080 18277 2443 1 3 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.879 -0.130 18277 2444 1 3 . 1 1 129 129 HIS C C 128 174.898 174.898 174.740 0.158 18277 2445 1 3 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.154 2.294 18277 2446 1 3 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.603 0.442 18277 2447 1 3 . 1 1 130 130 TYR N N 129 122.615 122.615 122.638 -0.023 18277 2448 1 3 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.451 -0.451 18277 2449 1 3 . 1 1 130 130 TYR C C 129 178.544 178.544 177.004 1.540 18277 2450 1 3 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.839 0.269 18277 2451 1 3 . 1 1 130 130 TYR CB C 129 39.542 39.542 39.092 0.450 18277 2452 1 3 . 1 1 130 130 TYR H H 129 8.118 8.118 7.907 0.211 18277 2453 1 3 . 1 1 131 131 LEU N N 130 116.037 116.037 118.640 -2.603 18277 2454 1 3 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.234 0.115 18277 2455 1 3 . 1 1 131 131 LEU C C 130 179.368 179.368 179.345 0.023 18277 2456 1 3 . 1 1 131 131 LEU CA C 130 58.816 58.816 58.032 0.784 18277 2457 1 3 . 1 1 131 131 LEU CB C 130 41.369 41.369 41.000 0.369 18277 2458 1 3 . 1 1 131 131 LEU H H 130 9.092 9.092 8.547 0.545 18277 2459 1 3 . 1 1 132 132 THR N N 131 113.629 113.629 109.356 4.273 18277 2460 1 3 . 1 1 132 132 THR HA H 131 4.007 4.007 4.180 -0.173 18277 2461 1 3 . 1 1 132 132 THR C C 131 177.255 177.255 176.257 0.998 18277 2462 1 3 . 1 1 132 132 THR CA C 131 66.505 66.505 65.232 1.273 18277 2463 1 3 . 1 1 132 132 THR CB C 131 68.052 68.052 69.011 -0.959 18277 2464 1 3 . 1 1 132 132 THR H H 131 8.129 8.129 7.881 0.248 18277 2465 1 3 . 1 1 133 133 ARG N N 132 124.720 124.720 121.920 2.800 18277 2466 1 3 . 1 1 133 133 ARG HA H 132 4.116 4.116 3.994 0.122 18277 2467 1 3 . 1 1 133 133 ARG C C 132 178.921 178.921 177.255 1.666 18277 2468 1 3 . 1 1 133 133 ARG CA C 132 60.037 60.037 59.075 0.962 18277 2469 1 3 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.140 0.134 18277 2470 1 3 . 1 1 133 133 ARG H H 132 8.187 8.187 8.195 -0.008 18277 2471 1 3 . 1 1 134 134 TRP N N 133 120.307 120.307 118.874 1.433 18277 2472 1 3 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.478 -0.251 18277 2473 1 3 . 1 1 134 134 TRP C C 133 177.823 177.823 177.302 0.521 18277 2474 1 3 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.675 2.795 18277 2475 1 3 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.128 -1.373 18277 2476 1 3 . 1 1 134 134 TRP H H 133 9.167 9.167 8.121 1.046 18277 2477 1 3 . 1 1 135 135 ILE N N 134 117.595 117.595 121.027 -3.432 18277 2478 1 3 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.157 0.426 18277 2479 1 3 . 1 1 135 135 ILE C C 134 176.333 176.333 177.561 -1.228 18277 2480 1 3 . 1 1 135 135 ILE CA C 134 60.708 60.708 64.360 -3.652 18277 2481 1 3 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.311 -1.178 18277 2482 1 3 . 1 1 135 135 ILE H H 134 9.000 9.000 7.983 1.017 18277 2483 1 3 . 1 1 136 136 SER N N 135 116.548 116.548 113.697 2.851 18277 2484 1 3 . 1 1 136 136 SER HA H 135 3.931 3.931 3.893 0.038 18277 2485 1 3 . 1 1 136 136 SER C C 135 174.339 174.339 176.084 -1.745 18277 2486 1 3 . 1 1 136 136 SER CA C 135 62.535 62.535 60.760 1.776 18277 2487 1 3 . 1 1 136 136 SER CB C 135 62.820 62.820 62.928 -0.108 18277 2488 1 3 . 1 1 136 136 SER H H 135 7.592 7.592 8.233 -0.641 18277 2489 1 3 . 1 1 137 137 LEU N N 136 119.693 119.693 120.317 -0.624 18277 2490 1 3 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.089 0.108 18277 2491 1 3 . 1 1 137 137 LEU C C 136 178.376 178.376 177.921 0.455 18277 2492 1 3 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.958 0.158 18277 2493 1 3 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.586 0.402 18277 2494 1 3 . 1 1 137 137 LEU H H 136 7.247 7.247 7.626 -0.379 18277 2495 1 3 . 1 1 138 138 TYR N N 137 116.295 116.295 116.241 0.054 18277 2496 1 3 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.058 -0.414 18277 2497 1 3 . 1 1 138 138 TYR C C 137 178.142 178.142 176.699 1.443 18277 2498 1 3 . 1 1 138 138 TYR CA C 137 61.396 61.396 60.416 0.980 18277 2499 1 3 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.321 -0.414 18277 2500 1 3 . 1 1 138 138 TYR H H 137 8.057 8.057 7.967 0.090 18277 2501 1 3 . 1 1 139 139 ILE N N 138 117.755 117.755 118.710 -0.955 18277 2502 1 3 . 1 1 139 139 ILE HA H 138 3.818 3.818 4.004 -0.186 18277 2503 1 3 . 1 1 139 139 ILE C C 138 176.943 176.943 176.591 0.352 18277 2504 1 3 . 1 1 139 139 ILE CA C 138 61.684 61.684 60.778 0.906 18277 2505 1 3 . 1 1 139 139 ILE CB C 138 36.768 36.768 38.485 -1.717 18277 2506 1 3 . 1 1 139 139 ILE H H 138 8.371 8.371 8.173 0.198 18277 2507 1 3 . 1 1 140 140 ARG N N 139 118.103 118.103 118.257 -0.154 18277 2508 1 3 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.114 -0.039 18277 2509 1 3 . 1 1 140 140 ARG C C 139 176.776 176.776 176.829 -0.053 18277 2510 1 3 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.637 -1.108 18277 2511 1 3 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.672 0.169 18277 2512 1 3 . 1 1 140 140 ARG H H 139 6.762 6.762 7.782 -1.020 18277 2513 1 3 . 1 1 141 141 ILE N N 140 117.603 117.603 115.897 1.706 18277 2514 1 3 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.698 0.073 18277 2515 1 3 . 1 1 141 141 ILE C C 140 176.448 176.448 176.331 0.117 18277 2516 1 3 . 1 1 141 141 ILE CA C 140 63.370 63.370 63.156 0.214 18277 2517 1 3 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.158 1.661 18277 2518 1 3 . 1 1 141 141 ILE H H 140 7.056 7.056 7.622 -0.566 18277 2519 1 3 . 1 1 142 142 PHE N N 141 114.969 114.969 117.369 -2.400 18277 2520 1 3 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.536 -0.142 18277 2521 1 3 . 1 1 142 142 PHE C C 141 175.503 175.503 174.802 0.701 18277 2522 1 3 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.553 -0.427 18277 2523 1 3 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.788 -1.350 18277 2524 1 3 . 1 1 142 142 PHE H H 141 7.287 7.287 7.821 -0.534 18277 2525 1 3 . 1 1 143 143 ASP N N 142 116.492 116.492 118.315 -1.823 18277 2526 1 3 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.856 -0.111 18277 2527 1 3 . 1 1 143 143 ASP C C 142 175.131 175.131 175.708 -0.577 18277 2528 1 3 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.790 0.223 18277 2529 1 3 . 1 1 143 143 ASP CB C 142 42.996 42.996 41.923 1.073 18277 2530 1 3 . 1 1 143 143 ASP H H 142 7.697 7.697 7.969 -0.272 18277 2531 1 3 . 1 1 144 144 LEU N N 143 126.435 126.435 122.724 3.711 18277 2532 1 3 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.212 -0.026 18277 2533 1 3 . 1 1 144 144 LEU C C 143 177.297 177.297 176.860 0.437 18277 2534 1 3 . 1 1 144 144 LEU CA C 143 56.940 56.940 56.408 0.532 18277 2535 1 3 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.767 0.842 18277 2536 1 3 . 1 1 144 144 LEU H H 143 8.790 8.790 8.673 0.117 18277 2537 1 3 . 1 1 145 145 ASN N N 144 114.711 114.711 116.238 -1.527 18277 2538 1 3 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.721 0.102 18277 2539 1 3 . 1 1 145 145 ASN C C 144 174.879 174.879 174.645 0.234 18277 2540 1 3 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.663 -0.513 18277 2541 1 3 . 1 1 145 145 ASN CB C 144 39.695 39.695 39.888 -0.193 18277 2542 1 3 . 1 1 145 145 ASN H H 144 8.569 8.569 7.934 0.635 18277 2543 1 3 . 1 1 146 146 PHE N N 145 121.472 121.472 122.182 -0.710 18277 2544 1 3 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.639 -0.130 18277 2545 1 3 . 1 1 146 146 PHE C C 145 173.397 173.397 172.955 0.442 18277 2546 1 3 . 1 1 146 146 PHE CA C 145 57.895 57.895 56.809 1.086 18277 2547 1 3 . 1 1 146 146 PHE CB C 145 38.987 38.987 40.334 -1.347 18277 2548 1 3 . 1 1 146 146 PHE H H 145 7.214 7.214 7.382 -0.168 18277 2549 1 3 . 1 1 147 147 VAL N N 146 128.813 128.813 124.115 4.698 18277 2550 1 3 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.224 -0.152 18277 2551 1 3 . 1 1 147 147 VAL CA C 146 58.698 58.698 58.049 0.649 18277 2552 1 3 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.528 1.941 18277 2553 1 3 . 1 1 147 147 VAL H H 146 7.666 7.666 8.024 -0.358 18277 2554 1 4 . 1 1 2 2 MET N N 1 121.461 121.461 118.802 2.659 18277 2555 1 4 . 1 1 2 2 MET HA H 1 4.581 4.581 4.619 -0.038 18277 2556 1 4 . 1 1 2 2 MET C C 1 175.184 175.184 175.840 -0.656 18277 2557 1 4 . 1 1 2 2 MET CA C 1 55.447 55.447 55.464 -0.017 18277 2558 1 4 . 1 1 2 2 MET CB C 1 34.107 34.107 33.781 0.326 18277 2559 1 4 . 1 1 2 2 MET H H 1 8.431 8.431 7.898 0.533 18277 2560 1 4 . 1 1 3 3 LEU N N 2 123.575 123.575 124.995 -1.420 18277 2561 1 4 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.507 -0.037 18277 2562 1 4 . 1 1 3 3 LEU C C 2 176.479 176.479 176.758 -0.279 18277 2563 1 4 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.383 -0.839 18277 2564 1 4 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.072 2.128 18277 2565 1 4 . 1 1 3 3 LEU H H 2 8.678 8.678 7.600 1.078 18277 2566 1 4 . 1 1 4 4 THR N N 3 119.326 119.326 115.173 4.153 18277 2567 1 4 . 1 1 4 4 THR HA H 3 4.398 4.398 4.680 -0.282 18277 2568 1 4 . 1 1 4 4 THR C C 3 173.920 173.920 175.537 -1.617 18277 2569 1 4 . 1 1 4 4 THR CA C 3 61.025 61.025 61.148 -0.123 18277 2570 1 4 . 1 1 4 4 THR CB C 3 71.090 71.090 70.159 0.931 18277 2571 1 4 . 1 1 4 4 THR H H 3 8.541 8.541 8.202 0.339 18277 2572 1 4 . 1 1 5 5 LEU N N 4 122.107 122.107 120.190 1.917 18277 2573 1 4 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.989 -0.701 18277 2574 1 4 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.173 0.919 18277 2575 1 4 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.752 0.054 18277 2576 1 4 . 1 1 5 5 LEU H H 4 8.777 8.777 8.577 0.200 18277 2577 1 4 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.399 -0.053 18277 2578 1 4 . 1 1 6 6 PRO C C 5 179.812 179.812 177.650 2.162 18277 2579 1 4 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.939 1.321 18277 2580 1 4 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.080 -0.021 18277 2581 1 4 . 1 1 7 7 GLU N N 6 117.744 117.744 116.617 1.127 18277 2582 1 4 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.211 -0.185 18277 2583 1 4 . 1 1 7 7 GLU C C 6 178.359 178.359 177.041 1.318 18277 2584 1 4 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.318 0.785 18277 2585 1 4 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.501 -0.231 18277 2586 1 4 . 1 1 7 7 GLU H H 6 7.088 7.088 7.877 -0.789 18277 2587 1 4 . 1 1 8 8 TYR N N 7 120.825 120.825 117.536 3.289 18277 2588 1 4 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.498 -0.603 18277 2589 1 4 . 1 1 8 8 TYR C C 7 176.641 176.641 177.059 -0.418 18277 2590 1 4 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.353 2.166 18277 2591 1 4 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.651 -1.924 18277 2592 1 4 . 1 1 8 8 TYR H H 7 8.310 8.310 7.766 0.544 18277 2593 1 4 . 1 1 9 9 ASN N N 8 118.086 118.086 118.950 -0.864 18277 2594 1 4 . 1 1 9 9 ASN HA H 8 4.318 4.318 3.990 0.328 18277 2595 1 4 . 1 1 9 9 ASN C C 8 179.060 179.060 177.856 1.204 18277 2596 1 4 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.704 0.070 18277 2597 1 4 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.769 0.540 18277 2598 1 4 . 1 1 9 9 ASN H H 8 8.791 8.791 8.704 0.087 18277 2599 1 4 . 1 1 10 10 GLU N N 9 120.057 120.057 119.234 0.823 18277 2600 1 4 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.193 -0.080 18277 2601 1 4 . 1 1 10 10 GLU C C 9 177.853 177.853 177.132 0.721 18277 2602 1 4 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.488 0.018 18277 2603 1 4 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.568 0.073 18277 2604 1 4 . 1 1 10 10 GLU H H 9 8.013 8.013 8.474 -0.461 18277 2605 1 4 . 1 1 11 11 GLN N N 10 116.468 116.468 116.472 -0.004 18277 2606 1 4 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.626 -0.176 18277 2607 1 4 . 1 1 11 11 GLN C C 10 177.470 177.470 176.036 1.434 18277 2608 1 4 . 1 1 11 11 GLN CA C 10 56.997 56.997 54.949 2.048 18277 2609 1 4 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.421 1.304 18277 2610 1 4 . 1 1 11 11 GLN H H 10 7.488 7.488 7.746 -0.258 18277 2611 1 4 . 1 1 12 12 ILE N N 11 124.393 124.393 122.630 1.763 18277 2612 1 4 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.736 0.092 18277 2613 1 4 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.622 -2.116 18277 2614 1 4 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.572 -1.314 18277 2615 1 4 . 1 1 12 12 ILE H H 11 7.605 7.605 7.049 0.556 18277 2616 1 4 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.541 -0.304 18277 2617 1 4 . 1 1 13 13 PRO C C 12 179.113 179.113 177.626 1.487 18277 2618 1 4 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.595 1.832 18277 2619 1 4 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.705 0.372 18277 2620 1 4 . 1 1 14 14 ASN N N 13 115.499 115.499 118.582 -3.083 18277 2621 1 4 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.719 -0.127 18277 2622 1 4 . 1 1 14 14 ASN C C 13 178.208 178.208 177.247 0.961 18277 2623 1 4 . 1 1 14 14 ASN CA C 13 55.791 55.791 55.195 0.596 18277 2624 1 4 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.411 -0.367 18277 2625 1 4 . 1 1 14 14 ASN H H 13 7.793 7.793 7.904 -0.111 18277 2626 1 4 . 1 1 15 15 VAL N N 14 121.205 121.205 121.485 -0.280 18277 2627 1 4 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.801 -0.101 18277 2628 1 4 . 1 1 15 15 VAL C C 14 176.999 176.999 177.830 -0.831 18277 2629 1 4 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.868 -0.324 18277 2630 1 4 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.697 -0.272 18277 2631 1 4 . 1 1 15 15 VAL H H 14 7.704 7.704 7.670 0.034 18277 2632 1 4 . 1 1 16 16 ARG N N 15 121.067 121.067 118.942 2.125 18277 2633 1 4 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.092 -0.378 18277 2634 1 4 . 1 1 16 16 ARG C C 15 178.150 178.150 178.187 -0.037 18277 2635 1 4 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.717 0.803 18277 2636 1 4 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.428 0.787 18277 2637 1 4 . 1 1 16 16 ARG H H 15 8.855 8.855 7.856 0.999 18277 2638 1 4 . 1 1 17 17 SER N N 16 112.741 112.741 115.425 -2.684 18277 2639 1 4 . 1 1 17 17 SER HA H 16 4.245 4.245 4.222 0.023 18277 2640 1 4 . 1 1 17 17 SER C C 16 177.177 177.177 176.109 1.068 18277 2641 1 4 . 1 1 17 17 SER CA C 16 61.756 61.756 61.679 0.077 18277 2642 1 4 . 1 1 17 17 SER CB C 16 62.785 62.785 63.001 -0.216 18277 2643 1 4 . 1 1 17 17 SER H H 16 7.987 7.987 7.844 0.143 18277 2644 1 4 . 1 1 18 18 LEU N N 17 122.703 122.703 118.124 4.579 18277 2645 1 4 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.509 -0.252 18277 2646 1 4 . 1 1 18 18 LEU C C 17 179.350 179.350 179.214 0.136 18277 2647 1 4 . 1 1 18 18 LEU CA C 17 58.484 58.484 56.977 1.507 18277 2648 1 4 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.020 1.455 18277 2649 1 4 . 1 1 18 18 LEU H H 17 7.728 7.728 7.452 0.276 18277 2650 1 4 . 1 1 19 19 LEU N N 18 116.536 116.536 122.608 -6.072 18277 2651 1 4 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.303 -0.072 18277 2652 1 4 . 1 1 19 19 LEU C C 18 178.556 178.556 178.711 -0.155 18277 2653 1 4 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.682 -0.407 18277 2654 1 4 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.026 0.690 18277 2655 1 4 . 1 1 19 19 LEU H H 18 8.367 8.367 8.865 -0.498 18277 2656 1 4 . 1 1 20 20 THR N N 19 111.172 111.172 111.993 -0.821 18277 2657 1 4 . 1 1 20 20 THR HA H 19 4.072 4.072 4.016 0.056 18277 2658 1 4 . 1 1 20 20 THR C C 19 175.433 175.433 175.897 -0.464 18277 2659 1 4 . 1 1 20 20 THR CA C 19 65.421 65.421 65.079 0.342 18277 2660 1 4 . 1 1 20 20 THR CB C 19 69.541 69.541 67.962 1.579 18277 2661 1 4 . 1 1 20 20 THR H H 19 7.926 7.926 8.156 -0.230 18277 2662 1 4 . 1 1 21 21 LYS N N 20 117.696 117.696 118.298 -0.602 18277 2663 1 4 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.182 0.169 18277 2664 1 4 . 1 1 21 21 LYS C C 20 176.229 176.229 177.070 -0.841 18277 2665 1 4 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.041 0.473 18277 2666 1 4 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.242 0.106 18277 2667 1 4 . 1 1 21 21 LYS H H 20 7.350 7.350 7.924 -0.574 18277 2668 1 4 . 1 1 22 22 TRP N N 21 123.258 123.258 121.899 1.359 18277 2669 1 4 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.798 0.970 18277 2670 1 4 . 1 1 22 22 TRP C C 21 177.333 177.333 176.563 0.770 18277 2671 1 4 . 1 1 22 22 TRP CA C 21 54.466 54.466 58.215 -3.749 18277 2672 1 4 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.563 0.319 18277 2673 1 4 . 1 1 22 22 TRP H H 21 7.710 7.710 7.472 0.238 18277 2674 1 4 . 1 1 23 23 ALA N N 22 133.336 133.336 127.810 5.526 18277 2675 1 4 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.257 -0.111 18277 2676 1 4 . 1 1 23 23 ALA C C 22 177.467 177.467 177.425 0.042 18277 2677 1 4 . 1 1 23 23 ALA CA C 22 54.855 54.855 52.315 2.540 18277 2678 1 4 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.411 -0.447 18277 2679 1 4 . 1 1 23 23 ALA H H 22 9.658 9.658 8.675 0.983 18277 2680 1 4 . 1 1 24 24 LYS N N 23 111.352 111.352 117.166 -5.814 18277 2681 1 4 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.004 -0.004 18277 2682 1 4 . 1 1 24 24 LYS C C 23 175.467 175.467 175.439 0.028 18277 2683 1 4 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.425 -0.903 18277 2684 1 4 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.202 1.104 18277 2685 1 4 . 1 1 24 24 LYS H H 23 5.756 5.756 7.731 -1.975 18277 2686 1 4 . 1 1 25 25 VAL N N 24 119.937 119.937 117.441 2.496 18277 2687 1 4 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.836 -0.458 18277 2688 1 4 . 1 1 25 25 VAL C C 24 175.634 175.634 175.705 -0.071 18277 2689 1 4 . 1 1 25 25 VAL CA C 24 64.463 64.463 61.967 2.496 18277 2690 1 4 . 1 1 25 25 VAL CB C 24 32.021 32.021 30.428 1.593 18277 2691 1 4 . 1 1 25 25 VAL H H 24 7.179 7.179 7.108 0.071 18277 2692 1 4 . 1 1 26 26 GLU N N 25 127.218 127.218 127.959 -0.741 18277 2693 1 4 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.309 0.099 18277 2694 1 4 . 1 1 26 26 GLU C C 25 176.448 176.448 176.068 0.380 18277 2695 1 4 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.409 0.567 18277 2696 1 4 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.550 -0.144 18277 2697 1 4 . 1 1 26 26 GLU H H 25 9.017 9.017 8.559 0.458 18277 2698 1 4 . 1 1 27 27 ARG N N 26 117.397 117.397 120.105 -2.708 18277 2699 1 4 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.535 -0.008 18277 2700 1 4 . 1 1 27 27 ARG C C 26 173.508 173.508 174.308 -0.800 18277 2701 1 4 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.830 1.386 18277 2702 1 4 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.150 1.813 18277 2703 1 4 . 1 1 27 27 ARG H H 26 7.521 7.521 7.477 0.044 18277 2704 1 4 . 1 1 28 28 ILE N N 27 123.297 123.297 124.526 -1.229 18277 2705 1 4 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.348 0.333 18277 2706 1 4 . 1 1 28 28 ILE C C 27 173.872 173.872 174.688 -0.816 18277 2707 1 4 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.461 0.629 18277 2708 1 4 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.619 2.066 18277 2709 1 4 . 1 1 28 28 ILE H H 27 8.662 8.662 8.522 0.140 18277 2710 1 4 . 1 1 29 29 GLN N N 28 125.810 125.810 128.444 -2.634 18277 2711 1 4 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.706 0.046 18277 2712 1 4 . 1 1 29 29 GLN C C 28 174.329 174.329 173.896 0.433 18277 2713 1 4 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.193 -0.124 18277 2714 1 4 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.252 -0.310 18277 2715 1 4 . 1 1 29 29 GLN H H 28 9.282 9.282 8.582 0.700 18277 2716 1 4 . 1 1 30 30 ASP N N 29 125.001 125.001 122.570 2.431 18277 2717 1 4 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.874 0.012 18277 2718 1 4 . 1 1 30 30 ASP C C 29 175.522 175.522 175.044 0.478 18277 2719 1 4 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.719 2.737 18277 2720 1 4 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.263 -1.940 18277 2721 1 4 . 1 1 30 30 ASP H H 29 8.666 8.666 8.427 0.239 18277 2722 1 4 . 1 1 31 31 VAL N N 30 116.978 116.978 115.644 1.334 18277 2723 1 4 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.598 0.046 18277 2724 1 4 . 1 1 31 31 VAL C C 30 175.448 175.448 174.739 0.709 18277 2725 1 4 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.460 -0.282 18277 2726 1 4 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.577 0.548 18277 2727 1 4 . 1 1 31 31 VAL H H 30 7.784 7.784 8.335 -0.551 18277 2728 1 4 . 1 1 32 32 GLN N N 31 121.763 121.763 122.489 -0.726 18277 2729 1 4 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.204 -0.171 18277 2730 1 4 . 1 1 32 32 GLN C C 31 176.620 176.620 175.416 1.204 18277 2731 1 4 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.500 0.683 18277 2732 1 4 . 1 1 32 32 GLN CB C 31 28.042 28.042 27.888 0.154 18277 2733 1 4 . 1 1 32 32 GLN H H 31 8.515 8.515 8.613 -0.098 18277 2734 1 4 . 1 1 33 33 ASP N N 32 121.199 121.199 121.855 -0.656 18277 2735 1 4 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.518 0.457 18277 2736 1 4 . 1 1 33 33 ASP C C 32 176.998 176.998 174.857 2.141 18277 2737 1 4 . 1 1 33 33 ASP CA C 32 55.528 55.528 55.064 0.464 18277 2738 1 4 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.106 1.553 18277 2739 1 4 . 1 1 33 33 ASP H H 32 9.134 9.134 8.417 0.717 18277 2740 1 4 . 1 1 34 34 GLY N N 33 106.691 106.691 101.988 4.703 18277 2741 1 4 . 1 1 34 34 GLY C C 33 171.453 171.453 171.866 -0.413 18277 2742 1 4 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.878 1.487 18277 2743 1 4 . 1 1 34 34 GLY H H 33 8.104 8.104 7.793 0.311 18277 2744 1 4 . 1 1 35 35 LEU N N 34 119.801 119.801 119.621 0.180 18277 2745 1 4 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.811 0.472 18277 2746 1 4 . 1 1 35 35 LEU C C 34 174.568 174.568 174.186 0.382 18277 2747 1 4 . 1 1 35 35 LEU CA C 34 53.568 53.568 54.901 -1.333 18277 2748 1 4 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.411 1.861 18277 2749 1 4 . 1 1 35 35 LEU H H 34 8.491 8.491 8.138 0.353 18277 2750 1 4 . 1 1 36 36 GLN N N 35 121.349 121.349 122.768 -1.419 18277 2751 1 4 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.643 -0.426 18277 2752 1 4 . 1 1 36 36 GLN C C 35 174.530 174.530 174.208 0.322 18277 2753 1 4 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.047 0.717 18277 2754 1 4 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.338 0.142 18277 2755 1 4 . 1 1 36 36 GLN H H 35 8.992 8.992 8.982 0.010 18277 2756 1 4 . 1 1 37 37 LEU N N 36 126.882 126.882 126.723 0.159 18277 2757 1 4 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.116 0.242 18277 2758 1 4 . 1 1 37 37 LEU C C 36 174.519 174.519 176.269 -1.750 18277 2759 1 4 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.294 1.637 18277 2760 1 4 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.815 0.436 18277 2761 1 4 . 1 1 37 37 LEU H H 36 9.826 9.826 8.257 1.569 18277 2762 1 4 . 1 1 38 38 ASP N N 37 122.748 122.748 121.466 1.282 18277 2763 1 4 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.982 0.467 18277 2764 1 4 . 1 1 38 38 ASP C C 37 175.197 175.197 175.473 -0.276 18277 2765 1 4 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.447 -0.068 18277 2766 1 4 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.350 0.712 18277 2767 1 4 . 1 1 38 38 ASP H H 37 8.556 8.556 8.167 0.389 18277 2768 1 4 . 1 1 39 39 VAL N N 38 124.835 124.835 124.070 0.765 18277 2769 1 4 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.827 0.314 18277 2770 1 4 . 1 1 39 39 VAL C C 38 174.081 174.081 175.021 -0.940 18277 2771 1 4 . 1 1 39 39 VAL CA C 38 60.442 60.442 62.134 -1.692 18277 2772 1 4 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.119 2.475 18277 2773 1 4 . 1 1 39 39 VAL H H 38 9.495 9.495 8.932 0.563 18277 2774 1 4 . 1 1 40 40 ARG N N 39 131.221 131.221 127.675 3.546 18277 2775 1 4 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.463 0.053 18277 2776 1 4 . 1 1 40 40 ARG C C 39 174.144 174.144 176.118 -1.974 18277 2777 1 4 . 1 1 40 40 ARG CA C 39 53.504 53.504 54.511 -1.007 18277 2778 1 4 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.532 -0.412 18277 2779 1 4 . 1 1 40 40 ARG H H 39 9.046 9.046 8.276 0.770 18277 2780 1 4 . 1 1 41 41 LEU N N 40 129.501 129.501 123.507 5.994 18277 2781 1 4 . 1 1 41 41 LEU HA H 40 4.026 4.026 3.995 0.031 18277 2782 1 4 . 1 1 41 41 LEU C C 40 176.934 176.934 177.182 -0.248 18277 2783 1 4 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.106 0.757 18277 2784 1 4 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.182 1.566 18277 2785 1 4 . 1 1 41 41 LEU H H 40 7.786 7.786 7.994 -0.208 18277 2786 1 4 . 1 1 42 42 LYS N N 41 112.553 112.553 114.658 -2.105 18277 2787 1 4 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.463 0.231 18277 2788 1 4 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.322 -1.143 18277 2789 1 4 . 1 1 42 42 LYS CB C 41 36.003 36.003 34.900 1.103 18277 2790 1 4 . 1 1 42 42 LYS H H 41 8.313 8.313 7.199 1.114 18277 2791 1 4 . 1 1 43 43 THR HA H 42 3.860 3.860 4.114 -0.254 18277 2792 1 4 . 1 1 43 43 THR C C 42 174.883 174.883 174.009 0.874 18277 2793 1 4 . 1 1 43 43 THR CA C 42 66.494 66.494 65.003 1.491 18277 2794 1 4 . 1 1 43 43 THR CB C 42 68.508 68.508 68.885 -0.377 18277 2795 1 4 . 1 1 44 44 ASP N N 43 114.795 114.795 116.982 -2.187 18277 2796 1 4 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.783 0.046 18277 2797 1 4 . 1 1 44 44 ASP C C 43 176.791 176.791 174.660 2.131 18277 2798 1 4 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.356 -0.435 18277 2799 1 4 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.917 0.153 18277 2800 1 4 . 1 1 44 44 ASP H H 43 7.759 7.759 8.009 -0.250 18277 2801 1 4 . 1 1 45 45 THR N N 44 115.323 115.323 116.264 -0.941 18277 2802 1 4 . 1 1 45 45 THR HA H 44 5.303 5.303 4.731 0.572 18277 2803 1 4 . 1 1 45 45 THR C C 44 171.480 171.480 172.792 -1.312 18277 2804 1 4 . 1 1 45 45 THR CA C 44 62.732 62.732 61.019 1.713 18277 2805 1 4 . 1 1 45 45 THR CB C 44 72.378 72.378 71.668 0.710 18277 2806 1 4 . 1 1 45 45 THR H H 44 7.551 7.551 8.217 -0.666 18277 2807 1 4 . 1 1 46 46 LEU N N 45 130.323 130.323 125.724 4.599 18277 2808 1 4 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.041 -0.087 18277 2809 1 4 . 1 1 46 46 LEU C C 45 174.048 174.048 174.034 0.014 18277 2810 1 4 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.594 -0.237 18277 2811 1 4 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.112 -0.377 18277 2812 1 4 . 1 1 46 46 LEU H H 45 9.590 9.590 8.461 1.129 18277 2813 1 4 . 1 1 47 47 LEU N N 46 127.468 127.468 126.787 0.681 18277 2814 1 4 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.229 -0.079 18277 2815 1 4 . 1 1 47 47 LEU C C 46 173.309 173.309 174.970 -1.661 18277 2816 1 4 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.756 -0.169 18277 2817 1 4 . 1 1 47 47 LEU CB C 46 45.122 45.122 44.679 0.443 18277 2818 1 4 . 1 1 47 47 LEU H H 46 9.673 9.673 9.232 0.441 18277 2819 1 4 . 1 1 48 48 GLU N N 47 131.371 131.371 126.649 4.722 18277 2820 1 4 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.904 0.318 18277 2821 1 4 . 1 1 48 48 GLU C C 47 173.970 173.970 175.165 -1.195 18277 2822 1 4 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.116 -1.443 18277 2823 1 4 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.668 1.242 18277 2824 1 4 . 1 1 48 48 GLU H H 47 9.400 9.400 8.638 0.762 18277 2825 1 4 . 1 1 49 49 LEU N N 48 129.742 129.742 126.549 3.193 18277 2826 1 4 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.452 0.535 18277 2827 1 4 . 1 1 49 49 LEU C C 48 174.115 174.115 174.932 -0.817 18277 2828 1 4 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.203 0.470 18277 2829 1 4 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.757 0.881 18277 2830 1 4 . 1 1 49 49 LEU H H 48 9.433 9.433 7.902 1.531 18277 2831 1 4 . 1 1 50 50 HIS N N 49 126.356 126.356 121.853 4.503 18277 2832 1 4 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.758 -0.338 18277 2833 1 4 . 1 1 50 50 HIS C C 49 174.293 174.293 174.410 -0.117 18277 2834 1 4 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.569 2.057 18277 2835 1 4 . 1 1 50 50 HIS CB C 49 33.850 33.850 32.629 1.221 18277 2836 1 4 . 1 1 50 50 HIS H H 49 9.575 9.575 8.642 0.933 18277 2837 1 4 . 1 1 51 51 ILE N N 50 123.679 123.679 125.210 -1.531 18277 2838 1 4 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.885 0.361 18277 2839 1 4 . 1 1 51 51 ILE C C 50 175.021 175.021 173.679 1.342 18277 2840 1 4 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.258 1.334 18277 2841 1 4 . 1 1 51 51 ILE CB C 50 40.771 40.771 40.154 0.617 18277 2842 1 4 . 1 1 51 51 ILE H H 50 8.991 8.991 8.435 0.556 18277 2843 1 4 . 1 1 52 52 TYR N N 51 126.281 126.281 123.872 2.409 18277 2844 1 4 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.496 -0.025 18277 2845 1 4 . 1 1 52 52 TYR C C 51 171.145 171.145 173.277 -2.132 18277 2846 1 4 . 1 1 52 52 TYR CA C 51 55.612 55.612 54.571 1.041 18277 2847 1 4 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.534 0.587 18277 2848 1 4 . 1 1 52 52 TYR H H 51 9.189 9.189 7.685 1.504 18277 2849 1 4 . 1 1 53 53 TYR N N 52 120.025 120.025 119.712 0.313 18277 2850 1 4 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.256 -0.450 18277 2851 1 4 . 1 1 53 53 TYR C C 52 173.874 173.874 174.255 -0.381 18277 2852 1 4 . 1 1 53 53 TYR CA C 52 56.962 56.962 56.499 0.463 18277 2853 1 4 . 1 1 53 53 TYR CB C 52 39.544 39.544 40.767 -1.223 18277 2854 1 4 . 1 1 53 53 TYR H H 52 7.985 7.985 8.806 -0.821 18277 2855 1 4 . 1 1 54 54 ASP N N 53 127.411 127.411 125.167 2.244 18277 2856 1 4 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.776 -0.083 18277 2857 1 4 . 1 1 54 54 ASP C C 53 175.962 175.962 175.330 0.632 18277 2858 1 4 . 1 1 54 54 ASP CA C 53 52.977 52.977 52.600 0.377 18277 2859 1 4 . 1 1 54 54 ASP CB C 53 43.028 43.028 41.829 1.199 18277 2860 1 4 . 1 1 54 54 ASP H H 53 7.449 7.449 7.619 -0.170 18277 2861 1 4 . 1 1 55 55 HIS N N 54 124.486 124.486 122.453 2.033 18277 2862 1 4 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.332 -0.353 18277 2863 1 4 . 1 1 55 55 HIS C C 54 175.406 175.406 175.328 0.078 18277 2864 1 4 . 1 1 55 55 HIS CA C 54 58.617 58.617 57.117 1.500 18277 2865 1 4 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.674 1.743 18277 2866 1 4 . 1 1 55 55 HIS H H 54 8.512 8.512 8.767 -0.255 18277 2867 1 4 . 1 1 56 56 VAL N N 55 120.625 120.625 118.270 2.355 18277 2868 1 4 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.915 -0.379 18277 2869 1 4 . 1 1 56 56 VAL C C 55 177.379 177.379 176.077 1.302 18277 2870 1 4 . 1 1 56 56 VAL CA C 55 65.174 65.174 64.344 0.830 18277 2871 1 4 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.589 -0.315 18277 2872 1 4 . 1 1 56 56 VAL H H 55 8.397 8.397 7.850 0.547 18277 2873 1 4 . 1 1 57 57 TYR N N 56 115.771 115.771 115.741 0.030 18277 2874 1 4 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.631 -0.365 18277 2875 1 4 . 1 1 57 57 TYR C C 56 174.645 174.645 175.046 -0.401 18277 2876 1 4 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.689 1.037 18277 2877 1 4 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.768 -0.202 18277 2878 1 4 . 1 1 57 57 TYR H H 56 7.641 7.641 7.357 0.284 18277 2879 1 4 . 1 1 58 58 HIS N N 57 116.177 116.177 116.819 -0.642 18277 2880 1 4 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.004 -0.257 18277 2881 1 4 . 1 1 58 58 HIS C C 57 172.860 172.860 173.305 -0.445 18277 2882 1 4 . 1 1 58 58 HIS CA C 57 56.648 56.648 56.947 -0.298 18277 2883 1 4 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.614 -2.312 18277 2884 1 4 . 1 1 58 58 HIS H H 57 7.764 7.764 8.238 -0.474 18277 2885 1 4 . 1 1 59 59 VAL N N 58 104.729 104.729 111.844 -7.115 18277 2886 1 4 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.612 0.088 18277 2887 1 4 . 1 1 59 59 VAL CA C 58 56.332 56.332 57.980 -1.647 18277 2888 1 4 . 1 1 59 59 VAL CB C 58 34.213 34.213 32.736 1.477 18277 2889 1 4 . 1 1 59 59 VAL H H 58 6.310 6.310 7.141 -0.831 18277 2890 1 4 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.452 -0.107 18277 2891 1 4 . 1 1 60 60 PRO C C 59 174.254 174.254 175.686 -1.432 18277 2892 1 4 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.867 -0.277 18277 2893 1 4 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.670 -1.894 18277 2894 1 4 . 1 1 61 61 SER N N 60 116.530 116.530 115.465 1.065 18277 2895 1 4 . 1 1 61 61 SER HA H 60 4.899 4.899 4.709 0.190 18277 2896 1 4 . 1 1 61 61 SER CA C 60 57.691 57.691 55.794 1.897 18277 2897 1 4 . 1 1 61 61 SER CB C 60 66.483 66.483 65.348 1.135 18277 2898 1 4 . 1 1 61 61 SER H H 60 8.854 8.854 8.248 0.606 18277 2899 1 4 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.640 1.064 18277 2900 1 4 . 1 1 62 62 ILE C C 61 176.160 176.160 173.864 2.296 18277 2901 1 4 . 1 1 62 62 ILE CA C 61 59.918 59.918 60.809 -0.891 18277 2902 1 4 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.532 0.257 18277 2903 1 4 . 1 1 63 63 LYS N N 62 123.794 123.794 127.220 -3.426 18277 2904 1 4 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.897 0.797 18277 2905 1 4 . 1 1 63 63 LYS C C 62 174.598 174.598 174.310 0.288 18277 2906 1 4 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.430 -0.922 18277 2907 1 4 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.624 0.079 18277 2908 1 4 . 1 1 63 63 LYS H H 62 9.011 9.011 8.564 0.447 18277 2909 1 4 . 1 1 64 64 PHE N N 63 116.267 116.267 122.056 -5.789 18277 2910 1 4 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.386 0.927 18277 2911 1 4 . 1 1 64 64 PHE C C 63 173.139 173.139 173.635 -0.496 18277 2912 1 4 . 1 1 64 64 PHE CA C 63 56.593 56.593 54.858 1.735 18277 2913 1 4 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.669 0.272 18277 2914 1 4 . 1 1 64 64 PHE H H 63 9.776 9.776 7.509 2.267 18277 2915 1 4 . 1 1 65 65 ARG N N 64 116.428 116.428 119.551 -3.123 18277 2916 1 4 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.978 -0.197 18277 2917 1 4 . 1 1 65 65 ARG C C 64 173.867 173.867 174.692 -0.825 18277 2918 1 4 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.833 0.924 18277 2919 1 4 . 1 1 65 65 ARG CB C 64 35.068 35.068 33.670 1.398 18277 2920 1 4 . 1 1 65 65 ARG H H 64 9.257 9.257 8.571 0.686 18277 2921 1 4 . 1 1 66 66 LEU N N 65 121.826 121.826 124.539 -2.713 18277 2922 1 4 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.412 1.037 18277 2923 1 4 . 1 1 66 66 LEU C C 65 174.002 174.002 176.643 -2.641 18277 2924 1 4 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.678 -1.852 18277 2925 1 4 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.817 3.855 18277 2926 1 4 . 1 1 66 66 LEU H H 65 9.041 9.041 8.810 0.231 18277 2927 1 4 . 1 1 67 67 TRP N N 66 120.671 120.671 123.527 -2.856 18277 2928 1 4 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.478 -0.155 18277 2929 1 4 . 1 1 67 67 TRP C C 66 175.763 175.763 175.951 -0.188 18277 2930 1 4 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.143 -1.061 18277 2931 1 4 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.684 -0.513 18277 2932 1 4 . 1 1 67 67 TRP H H 66 9.366 9.366 9.149 0.217 18277 2933 1 4 . 1 1 68 68 SER N N 67 117.273 117.273 116.198 1.075 18277 2934 1 4 . 1 1 68 68 SER HA H 67 5.297 5.297 4.854 0.443 18277 2935 1 4 . 1 1 68 68 SER C C 67 174.327 174.327 174.110 0.217 18277 2936 1 4 . 1 1 68 68 SER CA C 67 56.883 56.883 57.514 -0.631 18277 2937 1 4 . 1 1 68 68 SER CB C 67 65.230 65.230 63.676 1.554 18277 2938 1 4 . 1 1 68 68 SER H H 67 9.750 9.750 9.439 0.311 18277 2939 1 4 . 1 1 69 69 LEU N N 68 126.002 126.002 130.091 -4.089 18277 2940 1 4 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.535 0.223 18277 2941 1 4 . 1 1 69 69 LEU C C 68 176.022 176.022 176.389 -0.367 18277 2942 1 4 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.784 -1.405 18277 2943 1 4 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.392 0.979 18277 2944 1 4 . 1 1 69 69 LEU H H 68 8.119 8.119 8.051 0.068 18277 2945 1 4 . 1 1 70 70 ASP N N 69 124.828 124.828 125.370 -0.542 18277 2946 1 4 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.935 -0.154 18277 2947 1 4 . 1 1 70 70 ASP C C 69 176.396 176.396 175.689 0.707 18277 2948 1 4 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.786 0.597 18277 2949 1 4 . 1 1 70 70 ASP CB C 69 41.992 41.992 43.336 -1.344 18277 2950 1 4 . 1 1 70 70 ASP H H 69 8.572 8.572 8.104 0.468 18277 2951 1 4 . 1 1 71 71 THR N N 70 114.913 114.913 114.309 0.604 18277 2952 1 4 . 1 1 71 71 THR HA H 70 4.531 4.531 4.500 0.031 18277 2953 1 4 . 1 1 71 71 THR C C 70 174.451 174.451 175.070 -0.619 18277 2954 1 4 . 1 1 71 71 THR CA C 70 61.742 61.742 60.961 0.781 18277 2955 1 4 . 1 1 71 71 THR CB C 70 69.950 69.950 69.078 0.872 18277 2956 1 4 . 1 1 71 71 THR H H 70 8.403 8.403 8.448 -0.045 18277 2957 1 4 . 1 1 72 72 GLU N N 71 123.605 123.605 121.517 2.088 18277 2958 1 4 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.079 0.162 18277 2959 1 4 . 1 1 72 72 GLU C C 71 176.451 176.451 177.047 -0.596 18277 2960 1 4 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.812 -1.605 18277 2961 1 4 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.580 0.830 18277 2962 1 4 . 1 1 72 72 GLU H H 71 8.542 8.542 8.510 0.032 18277 2963 1 4 . 1 1 73 73 GLU N N 72 119.641 119.641 116.242 3.399 18277 2964 1 4 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.403 -0.292 18277 2965 1 4 . 1 1 73 73 GLU C C 72 175.577 175.577 175.718 -0.141 18277 2966 1 4 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.190 0.907 18277 2967 1 4 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.378 -1.035 18277 2968 1 4 . 1 1 73 73 GLU H H 72 8.503 8.503 8.178 0.325 18277 2969 1 4 . 1 1 74 74 ASP N N 73 117.882 117.882 117.847 0.035 18277 2970 1 4 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.461 0.110 18277 2971 1 4 . 1 1 74 74 ASP C C 73 176.077 176.077 175.901 0.176 18277 2972 1 4 . 1 1 74 74 ASP CA C 73 54.494 54.494 54.953 -0.459 18277 2973 1 4 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.553 1.385 18277 2974 1 4 . 1 1 74 74 ASP H H 73 8.228 8.228 8.202 0.026 18277 2975 1 4 . 1 1 75 75 ILE N N 74 120.809 120.809 115.088 5.721 18277 2976 1 4 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.361 -0.152 18277 2977 1 4 . 1 1 75 75 ILE C C 74 175.939 175.939 175.909 0.030 18277 2978 1 4 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.923 0.403 18277 2979 1 4 . 1 1 75 75 ILE CB C 74 38.669 38.669 37.808 0.861 18277 2980 1 4 . 1 1 75 75 ILE H H 74 8.089 8.089 7.950 0.139 18277 2981 1 4 . 1 1 76 76 SER N N 75 119.402 119.402 116.171 3.231 18277 2982 1 4 . 1 1 76 76 SER HA H 75 4.652 4.652 4.246 0.406 18277 2983 1 4 . 1 1 76 76 SER C C 75 174.313 174.313 174.100 0.213 18277 2984 1 4 . 1 1 76 76 SER CA C 75 58.778 58.778 58.241 0.537 18277 2985 1 4 . 1 1 76 76 SER CB C 75 63.860 63.860 62.513 1.347 18277 2986 1 4 . 1 1 76 76 SER H H 75 8.449 8.449 8.113 0.336 18277 2987 1 4 . 1 1 77 77 SER N N 76 118.644 118.644 115.305 3.339 18277 2988 1 4 . 1 1 77 77 SER HA H 76 4.588 4.588 4.403 0.185 18277 2989 1 4 . 1 1 77 77 SER C C 76 173.094 173.094 173.332 -0.238 18277 2990 1 4 . 1 1 77 77 SER CA C 76 57.772 57.772 59.000 -1.228 18277 2991 1 4 . 1 1 77 77 SER CB C 76 64.461 64.461 64.081 0.381 18277 2992 1 4 . 1 1 77 77 SER H H 76 8.280 8.280 7.745 0.535 18277 2993 1 4 . 1 1 78 78 LEU N N 77 123.896 123.896 114.988 8.908 18277 2994 1 4 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.039 -0.041 18277 2995 1 4 . 1 1 78 78 LEU C C 77 177.081 177.081 175.096 1.985 18277 2996 1 4 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.345 0.663 18277 2997 1 4 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.291 -1.270 18277 2998 1 4 . 1 1 78 78 LEU H H 77 7.981 7.981 8.290 -0.309 18277 2999 1 4 . 1 1 79 79 ARG N N 78 123.195 123.195 120.219 2.976 18277 3000 1 4 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.766 0.193 18277 3001 1 4 . 1 1 79 79 ARG C C 78 174.994 174.994 174.272 0.722 18277 3002 1 4 . 1 1 79 79 ARG CA C 78 54.664 54.664 54.801 -0.137 18277 3003 1 4 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.630 -0.350 18277 3004 1 4 . 1 1 79 79 ARG H H 78 9.013 9.013 7.927 1.086 18277 3005 1 4 . 1 1 80 80 LEU N N 79 128.388 128.388 123.835 4.553 18277 3006 1 4 . 1 1 80 80 LEU HA H 79 3.778 3.778 4.108 -0.330 18277 3007 1 4 . 1 1 80 80 LEU C C 79 177.216 177.216 176.289 0.927 18277 3008 1 4 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.266 0.783 18277 3009 1 4 . 1 1 80 80 LEU CB C 79 42.285 42.285 42.120 0.165 18277 3010 1 4 . 1 1 80 80 LEU H H 79 8.807 8.807 8.606 0.201 18277 3011 1 4 . 1 1 81 81 LEU N N 80 127.521 127.521 128.860 -1.339 18277 3012 1 4 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.535 0.028 18277 3013 1 4 . 1 1 81 81 LEU C C 80 176.354 176.354 176.383 -0.029 18277 3014 1 4 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.402 -0.241 18277 3015 1 4 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.216 0.194 18277 3016 1 4 . 1 1 81 81 LEU H H 80 8.478 8.478 8.433 0.045 18277 3017 1 4 . 1 1 82 82 THR N N 81 121.108 121.108 115.627 5.481 18277 3018 1 4 . 1 1 82 82 THR HA H 81 4.391 4.391 4.761 -0.370 18277 3019 1 4 . 1 1 82 82 THR C C 81 173.678 173.678 174.018 -0.340 18277 3020 1 4 . 1 1 82 82 THR CA C 81 61.112 61.112 61.698 -0.586 18277 3021 1 4 . 1 1 82 82 THR CB C 81 68.941 68.941 68.944 -0.003 18277 3022 1 4 . 1 1 82 82 THR H H 81 8.735 8.735 8.092 0.643 18277 3023 1 4 . 1 1 83 83 LEU N N 82 125.276 125.276 122.591 2.685 18277 3024 1 4 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.942 -0.171 18277 3025 1 4 . 1 1 83 83 LEU C C 82 177.192 177.192 175.126 2.066 18277 3026 1 4 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.591 -0.177 18277 3027 1 4 . 1 1 83 83 LEU CB C 82 44.525 44.525 44.344 0.181 18277 3028 1 4 . 1 1 83 83 LEU H H 82 7.985 7.985 8.240 -0.255 18277 3029 1 4 . 1 1 84 84 SER N N 83 118.590 118.590 115.290 3.300 18277 3030 1 4 . 1 1 84 84 SER HA H 83 4.591 4.591 4.524 0.067 18277 3031 1 4 . 1 1 84 84 SER C C 83 174.317 174.317 174.836 -0.519 18277 3032 1 4 . 1 1 84 84 SER CA C 83 57.202 57.202 58.392 -1.190 18277 3033 1 4 . 1 1 84 84 SER CB C 83 65.345 65.345 63.972 1.373 18277 3034 1 4 . 1 1 84 84 SER H H 83 9.214 9.214 8.450 0.764 18277 3035 1 4 . 1 1 85 85 ASP N N 84 121.149 121.149 121.089 0.060 18277 3036 1 4 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.513 -0.170 18277 3037 1 4 . 1 1 85 85 ASP C C 84 178.027 178.027 178.544 -0.517 18277 3038 1 4 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.391 1.400 18277 3039 1 4 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.259 1.727 18277 3040 1 4 . 1 1 85 85 ASP H H 84 9.014 9.014 8.722 0.292 18277 3041 1 4 . 1 1 86 86 SER N N 85 111.874 111.874 113.867 -1.993 18277 3042 1 4 . 1 1 86 86 SER HA H 85 4.110 4.110 4.149 -0.039 18277 3043 1 4 . 1 1 86 86 SER C C 85 177.696 177.696 175.584 2.112 18277 3044 1 4 . 1 1 86 86 SER CA C 85 61.560 61.560 61.224 0.336 18277 3045 1 4 . 1 1 86 86 SER CB C 85 62.355 62.355 63.005 -0.650 18277 3046 1 4 . 1 1 86 86 SER H H 85 8.467 8.467 8.421 0.046 18277 3047 1 4 . 1 1 87 87 GLU N N 86 122.948 122.948 118.876 4.072 18277 3048 1 4 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.227 -0.150 18277 3049 1 4 . 1 1 87 87 GLU C C 86 180.335 180.335 177.702 2.633 18277 3050 1 4 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.474 0.562 18277 3051 1 4 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.390 1.429 18277 3052 1 4 . 1 1 87 87 GLU H H 86 7.660 7.660 8.400 -0.741 18277 3053 1 4 . 1 1 88 88 LEU N N 87 122.341 122.341 120.836 1.505 18277 3054 1 4 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.270 -0.387 18277 3055 1 4 . 1 1 88 88 LEU C C 87 178.818 178.818 177.879 0.939 18277 3056 1 4 . 1 1 88 88 LEU CA C 87 58.074 58.074 56.288 1.786 18277 3057 1 4 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.720 0.651 18277 3058 1 4 . 1 1 88 88 LEU H H 87 8.878 8.878 7.313 1.565 18277 3059 1 4 . 1 1 89 89 ARG N N 88 115.874 115.874 119.891 -4.017 18277 3060 1 4 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.056 0.070 18277 3061 1 4 . 1 1 89 89 ARG C C 88 176.552 176.552 177.720 -1.168 18277 3062 1 4 . 1 1 89 89 ARG CA C 88 58.720 58.720 57.892 0.827 18277 3063 1 4 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.744 0.042 18277 3064 1 4 . 1 1 89 89 ARG H H 88 7.956 7.956 8.386 -0.430 18277 3065 1 4 . 1 1 90 90 SER N N 89 112.295 112.295 113.161 -0.866 18277 3066 1 4 . 1 1 90 90 SER HA H 89 4.565 4.565 4.267 0.298 18277 3067 1 4 . 1 1 90 90 SER C C 89 174.817 174.817 175.555 -0.738 18277 3068 1 4 . 1 1 90 90 SER CA C 89 60.043 60.043 60.417 -0.374 18277 3069 1 4 . 1 1 90 90 SER CB C 89 63.858 63.858 63.077 0.782 18277 3070 1 4 . 1 1 90 90 SER H H 89 7.481 7.481 7.513 -0.032 18277 3071 1 4 . 1 1 91 91 ILE N N 90 116.577 116.577 114.636 1.941 18277 3072 1 4 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.259 0.179 18277 3073 1 4 . 1 1 91 91 ILE C C 90 174.636 174.636 175.276 -0.640 18277 3074 1 4 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.464 0.798 18277 3075 1 4 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.911 1.698 18277 3076 1 4 . 1 1 91 91 ILE H H 90 7.372 7.372 7.142 0.230 18277 3077 1 4 . 1 1 92 92 LEU N N 91 119.723 119.723 119.912 -0.189 18277 3078 1 4 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.486 0.155 18277 3079 1 4 . 1 1 92 92 LEU C C 91 175.178 175.178 175.433 -0.255 18277 3080 1 4 . 1 1 92 92 LEU CA C 91 52.813 52.813 53.550 -0.737 18277 3081 1 4 . 1 1 92 92 LEU CB C 91 43.673 43.673 43.925 -0.252 18277 3082 1 4 . 1 1 92 92 LEU H H 91 7.900 7.900 7.477 0.423 18277 3083 1 4 . 1 1 93 93 ASN N N 92 119.687 119.687 117.146 2.541 18277 3084 1 4 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.905 0.078 18277 3085 1 4 . 1 1 93 93 ASN C C 92 174.978 174.978 174.567 0.411 18277 3086 1 4 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.365 -0.994 18277 3087 1 4 . 1 1 93 93 ASN CB C 92 37.731 37.731 40.094 -2.363 18277 3088 1 4 . 1 1 93 93 ASN H H 92 8.916 8.916 8.396 0.520 18277 3089 1 4 . 1 1 94 94 LEU N N 93 121.052 121.052 124.541 -3.489 18277 3090 1 4 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.400 -0.454 18277 3091 1 4 . 1 1 94 94 LEU C C 93 177.367 177.367 178.712 -1.345 18277 3092 1 4 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.990 0.061 18277 3093 1 4 . 1 1 94 94 LEU CB C 93 42.772 42.772 41.473 1.299 18277 3094 1 4 . 1 1 94 94 LEU H H 93 8.172 8.172 8.692 -0.520 18277 3095 1 4 . 1 1 95 95 GLY N N 94 105.340 105.340 108.208 -2.868 18277 3096 1 4 . 1 1 95 95 GLY C C 94 176.133 176.133 175.600 0.533 18277 3097 1 4 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.119 0.230 18277 3098 1 4 . 1 1 95 95 GLY H H 94 8.281 8.281 8.301 -0.020 18277 3099 1 4 . 1 1 96 96 THR N N 95 117.040 117.040 117.652 -0.612 18277 3100 1 4 . 1 1 96 96 THR HA H 95 4.242 4.242 4.507 -0.265 18277 3101 1 4 . 1 1 96 96 THR C C 95 175.349 175.349 174.876 0.473 18277 3102 1 4 . 1 1 96 96 THR CA C 95 61.859 61.859 61.330 0.529 18277 3103 1 4 . 1 1 96 96 THR CB C 95 68.399 68.399 69.614 -1.215 18277 3104 1 4 . 1 1 96 96 THR H H 95 8.419 8.419 8.025 0.394 18277 3105 1 4 . 1 1 97 97 PHE N N 96 122.590 122.590 122.519 0.071 18277 3106 1 4 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.445 0.277 18277 3107 1 4 . 1 1 97 97 PHE C C 96 174.704 174.704 175.474 -0.770 18277 3108 1 4 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.650 -1.051 18277 3109 1 4 . 1 1 97 97 PHE CB C 96 39.149 39.149 39.991 -0.842 18277 3110 1 4 . 1 1 97 97 PHE H H 96 8.517 8.517 8.431 0.086 18277 3111 1 4 . 1 1 98 98 SER N N 97 114.201 114.201 113.436 0.765 18277 3112 1 4 . 1 1 98 98 SER HA H 97 4.859 4.859 4.801 0.058 18277 3113 1 4 . 1 1 98 98 SER C C 97 173.002 173.002 172.690 0.312 18277 3114 1 4 . 1 1 98 98 SER CA C 97 57.346 57.346 57.641 -0.295 18277 3115 1 4 . 1 1 98 98 SER CB C 97 65.739 65.739 65.906 -0.167 18277 3116 1 4 . 1 1 98 98 SER H H 97 9.129 9.129 8.600 0.529 18277 3117 1 4 . 1 1 99 99 VAL N N 98 120.191 120.191 121.113 -0.922 18277 3118 1 4 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.754 0.765 18277 3119 1 4 . 1 1 99 99 VAL C C 98 175.574 175.574 174.213 1.361 18277 3120 1 4 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.699 -1.309 18277 3121 1 4 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.976 -0.550 18277 3122 1 4 . 1 1 99 99 VAL H H 98 8.655 8.655 8.600 0.055 18277 3123 1 4 . 1 1 100 100 THR N N 99 120.623 120.623 119.647 0.976 18277 3124 1 4 . 1 1 100 100 THR HA H 99 4.729 4.729 4.741 -0.012 18277 3125 1 4 . 1 1 100 100 THR C C 99 172.605 172.605 173.041 -0.436 18277 3126 1 4 . 1 1 100 100 THR CA C 99 61.114 61.114 61.302 -0.188 18277 3127 1 4 . 1 1 100 100 THR CB C 99 71.850 71.850 72.025 -0.175 18277 3128 1 4 . 1 1 100 100 THR H H 99 8.997 8.997 8.572 0.425 18277 3129 1 4 . 1 1 101 101 LEU N N 100 127.613 127.613 128.741 -1.128 18277 3130 1 4 . 1 1 101 101 LEU HA H 100 4.949 4.949 4.593 0.356 18277 3131 1 4 . 1 1 101 101 LEU C C 100 176.666 176.666 175.633 1.033 18277 3132 1 4 . 1 1 101 101 LEU CA C 100 54.689 54.689 54.427 0.262 18277 3133 1 4 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.530 -0.364 18277 3134 1 4 . 1 1 101 101 LEU H H 100 8.766 8.766 8.734 0.032 18277 3135 1 4 . 1 1 102 102 SER N N 101 119.771 119.771 121.289 -1.518 18277 3136 1 4 . 1 1 102 102 SER HA H 101 4.749 4.749 4.846 -0.097 18277 3137 1 4 . 1 1 102 102 SER C C 101 173.477 173.477 172.333 1.144 18277 3138 1 4 . 1 1 102 102 SER CA C 101 57.514 57.514 56.926 0.588 18277 3139 1 4 . 1 1 102 102 SER CB C 101 65.024 65.024 65.747 -0.723 18277 3140 1 4 . 1 1 102 102 SER H H 101 8.926 8.926 9.045 -0.119 18277 3141 1 4 . 1 1 103 103 THR N N 102 117.853 117.853 121.750 -3.897 18277 3142 1 4 . 1 1 103 103 THR HA H 102 4.618 4.618 4.068 0.550 18277 3143 1 4 . 1 1 103 103 THR C C 102 174.020 174.020 173.086 0.934 18277 3144 1 4 . 1 1 103 103 THR CA C 102 61.991 61.991 60.902 1.089 18277 3145 1 4 . 1 1 103 103 THR CB C 102 69.972 69.972 71.584 -1.612 18277 3146 1 4 . 1 1 103 103 THR H H 102 8.409 8.409 8.401 0.008 18277 3147 1 4 . 1 1 104 104 ASP N N 103 125.295 125.295 123.114 2.181 18277 3148 1 4 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.814 -0.106 18277 3149 1 4 . 1 1 104 104 ASP C C 103 176.908 176.908 177.654 -0.746 18277 3150 1 4 . 1 1 104 104 ASP CA C 103 53.559 53.559 53.583 -0.024 18277 3151 1 4 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.791 -0.546 18277 3152 1 4 . 1 1 104 104 ASP H H 103 8.598 8.598 8.133 0.466 18277 3153 1 4 . 1 1 105 105 MET N N 104 122.470 122.470 123.908 -1.438 18277 3154 1 4 . 1 1 105 105 MET HA H 104 4.270 4.270 4.295 -0.025 18277 3155 1 4 . 1 1 105 105 MET C C 104 177.354 177.354 177.086 0.268 18277 3156 1 4 . 1 1 105 105 MET CA C 104 57.300 57.300 57.483 -0.183 18277 3157 1 4 . 1 1 105 105 MET CB C 104 32.108 32.108 32.788 -0.680 18277 3158 1 4 . 1 1 105 105 MET H H 104 8.719 8.719 8.784 -0.065 18277 3159 1 4 . 1 1 106 106 GLU N N 105 118.752 118.752 117.133 1.619 18277 3160 1 4 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.204 0.032 18277 3161 1 4 . 1 1 106 106 GLU C C 105 177.172 177.172 176.669 0.503 18277 3162 1 4 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.613 1.116 18277 3163 1 4 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.929 -0.153 18277 3164 1 4 . 1 1 106 106 GLU H H 105 8.306 8.306 7.910 0.396 18277 3165 1 4 . 1 1 107 107 MET N N 106 116.736 116.736 115.346 1.390 18277 3166 1 4 . 1 1 107 107 MET HA H 106 4.329 4.329 4.134 0.195 18277 3167 1 4 . 1 1 107 107 MET C C 106 176.319 176.319 176.089 0.230 18277 3168 1 4 . 1 1 107 107 MET CA C 106 55.514 55.514 56.630 -1.116 18277 3169 1 4 . 1 1 107 107 MET CB C 106 31.566 31.566 31.621 -0.055 18277 3170 1 4 . 1 1 107 107 MET H H 106 8.206 8.206 7.880 0.326 18277 3171 1 4 . 1 1 108 108 LYS N N 107 117.661 117.661 117.581 0.080 18277 3172 1 4 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.322 -0.236 18277 3173 1 4 . 1 1 108 108 LYS C C 107 176.049 176.049 176.068 -0.019 18277 3174 1 4 . 1 1 108 108 LYS CA C 107 57.100 57.100 57.374 -0.275 18277 3175 1 4 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.995 -2.105 18277 3176 1 4 . 1 1 108 108 LYS H H 107 8.382 8.382 7.822 0.560 18277 3177 1 4 . 1 1 109 109 SER N N 108 113.019 113.019 116.186 -3.167 18277 3178 1 4 . 1 1 109 109 SER HA H 108 4.566 4.566 4.656 -0.090 18277 3179 1 4 . 1 1 109 109 SER C C 108 172.969 172.969 172.110 0.859 18277 3180 1 4 . 1 1 109 109 SER CA C 108 56.997 56.997 57.509 -0.512 18277 3181 1 4 . 1 1 109 109 SER CB C 108 65.035 65.035 65.359 -0.324 18277 3182 1 4 . 1 1 109 109 SER H H 108 7.892 7.892 7.892 0.000 18277 3183 1 4 . 1 1 110 110 VAL N N 109 121.915 121.915 123.471 -1.556 18277 3184 1 4 . 1 1 110 110 VAL HA H 109 4.402 4.402 3.921 0.481 18277 3185 1 4 . 1 1 110 110 VAL C C 109 174.706 174.706 173.529 1.177 18277 3186 1 4 . 1 1 110 110 VAL CA C 109 61.974 61.974 59.601 2.373 18277 3187 1 4 . 1 1 110 110 VAL CB C 109 33.080 33.080 34.555 -1.475 18277 3188 1 4 . 1 1 110 110 VAL H H 109 7.878 7.878 8.293 -0.415 18277 3189 1 4 . 1 1 111 111 TYR N N 110 122.247 122.247 118.259 3.988 18277 3190 1 4 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.833 -0.497 18277 3191 1 4 . 1 1 111 111 TYR C C 110 173.915 173.915 173.198 0.717 18277 3192 1 4 . 1 1 111 111 TYR CA C 110 57.263 57.263 56.057 1.206 18277 3193 1 4 . 1 1 111 111 TYR CB C 110 43.222 43.222 39.474 3.748 18277 3194 1 4 . 1 1 111 111 TYR H H 110 8.317 8.317 8.392 -0.075 18277 3195 1 4 . 1 1 112 112 TYR N N 111 117.096 117.096 115.904 1.192 18277 3196 1 4 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.856 0.013 18277 3197 1 4 . 1 1 112 112 TYR C C 111 175.418 175.418 174.313 1.105 18277 3198 1 4 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.379 0.804 18277 3199 1 4 . 1 1 112 112 TYR CB C 111 38.681 38.681 42.613 -3.932 18277 3200 1 4 . 1 1 112 112 TYR H H 111 8.690 8.690 8.462 0.228 18277 3201 1 4 . 1 1 113 113 TYR N N 112 120.208 120.208 119.128 1.080 18277 3202 1 4 . 1 1 113 113 TYR HA H 112 4.939 4.939 5.173 -0.234 18277 3203 1 4 . 1 1 113 113 TYR C C 112 176.674 176.674 175.577 1.097 18277 3204 1 4 . 1 1 113 113 TYR CA C 112 57.567 57.567 56.646 0.921 18277 3205 1 4 . 1 1 113 113 TYR CB C 112 39.924 39.924 40.661 -0.737 18277 3206 1 4 . 1 1 113 113 TYR H H 112 9.374 9.374 9.268 0.106 18277 3207 1 4 . 1 1 114 114 ILE N N 113 121.490 121.490 124.939 -3.449 18277 3208 1 4 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.023 0.798 18277 3209 1 4 . 1 1 114 114 ILE C C 113 176.329 176.329 176.015 0.314 18277 3210 1 4 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.305 -2.266 18277 3211 1 4 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.291 -1.326 18277 3212 1 4 . 1 1 114 114 ILE H H 113 8.076 8.076 7.889 0.187 18277 3213 1 4 . 1 1 115 115 ASN N N 114 129.212 129.212 125.865 3.347 18277 3214 1 4 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.596 0.105 18277 3215 1 4 . 1 1 115 115 ASN C C 114 175.914 175.914 174.614 1.300 18277 3216 1 4 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.703 0.319 18277 3217 1 4 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.786 -0.237 18277 3218 1 4 . 1 1 115 115 ASN H H 114 8.959 8.959 8.287 0.672 18277 3219 1 4 . 1 1 116 116 ASN N N 115 121.613 121.613 120.603 1.010 18277 3220 1 4 . 1 1 116 116 ASN HA H 115 4.869 4.869 4.916 -0.047 18277 3221 1 4 . 1 1 116 116 ASN C C 115 178.040 178.040 174.806 3.234 18277 3222 1 4 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.827 -0.047 18277 3223 1 4 . 1 1 116 116 ASN CB C 115 39.096 39.096 38.770 0.327 18277 3224 1 4 . 1 1 116 116 ASN H H 115 8.464 8.464 8.425 0.039 18277 3225 1 4 . 1 1 117 117 CYS N N 116 120.777 120.777 116.427 4.350 18277 3226 1 4 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.975 -0.231 18277 3227 1 4 . 1 1 117 117 CYS C C 116 174.635 174.635 174.036 0.599 18277 3228 1 4 . 1 1 117 117 CYS CA C 116 60.087 60.087 59.411 0.676 18277 3229 1 4 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.474 -0.018 18277 3230 1 4 . 1 1 117 117 CYS H H 116 8.256 8.256 7.959 0.297 18277 3231 1 4 . 1 1 118 118 ASP N N 117 119.926 119.926 122.472 -2.546 18277 3232 1 4 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.738 0.161 18277 3233 1 4 . 1 1 118 118 ASP C C 117 176.225 176.225 175.403 0.822 18277 3234 1 4 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.772 -0.362 18277 3235 1 4 . 1 1 118 118 ASP CB C 117 40.174 40.174 40.052 0.122 18277 3236 1 4 . 1 1 118 118 ASP H H 117 8.420 8.420 8.139 0.281 18277 3237 1 4 . 1 1 119 119 THR N N 118 116.185 116.185 115.995 0.190 18277 3238 1 4 . 1 1 119 119 THR HA H 118 4.315 4.315 4.188 0.127 18277 3239 1 4 . 1 1 119 119 THR C C 118 175.349 175.349 175.552 -0.203 18277 3240 1 4 . 1 1 119 119 THR CA C 118 66.029 66.029 66.378 -0.349 18277 3241 1 4 . 1 1 119 119 THR CB C 118 69.654 69.654 69.582 0.072 18277 3242 1 4 . 1 1 119 119 THR H H 118 7.712 7.712 8.162 -0.450 18277 3243 1 4 . 1 1 120 120 ASP N N 119 120.938 120.938 122.205 -1.267 18277 3244 1 4 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.512 0.021 18277 3245 1 4 . 1 1 120 120 ASP C C 119 177.991 177.991 177.548 0.443 18277 3246 1 4 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.243 -0.337 18277 3247 1 4 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.562 0.375 18277 3248 1 4 . 1 1 120 120 ASP H H 119 8.730 8.730 8.724 0.006 18277 3249 1 4 . 1 1 121 121 ALA N N 120 122.818 122.818 119.598 3.220 18277 3250 1 4 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.280 -0.102 18277 3251 1 4 . 1 1 121 121 ALA C C 120 178.787 178.787 177.941 0.846 18277 3252 1 4 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.697 0.194 18277 3253 1 4 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.868 -0.397 18277 3254 1 4 . 1 1 121 121 ALA H H 120 8.033 8.033 8.303 -0.270 18277 3255 1 4 . 1 1 122 122 ASN N N 121 116.085 116.085 117.096 -1.011 18277 3256 1 4 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.727 -0.093 18277 3257 1 4 . 1 1 122 122 ASN C C 121 176.235 176.235 177.002 -0.767 18277 3258 1 4 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.431 0.065 18277 3259 1 4 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.642 -0.753 18277 3260 1 4 . 1 1 122 122 ASN H H 121 8.128 8.128 7.963 0.165 18277 3261 1 4 . 1 1 123 123 VAL N N 122 117.803 117.803 119.343 -1.540 18277 3262 1 4 . 1 1 123 123 VAL HA H 122 3.962 3.962 4.032 -0.070 18277 3263 1 4 . 1 1 123 123 VAL C C 122 176.973 176.973 177.284 -0.311 18277 3264 1 4 . 1 1 123 123 VAL CA C 122 63.916 63.916 64.277 -0.361 18277 3265 1 4 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.649 0.246 18277 3266 1 4 . 1 1 123 123 VAL H H 122 8.262 8.262 8.301 -0.039 18277 3267 1 4 . 1 1 124 124 GLY N N 123 110.472 110.472 106.923 3.549 18277 3268 1 4 . 1 1 124 124 GLY C C 123 174.107 174.107 174.088 0.019 18277 3269 1 4 . 1 1 124 124 GLY CA C 123 45.401 45.401 45.592 -0.191 18277 3270 1 4 . 1 1 124 124 GLY H H 123 8.172 8.172 7.834 0.338 18277 3271 1 4 . 1 1 125 125 SER N N 124 113.065 113.065 115.945 -2.880 18277 3272 1 4 . 1 1 125 125 SER HA H 124 4.529 4.529 4.315 0.214 18277 3273 1 4 . 1 1 125 125 SER C C 124 174.664 174.664 174.988 -0.324 18277 3274 1 4 . 1 1 125 125 SER CA C 124 58.981 58.981 58.843 0.138 18277 3275 1 4 . 1 1 125 125 SER CB C 124 64.492 64.492 64.268 0.224 18277 3276 1 4 . 1 1 125 125 SER H H 124 8.139 8.139 8.064 0.075 18277 3277 1 4 . 1 1 126 126 ASP N N 125 121.312 121.312 123.140 -1.828 18277 3278 1 4 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.420 0.287 18277 3279 1 4 . 1 1 126 126 ASP C C 125 177.029 177.029 176.203 0.826 18277 3280 1 4 . 1 1 126 126 ASP CA C 125 54.232 54.232 54.833 -0.601 18277 3281 1 4 . 1 1 126 126 ASP CB C 125 40.878 40.878 41.551 -0.673 18277 3282 1 4 . 1 1 126 126 ASP H H 125 8.146 8.146 8.462 -0.316 18277 3283 1 4 . 1 1 127 127 VAL N N 126 123.444 123.444 118.300 5.144 18277 3284 1 4 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.779 0.047 18277 3285 1 4 . 1 1 127 127 VAL C C 126 177.304 177.304 177.694 -0.390 18277 3286 1 4 . 1 1 127 127 VAL CA C 126 65.899 65.899 63.556 2.343 18277 3287 1 4 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.623 0.599 18277 3288 1 4 . 1 1 127 127 VAL H H 126 8.474 8.474 8.294 0.180 18277 3289 1 4 . 1 1 128 128 GLU N N 127 120.874 120.874 120.769 0.105 18277 3290 1 4 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.082 -0.149 18277 3291 1 4 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.892 -0.232 18277 3292 1 4 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.222 -0.142 18277 3293 1 4 . 1 1 128 128 GLU H H 127 8.504 8.504 8.187 0.317 18277 3294 1 4 . 1 1 129 129 HIS HA H 128 4.749 4.749 5.035 -0.286 18277 3295 1 4 . 1 1 129 129 HIS C C 128 174.898 174.898 174.893 0.005 18277 3296 1 4 . 1 1 129 129 HIS CA C 128 56.448 56.448 53.774 2.674 18277 3297 1 4 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.333 0.712 18277 3298 1 4 . 1 1 130 130 TYR N N 129 122.615 122.615 122.686 -0.071 18277 3299 1 4 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.421 -0.421 18277 3300 1 4 . 1 1 130 130 TYR C C 129 178.544 178.544 176.803 1.741 18277 3301 1 4 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.029 1.079 18277 3302 1 4 . 1 1 130 130 TYR CB C 129 39.542 39.542 39.113 0.429 18277 3303 1 4 . 1 1 130 130 TYR H H 129 8.118 8.118 7.977 0.141 18277 3304 1 4 . 1 1 131 131 LEU N N 130 116.037 116.037 117.338 -1.301 18277 3305 1 4 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.322 0.027 18277 3306 1 4 . 1 1 131 131 LEU C C 130 179.368 179.368 179.060 0.308 18277 3307 1 4 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.794 1.022 18277 3308 1 4 . 1 1 131 131 LEU CB C 130 41.369 41.369 41.029 0.340 18277 3309 1 4 . 1 1 131 131 LEU H H 130 9.092 9.092 8.635 0.457 18277 3310 1 4 . 1 1 132 132 THR N N 131 113.629 113.629 109.293 4.336 18277 3311 1 4 . 1 1 132 132 THR HA H 131 4.007 4.007 4.268 -0.261 18277 3312 1 4 . 1 1 132 132 THR C C 131 177.255 177.255 176.304 0.951 18277 3313 1 4 . 1 1 132 132 THR CA C 131 66.505 66.505 64.663 1.841 18277 3314 1 4 . 1 1 132 132 THR CB C 131 68.052 68.052 68.395 -0.343 18277 3315 1 4 . 1 1 132 132 THR H H 131 8.129 8.129 8.081 0.048 18277 3316 1 4 . 1 1 133 133 ARG N N 132 124.720 124.720 122.100 2.620 18277 3317 1 4 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.276 -0.160 18277 3318 1 4 . 1 1 133 133 ARG C C 132 178.921 178.921 176.930 1.991 18277 3319 1 4 . 1 1 133 133 ARG CA C 132 60.037 60.037 57.928 2.109 18277 3320 1 4 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.261 0.013 18277 3321 1 4 . 1 1 133 133 ARG H H 132 8.187 8.187 8.127 0.060 18277 3322 1 4 . 1 1 134 134 TRP N N 133 120.307 120.307 118.864 1.443 18277 3323 1 4 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.529 -0.302 18277 3324 1 4 . 1 1 134 134 TRP C C 133 177.823 177.823 176.903 0.920 18277 3325 1 4 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.471 2.999 18277 3326 1 4 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.258 -1.502 18277 3327 1 4 . 1 1 134 134 TRP H H 133 9.167 9.167 8.295 0.872 18277 3328 1 4 . 1 1 135 135 ILE N N 134 117.595 117.595 120.705 -3.110 18277 3329 1 4 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.518 0.065 18277 3330 1 4 . 1 1 135 135 ILE C C 134 176.333 176.333 177.094 -0.761 18277 3331 1 4 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.526 -2.818 18277 3332 1 4 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.056 -0.923 18277 3333 1 4 . 1 1 135 135 ILE H H 134 9.000 9.000 7.697 1.303 18277 3334 1 4 . 1 1 136 136 SER N N 135 116.548 116.548 113.428 3.120 18277 3335 1 4 . 1 1 136 136 SER HA H 135 3.931 3.931 3.850 0.081 18277 3336 1 4 . 1 1 136 136 SER C C 135 174.339 174.339 175.358 -1.019 18277 3337 1 4 . 1 1 136 136 SER CA C 135 62.535 62.535 59.725 2.810 18277 3338 1 4 . 1 1 136 136 SER CB C 135 62.820 62.820 62.471 0.349 18277 3339 1 4 . 1 1 136 136 SER H H 135 7.592 7.592 7.632 -0.040 18277 3340 1 4 . 1 1 137 137 LEU N N 136 119.693 119.693 120.848 -1.155 18277 3341 1 4 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.304 -0.107 18277 3342 1 4 . 1 1 137 137 LEU C C 136 178.376 178.376 177.181 1.195 18277 3343 1 4 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.988 0.128 18277 3344 1 4 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.606 0.382 18277 3345 1 4 . 1 1 137 137 LEU H H 136 7.247 7.247 7.360 -0.113 18277 3346 1 4 . 1 1 138 138 TYR N N 137 116.295 116.295 117.455 -1.160 18277 3347 1 4 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.008 -0.364 18277 3348 1 4 . 1 1 138 138 TYR C C 137 178.142 178.142 177.422 0.720 18277 3349 1 4 . 1 1 138 138 TYR CA C 137 61.396 61.396 58.706 2.690 18277 3350 1 4 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.084 -0.177 18277 3351 1 4 . 1 1 138 138 TYR H H 137 8.057 8.057 7.877 0.180 18277 3352 1 4 . 1 1 139 139 ILE N N 138 117.755 117.755 121.185 -3.430 18277 3353 1 4 . 1 1 139 139 ILE HA H 138 3.818 3.818 2.349 1.469 18277 3354 1 4 . 1 1 139 139 ILE C C 138 176.943 176.943 177.205 -0.262 18277 3355 1 4 . 1 1 139 139 ILE CA C 138 61.684 61.684 62.649 -0.965 18277 3356 1 4 . 1 1 139 139 ILE CB C 138 36.768 36.768 36.703 0.065 18277 3357 1 4 . 1 1 139 139 ILE H H 138 8.371 8.371 7.693 0.678 18277 3358 1 4 . 1 1 140 140 ARG N N 139 118.103 118.103 118.545 -0.442 18277 3359 1 4 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.054 0.021 18277 3360 1 4 . 1 1 140 140 ARG C C 139 176.776 176.776 178.142 -1.366 18277 3361 1 4 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.725 -1.196 18277 3362 1 4 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.766 0.075 18277 3363 1 4 . 1 1 140 140 ARG H H 139 6.762 6.762 7.703 -0.941 18277 3364 1 4 . 1 1 141 141 ILE N N 140 117.603 117.603 118.126 -0.523 18277 3365 1 4 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.891 -0.120 18277 3366 1 4 . 1 1 141 141 ILE C C 140 176.448 176.448 176.575 -0.127 18277 3367 1 4 . 1 1 141 141 ILE CA C 140 63.370 63.370 64.106 -0.736 18277 3368 1 4 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.914 0.905 18277 3369 1 4 . 1 1 141 141 ILE H H 140 7.056 7.056 8.099 -1.043 18277 3370 1 4 . 1 1 142 142 PHE N N 141 114.969 114.969 115.750 -0.781 18277 3371 1 4 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.712 -0.318 18277 3372 1 4 . 1 1 142 142 PHE C C 141 175.503 175.503 175.535 -0.032 18277 3373 1 4 . 1 1 142 142 PHE CA C 141 58.126 58.126 57.693 0.433 18277 3374 1 4 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.531 -1.093 18277 3375 1 4 . 1 1 142 142 PHE H H 141 7.287 7.287 8.006 -0.719 18277 3376 1 4 . 1 1 143 143 ASP N N 142 116.492 116.492 120.591 -4.099 18277 3377 1 4 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.891 -0.146 18277 3378 1 4 . 1 1 143 143 ASP C C 142 175.131 175.131 175.508 -0.377 18277 3379 1 4 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.191 0.822 18277 3380 1 4 . 1 1 143 143 ASP CB C 142 42.996 42.996 41.544 1.452 18277 3381 1 4 . 1 1 143 143 ASP H H 142 7.697 7.697 8.278 -0.581 18277 3382 1 4 . 1 1 144 144 LEU N N 143 126.435 126.435 125.700 0.735 18277 3383 1 4 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.284 -0.098 18277 3384 1 4 . 1 1 144 144 LEU C C 143 177.297 177.297 177.256 0.041 18277 3385 1 4 . 1 1 144 144 LEU CA C 143 56.940 56.940 56.120 0.820 18277 3386 1 4 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.877 0.732 18277 3387 1 4 . 1 1 144 144 LEU H H 143 8.790 8.790 8.617 0.173 18277 3388 1 4 . 1 1 145 145 ASN N N 144 114.711 114.711 117.609 -2.898 18277 3389 1 4 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.755 0.068 18277 3390 1 4 . 1 1 145 145 ASN C C 144 174.879 174.879 174.576 0.303 18277 3391 1 4 . 1 1 145 145 ASN CA C 144 53.151 53.151 54.370 -1.219 18277 3392 1 4 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.161 -0.466 18277 3393 1 4 . 1 1 145 145 ASN H H 144 8.569 8.569 8.018 0.551 18277 3394 1 4 . 1 1 146 146 PHE N N 145 121.472 121.472 121.725 -0.253 18277 3395 1 4 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.575 -0.066 18277 3396 1 4 . 1 1 146 146 PHE C C 145 173.397 173.397 173.686 -0.289 18277 3397 1 4 . 1 1 146 146 PHE CA C 145 57.895 57.895 56.433 1.462 18277 3398 1 4 . 1 1 146 146 PHE CB C 145 38.987 38.987 39.092 -0.105 18277 3399 1 4 . 1 1 146 146 PHE H H 145 7.214 7.214 7.404 -0.190 18277 3400 1 4 . 1 1 147 147 VAL N N 146 128.813 128.813 124.980 3.833 18277 3401 1 4 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.271 -0.199 18277 3402 1 4 . 1 1 147 147 VAL CA C 146 58.698 58.698 58.212 0.486 18277 3403 1 4 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.415 2.054 18277 3404 1 4 . 1 1 147 147 VAL H H 146 7.666 7.666 7.939 -0.273 18277 3405 1 5 . 1 1 2 2 MET N N 1 121.461 121.461 121.056 0.405 18277 3406 1 5 . 1 1 2 2 MET HA H 1 4.581 4.581 3.992 0.589 18277 3407 1 5 . 1 1 2 2 MET C C 1 175.184 175.184 174.889 0.295 18277 3408 1 5 . 1 1 2 2 MET CA C 1 55.447 55.447 56.733 -1.286 18277 3409 1 5 . 1 1 2 2 MET CB C 1 34.107 34.107 31.765 2.342 18277 3410 1 5 . 1 1 2 2 MET H H 1 8.431 8.431 8.794 -0.363 18277 3411 1 5 . 1 1 3 3 LEU N N 2 123.575 123.575 118.911 4.664 18277 3412 1 5 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.603 -0.133 18277 3413 1 5 . 1 1 3 3 LEU C C 2 176.479 176.479 176.422 0.057 18277 3414 1 5 . 1 1 3 3 LEU CA C 2 54.544 54.544 54.823 -0.279 18277 3415 1 5 . 1 1 3 3 LEU CB C 2 43.200 43.200 43.424 -0.224 18277 3416 1 5 . 1 1 3 3 LEU H H 2 8.678 8.678 7.541 1.137 18277 3417 1 5 . 1 1 4 4 THR N N 3 119.326 119.326 117.697 1.629 18277 3418 1 5 . 1 1 4 4 THR HA H 3 4.398 4.398 4.580 -0.182 18277 3419 1 5 . 1 1 4 4 THR C C 3 173.920 173.920 175.770 -1.850 18277 3420 1 5 . 1 1 4 4 THR CA C 3 61.025 61.025 60.761 0.264 18277 3421 1 5 . 1 1 4 4 THR CB C 3 71.090 71.090 70.386 0.704 18277 3422 1 5 . 1 1 4 4 THR H H 3 8.541 8.541 8.337 0.204 18277 3423 1 5 . 1 1 5 5 LEU N N 4 122.107 122.107 120.393 1.714 18277 3424 1 5 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.741 -0.453 18277 3425 1 5 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.559 0.533 18277 3426 1 5 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.563 0.243 18277 3427 1 5 . 1 1 5 5 LEU H H 4 8.777 8.777 8.430 0.347 18277 3428 1 5 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.384 -0.038 18277 3429 1 5 . 1 1 6 6 PRO C C 5 179.812 179.812 177.978 1.834 18277 3430 1 5 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.941 1.319 18277 3431 1 5 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.080 -0.021 18277 3432 1 5 . 1 1 7 7 GLU N N 6 117.744 117.744 117.034 0.710 18277 3433 1 5 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.255 -0.229 18277 3434 1 5 . 1 1 7 7 GLU C C 6 178.359 178.359 177.173 1.186 18277 3435 1 5 . 1 1 7 7 GLU CA C 6 59.103 59.103 57.842 1.261 18277 3436 1 5 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.279 -0.009 18277 3437 1 5 . 1 1 7 7 GLU H H 6 7.088 7.088 7.792 -0.704 18277 3438 1 5 . 1 1 8 8 TYR N N 7 120.825 120.825 117.536 3.289 18277 3439 1 5 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.517 -0.622 18277 3440 1 5 . 1 1 8 8 TYR C C 7 176.641 176.641 176.847 -0.206 18277 3441 1 5 . 1 1 8 8 TYR CA C 7 61.519 61.519 58.764 2.756 18277 3442 1 5 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.254 -1.526 18277 3443 1 5 . 1 1 8 8 TYR H H 7 8.310 8.310 7.661 0.649 18277 3444 1 5 . 1 1 9 9 ASN N N 8 118.086 118.086 119.058 -0.972 18277 3445 1 5 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.240 0.078 18277 3446 1 5 . 1 1 9 9 ASN C C 8 179.060 179.060 177.625 1.435 18277 3447 1 5 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.463 0.311 18277 3448 1 5 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.912 0.397 18277 3449 1 5 . 1 1 9 9 ASN H H 8 8.791 8.791 8.231 0.560 18277 3450 1 5 . 1 1 10 10 GLU N N 9 120.057 120.057 119.811 0.246 18277 3451 1 5 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.174 -0.061 18277 3452 1 5 . 1 1 10 10 GLU C C 9 177.853 177.853 176.978 0.875 18277 3453 1 5 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.554 -0.048 18277 3454 1 5 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.247 0.394 18277 3455 1 5 . 1 1 10 10 GLU H H 9 8.013 8.013 8.528 -0.515 18277 3456 1 5 . 1 1 11 11 GLN N N 10 116.468 116.468 116.851 -0.383 18277 3457 1 5 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.523 -0.073 18277 3458 1 5 . 1 1 11 11 GLN C C 10 177.470 177.470 176.203 1.267 18277 3459 1 5 . 1 1 11 11 GLN CA C 10 56.997 56.997 54.951 2.046 18277 3460 1 5 . 1 1 11 11 GLN CB C 10 30.725 30.725 28.985 1.740 18277 3461 1 5 . 1 1 11 11 GLN H H 10 7.488 7.488 7.382 0.106 18277 3462 1 5 . 1 1 12 12 ILE N N 11 124.393 124.393 122.540 1.853 18277 3463 1 5 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.754 0.074 18277 3464 1 5 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.527 -2.021 18277 3465 1 5 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.659 -1.401 18277 3466 1 5 . 1 1 12 12 ILE H H 11 7.605 7.605 7.134 0.471 18277 3467 1 5 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.529 -0.292 18277 3468 1 5 . 1 1 13 13 PRO C C 12 179.113 179.113 177.323 1.790 18277 3469 1 5 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.507 1.920 18277 3470 1 5 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.732 0.345 18277 3471 1 5 . 1 1 14 14 ASN N N 13 115.499 115.499 118.496 -2.997 18277 3472 1 5 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.683 -0.091 18277 3473 1 5 . 1 1 14 14 ASN C C 13 178.208 178.208 177.118 1.090 18277 3474 1 5 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.880 0.911 18277 3475 1 5 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.429 -0.385 18277 3476 1 5 . 1 1 14 14 ASN H H 13 7.793 7.793 7.894 -0.101 18277 3477 1 5 . 1 1 15 15 VAL N N 14 121.205 121.205 121.774 -0.569 18277 3478 1 5 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.730 -0.030 18277 3479 1 5 . 1 1 15 15 VAL C C 14 176.999 176.999 177.174 -0.175 18277 3480 1 5 . 1 1 15 15 VAL CA C 14 66.544 66.544 67.292 -0.748 18277 3481 1 5 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.983 -0.558 18277 3482 1 5 . 1 1 15 15 VAL H H 14 7.704 7.704 7.665 0.039 18277 3483 1 5 . 1 1 16 16 ARG N N 15 121.067 121.067 119.456 1.611 18277 3484 1 5 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.093 -0.379 18277 3485 1 5 . 1 1 16 16 ARG C C 15 178.150 178.150 178.363 -0.213 18277 3486 1 5 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.477 1.043 18277 3487 1 5 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.619 0.596 18277 3488 1 5 . 1 1 16 16 ARG H H 15 8.855 8.855 7.681 1.174 18277 3489 1 5 . 1 1 17 17 SER N N 16 112.741 112.741 114.565 -1.824 18277 3490 1 5 . 1 1 17 17 SER HA H 16 4.245 4.245 4.331 -0.086 18277 3491 1 5 . 1 1 17 17 SER C C 16 177.177 177.177 176.061 1.116 18277 3492 1 5 . 1 1 17 17 SER CA C 16 61.756 61.756 60.862 0.894 18277 3493 1 5 . 1 1 17 17 SER CB C 16 62.785 62.785 63.042 -0.257 18277 3494 1 5 . 1 1 17 17 SER H H 16 7.987 7.987 8.097 -0.110 18277 3495 1 5 . 1 1 18 18 LEU N N 17 122.703 122.703 119.446 3.257 18277 3496 1 5 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.431 -0.174 18277 3497 1 5 . 1 1 18 18 LEU C C 17 179.350 179.350 178.706 0.644 18277 3498 1 5 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.458 1.026 18277 3499 1 5 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.359 1.116 18277 3500 1 5 . 1 1 18 18 LEU H H 17 7.728 7.728 7.546 0.182 18277 3501 1 5 . 1 1 19 19 LEU N N 18 116.536 116.536 120.640 -4.104 18277 3502 1 5 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.294 -0.063 18277 3503 1 5 . 1 1 19 19 LEU C C 18 178.556 178.556 178.855 -0.299 18277 3504 1 5 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.609 -0.334 18277 3505 1 5 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.355 0.361 18277 3506 1 5 . 1 1 19 19 LEU H H 18 8.367 8.367 8.840 -0.473 18277 3507 1 5 . 1 1 20 20 THR N N 19 111.172 111.172 111.019 0.153 18277 3508 1 5 . 1 1 20 20 THR HA H 19 4.072 4.072 4.208 -0.136 18277 3509 1 5 . 1 1 20 20 THR C C 19 175.433 175.433 175.699 -0.266 18277 3510 1 5 . 1 1 20 20 THR CA C 19 65.421 65.421 64.505 0.916 18277 3511 1 5 . 1 1 20 20 THR CB C 19 69.541 69.541 67.797 1.744 18277 3512 1 5 . 1 1 20 20 THR H H 19 7.926 7.926 7.989 -0.063 18277 3513 1 5 . 1 1 21 21 LYS N N 20 117.696 117.696 119.230 -1.534 18277 3514 1 5 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.362 -0.011 18277 3515 1 5 . 1 1 21 21 LYS C C 20 176.229 176.229 177.948 -1.719 18277 3516 1 5 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.177 0.337 18277 3517 1 5 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.481 -0.132 18277 3518 1 5 . 1 1 21 21 LYS H H 20 7.350 7.350 7.674 -0.324 18277 3519 1 5 . 1 1 22 22 TRP N N 21 123.258 123.258 123.864 -0.606 18277 3520 1 5 . 1 1 22 22 TRP HA H 21 4.768 4.768 4.690 0.078 18277 3521 1 5 . 1 1 22 22 TRP C C 21 177.333 177.333 176.934 0.399 18277 3522 1 5 . 1 1 22 22 TRP CA C 21 54.466 54.466 57.930 -3.464 18277 3523 1 5 . 1 1 22 22 TRP CB C 21 28.882 28.882 29.322 -0.440 18277 3524 1 5 . 1 1 22 22 TRP H H 21 7.710 7.710 8.138 -0.428 18277 3525 1 5 . 1 1 23 23 ALA N N 22 133.336 133.336 128.961 4.375 18277 3526 1 5 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.354 -0.208 18277 3527 1 5 . 1 1 23 23 ALA C C 22 177.467 177.467 177.062 0.405 18277 3528 1 5 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.004 1.851 18277 3529 1 5 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.288 -0.324 18277 3530 1 5 . 1 1 23 23 ALA H H 22 9.658 9.658 9.038 0.620 18277 3531 1 5 . 1 1 24 24 LYS N N 23 111.352 111.352 117.375 -6.023 18277 3532 1 5 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.142 -0.142 18277 3533 1 5 . 1 1 24 24 LYS C C 23 175.467 175.467 175.930 -0.463 18277 3534 1 5 . 1 1 24 24 LYS CA C 23 56.522 56.522 56.749 -0.227 18277 3535 1 5 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.740 0.566 18277 3536 1 5 . 1 1 24 24 LYS H H 23 5.756 5.756 7.830 -2.074 18277 3537 1 5 . 1 1 25 25 VAL N N 24 119.937 119.937 118.645 1.292 18277 3538 1 5 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.533 -0.155 18277 3539 1 5 . 1 1 25 25 VAL C C 24 175.634 175.634 175.359 0.275 18277 3540 1 5 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.917 0.546 18277 3541 1 5 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.637 0.384 18277 3542 1 5 . 1 1 25 25 VAL H H 24 7.179 7.179 7.433 -0.254 18277 3543 1 5 . 1 1 26 26 GLU N N 25 127.218 127.218 127.142 0.076 18277 3544 1 5 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.357 0.051 18277 3545 1 5 . 1 1 26 26 GLU C C 25 176.448 176.448 176.271 0.177 18277 3546 1 5 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.701 0.275 18277 3547 1 5 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.694 -0.288 18277 3548 1 5 . 1 1 26 26 GLU H H 25 9.017 9.017 8.800 0.217 18277 3549 1 5 . 1 1 27 27 ARG N N 26 117.397 117.397 119.915 -2.518 18277 3550 1 5 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.597 -0.070 18277 3551 1 5 . 1 1 27 27 ARG C C 26 173.508 173.508 174.298 -0.790 18277 3552 1 5 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.660 1.556 18277 3553 1 5 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.852 1.111 18277 3554 1 5 . 1 1 27 27 ARG H H 26 7.521 7.521 7.615 -0.094 18277 3555 1 5 . 1 1 28 28 ILE N N 27 123.297 123.297 124.684 -1.387 18277 3556 1 5 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.450 0.231 18277 3557 1 5 . 1 1 28 28 ILE C C 27 173.872 173.872 174.366 -0.494 18277 3558 1 5 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.115 0.975 18277 3559 1 5 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.467 2.218 18277 3560 1 5 . 1 1 28 28 ILE H H 27 8.662 8.662 8.466 0.196 18277 3561 1 5 . 1 1 29 29 GLN N N 28 125.810 125.810 126.921 -1.111 18277 3562 1 5 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.673 0.079 18277 3563 1 5 . 1 1 29 29 GLN C C 28 174.329 174.329 174.039 0.290 18277 3564 1 5 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.210 -0.141 18277 3565 1 5 . 1 1 29 29 GLN CB C 28 32.942 32.942 32.818 0.124 18277 3566 1 5 . 1 1 29 29 GLN H H 28 9.282 9.282 8.404 0.878 18277 3567 1 5 . 1 1 30 30 ASP N N 29 125.001 125.001 122.655 2.346 18277 3568 1 5 . 1 1 30 30 ASP HA H 29 4.886 4.886 5.019 -0.133 18277 3569 1 5 . 1 1 30 30 ASP C C 29 175.522 175.522 174.971 0.551 18277 3570 1 5 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.263 3.193 18277 3571 1 5 . 1 1 30 30 ASP CB C 29 41.323 41.323 42.165 -0.842 18277 3572 1 5 . 1 1 30 30 ASP H H 29 8.666 8.666 8.419 0.247 18277 3573 1 5 . 1 1 31 31 VAL N N 30 116.978 116.978 117.651 -0.673 18277 3574 1 5 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.570 0.074 18277 3575 1 5 . 1 1 31 31 VAL C C 30 175.448 175.448 175.590 -0.142 18277 3576 1 5 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.909 -0.731 18277 3577 1 5 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.202 0.922 18277 3578 1 5 . 1 1 31 31 VAL H H 30 7.784 7.784 7.634 0.150 18277 3579 1 5 . 1 1 32 32 GLN N N 31 121.763 121.763 120.814 0.949 18277 3580 1 5 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.357 -0.324 18277 3581 1 5 . 1 1 32 32 GLN C C 31 176.620 176.620 175.054 1.566 18277 3582 1 5 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.073 1.110 18277 3583 1 5 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.565 -0.523 18277 3584 1 5 . 1 1 32 32 GLN H H 31 8.515 8.515 8.782 -0.267 18277 3585 1 5 . 1 1 33 33 ASP N N 32 121.199 121.199 114.180 7.019 18277 3586 1 5 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.834 0.141 18277 3587 1 5 . 1 1 33 33 ASP C C 32 176.998 176.998 175.555 1.443 18277 3588 1 5 . 1 1 33 33 ASP CA C 32 55.528 55.528 53.326 2.202 18277 3589 1 5 . 1 1 33 33 ASP CB C 32 40.659 40.659 41.475 -0.816 18277 3590 1 5 . 1 1 33 33 ASP H H 32 9.134 9.134 8.096 1.038 18277 3591 1 5 . 1 1 34 34 GLY N N 33 106.691 106.691 107.839 -1.148 18277 3592 1 5 . 1 1 34 34 GLY C C 33 171.453 171.453 172.188 -0.735 18277 3593 1 5 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.773 1.592 18277 3594 1 5 . 1 1 34 34 GLY H H 33 8.104 8.104 7.689 0.415 18277 3595 1 5 . 1 1 35 35 LEU N N 34 119.801 119.801 121.261 -1.460 18277 3596 1 5 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.674 0.609 18277 3597 1 5 . 1 1 35 35 LEU C C 34 174.568 174.568 173.726 0.842 18277 3598 1 5 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.365 -1.797 18277 3599 1 5 . 1 1 35 35 LEU CB C 34 49.272 49.272 46.797 2.475 18277 3600 1 5 . 1 1 35 35 LEU H H 34 8.491 8.491 7.930 0.561 18277 3601 1 5 . 1 1 36 36 GLN N N 35 121.349 121.349 122.340 -0.991 18277 3602 1 5 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.382 -0.165 18277 3603 1 5 . 1 1 36 36 GLN C C 35 174.530 174.530 174.022 0.508 18277 3604 1 5 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.294 0.470 18277 3605 1 5 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.498 -0.018 18277 3606 1 5 . 1 1 36 36 GLN H H 35 8.992 8.992 8.916 0.076 18277 3607 1 5 . 1 1 37 37 LEU N N 36 126.882 126.882 126.803 0.079 18277 3608 1 5 . 1 1 37 37 LEU HA H 36 5.358 5.358 4.822 0.536 18277 3609 1 5 . 1 1 37 37 LEU C C 36 174.519 174.519 175.911 -1.392 18277 3610 1 5 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.573 1.358 18277 3611 1 5 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.798 0.453 18277 3612 1 5 . 1 1 37 37 LEU H H 36 9.826 9.826 8.444 1.382 18277 3613 1 5 . 1 1 38 38 ASP N N 37 122.748 122.748 120.959 1.789 18277 3614 1 5 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.895 0.554 18277 3615 1 5 . 1 1 38 38 ASP C C 37 175.197 175.197 174.936 0.261 18277 3616 1 5 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.864 -0.485 18277 3617 1 5 . 1 1 38 38 ASP CB C 37 42.062 42.062 42.120 -0.058 18277 3618 1 5 . 1 1 38 38 ASP H H 37 8.556 8.556 8.310 0.246 18277 3619 1 5 . 1 1 39 39 VAL N N 38 124.835 124.835 123.270 1.565 18277 3620 1 5 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.812 0.329 18277 3621 1 5 . 1 1 39 39 VAL C C 38 174.081 174.081 175.253 -1.172 18277 3622 1 5 . 1 1 39 39 VAL CA C 38 60.442 60.442 61.044 -0.602 18277 3623 1 5 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.201 2.393 18277 3624 1 5 . 1 1 39 39 VAL H H 38 9.495 9.495 8.227 1.268 18277 3625 1 5 . 1 1 40 40 ARG N N 39 131.221 131.221 125.256 5.965 18277 3626 1 5 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.739 -0.223 18277 3627 1 5 . 1 1 40 40 ARG C C 39 174.144 174.144 176.037 -1.893 18277 3628 1 5 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.622 -0.118 18277 3629 1 5 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.785 -0.666 18277 3630 1 5 . 1 1 40 40 ARG H H 39 9.046 9.046 7.827 1.219 18277 3631 1 5 . 1 1 41 41 LEU N N 40 129.501 129.501 122.875 6.626 18277 3632 1 5 . 1 1 41 41 LEU HA H 40 4.026 4.026 3.941 0.085 18277 3633 1 5 . 1 1 41 41 LEU C C 40 176.934 176.934 176.869 0.065 18277 3634 1 5 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.330 0.533 18277 3635 1 5 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.274 1.474 18277 3636 1 5 . 1 1 41 41 LEU H H 40 7.786 7.786 8.259 -0.473 18277 3637 1 5 . 1 1 42 42 LYS N N 41 112.553 112.553 114.547 -1.994 18277 3638 1 5 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.459 0.235 18277 3639 1 5 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.449 -1.270 18277 3640 1 5 . 1 1 42 42 LYS CB C 41 36.003 36.003 34.930 1.073 18277 3641 1 5 . 1 1 42 42 LYS H H 41 8.313 8.313 7.365 0.948 18277 3642 1 5 . 1 1 43 43 THR HA H 42 3.860 3.860 4.135 -0.275 18277 3643 1 5 . 1 1 43 43 THR C C 42 174.883 174.883 174.263 0.620 18277 3644 1 5 . 1 1 43 43 THR CA C 42 66.494 66.494 65.034 1.460 18277 3645 1 5 . 1 1 43 43 THR CB C 42 68.508 68.508 68.855 -0.347 18277 3646 1 5 . 1 1 44 44 ASP N N 43 114.795 114.795 115.719 -0.924 18277 3647 1 5 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.827 0.002 18277 3648 1 5 . 1 1 44 44 ASP C C 43 176.791 176.791 174.859 1.932 18277 3649 1 5 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.148 -0.227 18277 3650 1 5 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.038 1.032 18277 3651 1 5 . 1 1 44 44 ASP H H 43 7.759 7.759 8.101 -0.342 18277 3652 1 5 . 1 1 45 45 THR N N 44 115.323 115.323 117.145 -1.822 18277 3653 1 5 . 1 1 45 45 THR HA H 44 5.303 5.303 4.869 0.434 18277 3654 1 5 . 1 1 45 45 THR C C 44 171.480 171.480 172.952 -1.472 18277 3655 1 5 . 1 1 45 45 THR CA C 44 62.732 62.732 61.861 0.870 18277 3656 1 5 . 1 1 45 45 THR CB C 44 72.378 72.378 72.564 -0.186 18277 3657 1 5 . 1 1 45 45 THR H H 44 7.551 7.551 8.203 -0.652 18277 3658 1 5 . 1 1 46 46 LEU N N 45 130.323 130.323 127.280 3.043 18277 3659 1 5 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.115 -0.161 18277 3660 1 5 . 1 1 46 46 LEU C C 45 174.048 174.048 174.044 0.004 18277 3661 1 5 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.374 -0.017 18277 3662 1 5 . 1 1 46 46 LEU CB C 45 45.735 45.735 45.727 0.008 18277 3663 1 5 . 1 1 46 46 LEU H H 45 9.590 9.590 8.622 0.968 18277 3664 1 5 . 1 1 47 47 LEU N N 46 127.468 127.468 128.354 -0.886 18277 3665 1 5 . 1 1 47 47 LEU HA H 46 5.150 5.150 4.946 0.204 18277 3666 1 5 . 1 1 47 47 LEU C C 46 173.309 173.309 175.139 -1.830 18277 3667 1 5 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.411 0.176 18277 3668 1 5 . 1 1 47 47 LEU CB C 46 45.122 45.122 42.834 2.288 18277 3669 1 5 . 1 1 47 47 LEU H H 46 9.673 9.673 9.133 0.540 18277 3670 1 5 . 1 1 48 48 GLU N N 47 131.371 131.371 128.204 3.167 18277 3671 1 5 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.495 0.727 18277 3672 1 5 . 1 1 48 48 GLU C C 47 173.970 173.970 174.598 -0.628 18277 3673 1 5 . 1 1 48 48 GLU CA C 47 54.673 54.673 55.937 -1.264 18277 3674 1 5 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.605 1.305 18277 3675 1 5 . 1 1 48 48 GLU H H 47 9.400 9.400 8.343 1.057 18277 3676 1 5 . 1 1 49 49 LEU N N 48 129.742 129.742 127.827 1.915 18277 3677 1 5 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.430 0.557 18277 3678 1 5 . 1 1 49 49 LEU C C 48 174.115 174.115 174.877 -0.762 18277 3679 1 5 . 1 1 49 49 LEU CA C 48 54.673 54.673 53.956 0.717 18277 3680 1 5 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.152 1.486 18277 3681 1 5 . 1 1 49 49 LEU H H 48 9.433 9.433 7.801 1.632 18277 3682 1 5 . 1 1 50 50 HIS N N 49 126.356 126.356 123.516 2.840 18277 3683 1 5 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.631 -0.211 18277 3684 1 5 . 1 1 50 50 HIS C C 49 174.293 174.293 174.358 -0.065 18277 3685 1 5 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.609 2.017 18277 3686 1 5 . 1 1 50 50 HIS CB C 49 33.850 33.850 32.707 1.143 18277 3687 1 5 . 1 1 50 50 HIS H H 49 9.575 9.575 8.976 0.599 18277 3688 1 5 . 1 1 51 51 ILE N N 50 123.679 123.679 124.454 -0.775 18277 3689 1 5 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.967 0.279 18277 3690 1 5 . 1 1 51 51 ILE C C 50 175.021 175.021 174.284 0.737 18277 3691 1 5 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.229 1.363 18277 3692 1 5 . 1 1 51 51 ILE CB C 50 40.771 40.771 40.940 -0.169 18277 3693 1 5 . 1 1 51 51 ILE H H 50 8.991 8.991 8.622 0.369 18277 3694 1 5 . 1 1 52 52 TYR N N 51 126.281 126.281 125.586 0.695 18277 3695 1 5 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.507 -0.036 18277 3696 1 5 . 1 1 52 52 TYR C C 51 171.145 171.145 173.309 -2.164 18277 3697 1 5 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.695 -0.083 18277 3698 1 5 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.813 0.308 18277 3699 1 5 . 1 1 52 52 TYR H H 51 9.189 9.189 7.974 1.215 18277 3700 1 5 . 1 1 53 53 TYR N N 52 120.025 120.025 122.870 -2.845 18277 3701 1 5 . 1 1 53 53 TYR HA H 52 3.807 3.807 3.830 -0.023 18277 3702 1 5 . 1 1 53 53 TYR C C 52 173.874 173.874 174.201 -0.327 18277 3703 1 5 . 1 1 53 53 TYR CA C 52 56.962 56.962 59.164 -2.202 18277 3704 1 5 . 1 1 53 53 TYR CB C 52 39.544 39.544 38.901 0.643 18277 3705 1 5 . 1 1 53 53 TYR H H 52 7.985 7.985 8.941 -0.956 18277 3706 1 5 . 1 1 54 54 ASP N N 53 127.411 127.411 127.195 0.216 18277 3707 1 5 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.700 -0.007 18277 3708 1 5 . 1 1 54 54 ASP C C 53 175.962 175.962 175.380 0.582 18277 3709 1 5 . 1 1 54 54 ASP CA C 53 52.977 52.977 52.213 0.764 18277 3710 1 5 . 1 1 54 54 ASP CB C 53 43.028 43.028 41.551 1.477 18277 3711 1 5 . 1 1 54 54 ASP H H 53 7.449 7.449 7.971 -0.522 18277 3712 1 5 . 1 1 55 55 HIS N N 54 124.486 124.486 124.602 -0.116 18277 3713 1 5 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.180 -0.201 18277 3714 1 5 . 1 1 55 55 HIS C C 54 175.406 175.406 175.618 -0.212 18277 3715 1 5 . 1 1 55 55 HIS CA C 54 58.617 58.617 57.248 1.369 18277 3716 1 5 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.716 1.701 18277 3717 1 5 . 1 1 55 55 HIS H H 54 8.512 8.512 8.745 -0.233 18277 3718 1 5 . 1 1 56 56 VAL N N 55 120.625 120.625 115.370 5.255 18277 3719 1 5 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.807 -0.271 18277 3720 1 5 . 1 1 56 56 VAL C C 55 177.379 177.379 175.497 1.882 18277 3721 1 5 . 1 1 56 56 VAL CA C 55 65.174 65.174 64.563 0.611 18277 3722 1 5 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.947 -0.673 18277 3723 1 5 . 1 1 56 56 VAL H H 55 8.397 8.397 7.535 0.862 18277 3724 1 5 . 1 1 57 57 TYR N N 56 115.771 115.771 115.532 0.239 18277 3725 1 5 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.668 -0.402 18277 3726 1 5 . 1 1 57 57 TYR C C 56 174.645 174.645 175.308 -0.663 18277 3727 1 5 . 1 1 57 57 TYR CA C 56 58.726 58.726 56.922 1.804 18277 3728 1 5 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.859 -0.293 18277 3729 1 5 . 1 1 57 57 TYR H H 56 7.641 7.641 7.204 0.437 18277 3730 1 5 . 1 1 58 58 HIS N N 57 116.177 116.177 114.231 1.946 18277 3731 1 5 . 1 1 58 58 HIS HA H 57 3.747 3.747 3.986 -0.239 18277 3732 1 5 . 1 1 58 58 HIS C C 57 172.860 172.860 173.176 -0.316 18277 3733 1 5 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.609 -0.961 18277 3734 1 5 . 1 1 58 58 HIS CB C 57 25.302 25.302 28.035 -2.733 18277 3735 1 5 . 1 1 58 58 HIS H H 57 7.764 7.764 8.135 -0.371 18277 3736 1 5 . 1 1 59 59 VAL N N 58 104.729 104.729 113.296 -8.567 18277 3737 1 5 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.440 0.260 18277 3738 1 5 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.224 -1.892 18277 3739 1 5 . 1 1 59 59 VAL CB C 58 34.213 34.213 32.519 1.694 18277 3740 1 5 . 1 1 59 59 VAL H H 58 6.310 6.310 7.192 -0.882 18277 3741 1 5 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.142 0.203 18277 3742 1 5 . 1 1 60 60 PRO C C 59 174.254 174.254 175.646 -1.392 18277 3743 1 5 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.894 -0.304 18277 3744 1 5 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.476 -1.700 18277 3745 1 5 . 1 1 61 61 SER N N 60 116.530 116.530 115.250 1.280 18277 3746 1 5 . 1 1 61 61 SER HA H 60 4.899 4.899 4.822 0.077 18277 3747 1 5 . 1 1 61 61 SER CA C 60 57.691 57.691 56.329 1.362 18277 3748 1 5 . 1 1 61 61 SER CB C 60 66.483 66.483 65.998 0.485 18277 3749 1 5 . 1 1 61 61 SER H H 60 8.854 8.854 7.996 0.858 18277 3750 1 5 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.620 1.084 18277 3751 1 5 . 1 1 62 62 ILE C C 61 176.160 176.160 174.202 1.958 18277 3752 1 5 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.256 -1.338 18277 3753 1 5 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.325 0.465 18277 3754 1 5 . 1 1 63 63 LYS N N 62 123.794 123.794 127.881 -4.087 18277 3755 1 5 . 1 1 63 63 LYS HA H 62 5.694 5.694 5.078 0.616 18277 3756 1 5 . 1 1 63 63 LYS C C 62 174.598 174.598 174.304 0.294 18277 3757 1 5 . 1 1 63 63 LYS CA C 62 54.508 54.508 54.542 -0.035 18277 3758 1 5 . 1 1 63 63 LYS CB C 62 35.703 35.703 36.143 -0.440 18277 3759 1 5 . 1 1 63 63 LYS H H 62 9.011 9.011 8.826 0.185 18277 3760 1 5 . 1 1 64 64 PHE N N 63 116.267 116.267 120.596 -4.329 18277 3761 1 5 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.476 0.837 18277 3762 1 5 . 1 1 64 64 PHE C C 63 173.139 173.139 173.782 -0.643 18277 3763 1 5 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.643 0.950 18277 3764 1 5 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.732 0.209 18277 3765 1 5 . 1 1 64 64 PHE H H 63 9.776 9.776 7.560 2.216 18277 3766 1 5 . 1 1 65 65 ARG N N 64 116.428 116.428 119.855 -3.427 18277 3767 1 5 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.736 0.045 18277 3768 1 5 . 1 1 65 65 ARG C C 64 173.867 173.867 174.981 -1.114 18277 3769 1 5 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.615 1.142 18277 3770 1 5 . 1 1 65 65 ARG CB C 64 35.068 35.068 32.582 2.486 18277 3771 1 5 . 1 1 65 65 ARG H H 64 9.257 9.257 8.280 0.977 18277 3772 1 5 . 1 1 66 66 LEU N N 65 121.826 121.826 124.255 -2.429 18277 3773 1 5 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.367 1.082 18277 3774 1 5 . 1 1 66 66 LEU C C 65 174.002 174.002 176.691 -2.689 18277 3775 1 5 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.630 -1.804 18277 3776 1 5 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.818 3.854 18277 3777 1 5 . 1 1 66 66 LEU H H 65 9.041 9.041 8.802 0.239 18277 3778 1 5 . 1 1 67 67 TRP N N 66 120.671 120.671 121.719 -1.048 18277 3779 1 5 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.171 0.152 18277 3780 1 5 . 1 1 67 67 TRP C C 66 175.763 175.763 175.440 0.323 18277 3781 1 5 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.748 -1.666 18277 3782 1 5 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.660 -0.489 18277 3783 1 5 . 1 1 67 67 TRP H H 66 9.366 9.366 8.374 0.992 18277 3784 1 5 . 1 1 68 68 SER N N 67 117.273 117.273 117.792 -0.519 18277 3785 1 5 . 1 1 68 68 SER HA H 67 5.297 5.297 5.114 0.183 18277 3786 1 5 . 1 1 68 68 SER C C 67 174.327 174.327 174.383 -0.056 18277 3787 1 5 . 1 1 68 68 SER CA C 67 56.883 56.883 56.422 0.461 18277 3788 1 5 . 1 1 68 68 SER CB C 67 65.230 65.230 63.651 1.579 18277 3789 1 5 . 1 1 68 68 SER H H 67 9.750 9.750 9.292 0.458 18277 3790 1 5 . 1 1 69 69 LEU N N 68 126.002 126.002 128.987 -2.985 18277 3791 1 5 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.463 0.295 18277 3792 1 5 . 1 1 69 69 LEU C C 68 176.022 176.022 176.045 -0.023 18277 3793 1 5 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.793 -1.414 18277 3794 1 5 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.439 0.932 18277 3795 1 5 . 1 1 69 69 LEU H H 68 8.119 8.119 8.043 0.076 18277 3796 1 5 . 1 1 70 70 ASP N N 69 124.828 124.828 125.031 -0.203 18277 3797 1 5 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.862 -0.081 18277 3798 1 5 . 1 1 70 70 ASP C C 69 176.396 176.396 175.797 0.599 18277 3799 1 5 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.716 0.667 18277 3800 1 5 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.999 -1.008 18277 3801 1 5 . 1 1 70 70 ASP H H 69 8.572 8.572 8.386 0.186 18277 3802 1 5 . 1 1 71 71 THR N N 70 114.913 114.913 114.542 0.371 18277 3803 1 5 . 1 1 71 71 THR HA H 70 4.531 4.531 4.501 0.030 18277 3804 1 5 . 1 1 71 71 THR C C 70 174.451 174.451 174.722 -0.271 18277 3805 1 5 . 1 1 71 71 THR CA C 70 61.742 61.742 61.299 0.443 18277 3806 1 5 . 1 1 71 71 THR CB C 70 69.950 69.950 68.707 1.243 18277 3807 1 5 . 1 1 71 71 THR H H 70 8.403 8.403 8.524 -0.121 18277 3808 1 5 . 1 1 72 72 GLU N N 71 123.605 123.605 121.139 2.466 18277 3809 1 5 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.011 0.231 18277 3810 1 5 . 1 1 72 72 GLU C C 71 176.451 176.451 177.656 -1.205 18277 3811 1 5 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.674 -1.467 18277 3812 1 5 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.659 0.751 18277 3813 1 5 . 1 1 72 72 GLU H H 71 8.542 8.542 8.500 0.042 18277 3814 1 5 . 1 1 73 73 GLU N N 72 119.641 119.641 116.563 3.078 18277 3815 1 5 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.424 -0.313 18277 3816 1 5 . 1 1 73 73 GLU C C 72 175.577 175.577 175.813 -0.236 18277 3817 1 5 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.059 1.038 18277 3818 1 5 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.528 -1.185 18277 3819 1 5 . 1 1 73 73 GLU H H 72 8.503 8.503 8.051 0.452 18277 3820 1 5 . 1 1 74 74 ASP N N 73 117.882 117.882 119.206 -1.324 18277 3821 1 5 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.465 0.106 18277 3822 1 5 . 1 1 74 74 ASP C C 73 176.077 176.077 175.388 0.689 18277 3823 1 5 . 1 1 74 74 ASP CA C 73 54.494 54.494 54.691 -0.197 18277 3824 1 5 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.403 1.535 18277 3825 1 5 . 1 1 74 74 ASP H H 73 8.228 8.228 8.272 -0.044 18277 3826 1 5 . 1 1 75 75 ILE N N 74 120.809 120.809 113.581 7.228 18277 3827 1 5 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.333 -0.124 18277 3828 1 5 . 1 1 75 75 ILE C C 74 175.939 175.939 175.679 0.260 18277 3829 1 5 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.745 0.581 18277 3830 1 5 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.267 0.402 18277 3831 1 5 . 1 1 75 75 ILE H H 74 8.089 8.089 8.041 0.048 18277 3832 1 5 . 1 1 76 76 SER N N 75 119.402 119.402 115.219 4.183 18277 3833 1 5 . 1 1 76 76 SER HA H 75 4.652 4.652 4.264 0.388 18277 3834 1 5 . 1 1 76 76 SER C C 75 174.313 174.313 174.290 0.023 18277 3835 1 5 . 1 1 76 76 SER CA C 75 58.778 58.778 58.754 0.024 18277 3836 1 5 . 1 1 76 76 SER CB C 75 63.860 63.860 62.614 1.246 18277 3837 1 5 . 1 1 76 76 SER H H 75 8.449 8.449 8.061 0.388 18277 3838 1 5 . 1 1 77 77 SER N N 76 118.644 118.644 115.395 3.249 18277 3839 1 5 . 1 1 77 77 SER HA H 76 4.588 4.588 4.453 0.135 18277 3840 1 5 . 1 1 77 77 SER C C 76 173.094 173.094 173.054 0.040 18277 3841 1 5 . 1 1 77 77 SER CA C 76 57.772 57.772 58.215 -0.443 18277 3842 1 5 . 1 1 77 77 SER CB C 76 64.461 64.461 64.114 0.347 18277 3843 1 5 . 1 1 77 77 SER H H 76 8.280 8.280 7.743 0.537 18277 3844 1 5 . 1 1 78 78 LEU N N 77 123.896 123.896 113.718 10.178 18277 3845 1 5 . 1 1 78 78 LEU HA H 77 4.998 4.998 4.865 0.133 18277 3846 1 5 . 1 1 78 78 LEU C C 77 177.081 177.081 175.042 2.039 18277 3847 1 5 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.710 0.298 18277 3848 1 5 . 1 1 78 78 LEU CB C 77 44.021 44.021 44.570 -0.549 18277 3849 1 5 . 1 1 78 78 LEU H H 77 7.981 7.981 8.172 -0.191 18277 3850 1 5 . 1 1 79 79 ARG N N 78 123.195 123.195 120.202 2.993 18277 3851 1 5 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.863 0.096 18277 3852 1 5 . 1 1 79 79 ARG C C 78 174.994 174.994 174.632 0.362 18277 3853 1 5 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.224 -0.560 18277 3854 1 5 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.485 -0.205 18277 3855 1 5 . 1 1 79 79 ARG H H 78 9.013 9.013 8.548 0.465 18277 3856 1 5 . 1 1 80 80 LEU N N 79 128.388 128.388 125.912 2.476 18277 3857 1 5 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.861 -0.083 18277 3858 1 5 . 1 1 80 80 LEU C C 79 177.216 177.216 175.539 1.677 18277 3859 1 5 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.337 0.712 18277 3860 1 5 . 1 1 80 80 LEU CB C 79 42.285 42.285 41.621 0.664 18277 3861 1 5 . 1 1 80 80 LEU H H 79 8.807 8.807 8.641 0.166 18277 3862 1 5 . 1 1 81 81 LEU N N 80 127.521 127.521 127.398 0.123 18277 3863 1 5 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.570 -0.007 18277 3864 1 5 . 1 1 81 81 LEU C C 80 176.354 176.354 176.386 -0.032 18277 3865 1 5 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.504 -0.343 18277 3866 1 5 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.454 -0.044 18277 3867 1 5 . 1 1 81 81 LEU H H 80 8.478 8.478 8.288 0.190 18277 3868 1 5 . 1 1 82 82 THR N N 81 121.108 121.108 118.688 2.420 18277 3869 1 5 . 1 1 82 82 THR HA H 81 4.391 4.391 4.650 -0.259 18277 3870 1 5 . 1 1 82 82 THR C C 81 173.678 173.678 174.070 -0.392 18277 3871 1 5 . 1 1 82 82 THR CA C 81 61.112 61.112 61.894 -0.782 18277 3872 1 5 . 1 1 82 82 THR CB C 81 68.941 68.941 68.635 0.306 18277 3873 1 5 . 1 1 82 82 THR H H 81 8.735 8.735 8.398 0.337 18277 3874 1 5 . 1 1 83 83 LEU N N 82 125.276 125.276 123.582 1.694 18277 3875 1 5 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.953 -0.182 18277 3876 1 5 . 1 1 83 83 LEU C C 82 177.192 177.192 176.233 0.959 18277 3877 1 5 . 1 1 83 83 LEU CA C 82 53.414 53.414 52.414 1.000 18277 3878 1 5 . 1 1 83 83 LEU CB C 82 44.525 44.525 43.364 1.161 18277 3879 1 5 . 1 1 83 83 LEU H H 82 7.985 7.985 7.746 0.239 18277 3880 1 5 . 1 1 84 84 SER N N 83 118.590 118.590 115.473 3.117 18277 3881 1 5 . 1 1 84 84 SER HA H 83 4.591 4.591 4.375 0.216 18277 3882 1 5 . 1 1 84 84 SER C C 83 174.317 174.317 175.222 -0.905 18277 3883 1 5 . 1 1 84 84 SER CA C 83 57.202 57.202 58.749 -1.547 18277 3884 1 5 . 1 1 84 84 SER CB C 83 65.345 65.345 63.916 1.429 18277 3885 1 5 . 1 1 84 84 SER H H 83 9.214 9.214 8.291 0.923 18277 3886 1 5 . 1 1 85 85 ASP N N 84 121.149 121.149 120.875 0.274 18277 3887 1 5 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.652 -0.309 18277 3888 1 5 . 1 1 85 85 ASP C C 84 178.027 178.027 178.233 -0.206 18277 3889 1 5 . 1 1 85 85 ASP CA C 84 58.791 58.791 56.719 2.072 18277 3890 1 5 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.470 1.516 18277 3891 1 5 . 1 1 85 85 ASP H H 84 9.014 9.014 8.928 0.086 18277 3892 1 5 . 1 1 86 86 SER N N 85 111.874 111.874 115.105 -3.231 18277 3893 1 5 . 1 1 86 86 SER HA H 85 4.110 4.110 4.324 -0.214 18277 3894 1 5 . 1 1 86 86 SER C C 85 177.696 177.696 175.863 1.833 18277 3895 1 5 . 1 1 86 86 SER CA C 85 61.560 61.560 61.121 0.439 18277 3896 1 5 . 1 1 86 86 SER CB C 85 62.355 62.355 62.874 -0.519 18277 3897 1 5 . 1 1 86 86 SER H H 85 8.467 8.467 8.268 0.199 18277 3898 1 5 . 1 1 87 87 GLU N N 86 122.948 122.948 119.355 3.593 18277 3899 1 5 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.199 -0.122 18277 3900 1 5 . 1 1 87 87 GLU C C 86 180.335 180.335 178.966 1.369 18277 3901 1 5 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.515 0.521 18277 3902 1 5 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.534 1.285 18277 3903 1 5 . 1 1 87 87 GLU H H 86 7.660 7.660 8.351 -0.691 18277 3904 1 5 . 1 1 88 88 LEU N N 87 122.341 122.341 122.388 -0.047 18277 3905 1 5 . 1 1 88 88 LEU HA H 87 3.883 3.883 3.983 -0.100 18277 3906 1 5 . 1 1 88 88 LEU C C 87 178.818 178.818 178.507 0.311 18277 3907 1 5 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.926 0.148 18277 3908 1 5 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.895 0.476 18277 3909 1 5 . 1 1 88 88 LEU H H 87 8.878 8.878 7.916 0.962 18277 3910 1 5 . 1 1 89 89 ARG N N 88 115.874 115.874 118.307 -2.433 18277 3911 1 5 . 1 1 89 89 ARG HA H 88 4.126 4.126 3.913 0.213 18277 3912 1 5 . 1 1 89 89 ARG C C 88 176.552 176.552 177.803 -1.251 18277 3913 1 5 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.359 0.361 18277 3914 1 5 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.313 0.472 18277 3915 1 5 . 1 1 89 89 ARG H H 88 7.956 7.956 8.502 -0.546 18277 3916 1 5 . 1 1 90 90 SER N N 89 112.295 112.295 114.081 -1.786 18277 3917 1 5 . 1 1 90 90 SER HA H 89 4.565 4.565 4.308 0.257 18277 3918 1 5 . 1 1 90 90 SER C C 89 174.817 174.817 175.531 -0.714 18277 3919 1 5 . 1 1 90 90 SER CA C 89 60.043 60.043 60.913 -0.869 18277 3920 1 5 . 1 1 90 90 SER CB C 89 63.858 63.858 63.329 0.529 18277 3921 1 5 . 1 1 90 90 SER H H 89 7.481 7.481 7.845 -0.364 18277 3922 1 5 . 1 1 91 91 ILE N N 90 116.577 116.577 113.480 3.097 18277 3923 1 5 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.335 0.103 18277 3924 1 5 . 1 1 91 91 ILE C C 90 174.636 174.636 175.202 -0.566 18277 3925 1 5 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.608 0.654 18277 3926 1 5 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.748 1.861 18277 3927 1 5 . 1 1 91 91 ILE H H 90 7.372 7.372 7.870 -0.498 18277 3928 1 5 . 1 1 92 92 LEU N N 91 119.723 119.723 118.517 1.206 18277 3929 1 5 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.477 0.164 18277 3930 1 5 . 1 1 92 92 LEU C C 91 175.178 175.178 176.141 -0.963 18277 3931 1 5 . 1 1 92 92 LEU CA C 91 52.813 52.813 53.821 -1.008 18277 3932 1 5 . 1 1 92 92 LEU CB C 91 43.673 43.673 43.003 0.670 18277 3933 1 5 . 1 1 92 92 LEU H H 91 7.900 7.900 7.563 0.337 18277 3934 1 5 . 1 1 93 93 ASN N N 92 119.687 119.687 118.087 1.600 18277 3935 1 5 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.840 0.143 18277 3936 1 5 . 1 1 93 93 ASN C C 92 174.978 174.978 174.396 0.582 18277 3937 1 5 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.261 -0.890 18277 3938 1 5 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.902 -2.171 18277 3939 1 5 . 1 1 93 93 ASN H H 92 8.916 8.916 8.337 0.579 18277 3940 1 5 . 1 1 94 94 LEU N N 93 121.052 121.052 124.754 -3.702 18277 3941 1 5 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.340 -0.394 18277 3942 1 5 . 1 1 94 94 LEU C C 93 177.367 177.367 178.799 -1.432 18277 3943 1 5 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.752 0.299 18277 3944 1 5 . 1 1 94 94 LEU CB C 93 42.772 42.772 41.500 1.272 18277 3945 1 5 . 1 1 94 94 LEU H H 93 8.172 8.172 8.725 -0.553 18277 3946 1 5 . 1 1 95 95 GLY N N 94 105.340 105.340 108.918 -3.578 18277 3947 1 5 . 1 1 95 95 GLY C C 94 176.133 176.133 175.454 0.679 18277 3948 1 5 . 1 1 95 95 GLY CA C 94 47.349 47.349 46.976 0.373 18277 3949 1 5 . 1 1 95 95 GLY H H 94 8.281 8.281 8.344 -0.063 18277 3950 1 5 . 1 1 96 96 THR N N 95 117.040 117.040 117.142 -0.102 18277 3951 1 5 . 1 1 96 96 THR HA H 95 4.242 4.242 4.604 -0.362 18277 3952 1 5 . 1 1 96 96 THR C C 95 175.349 175.349 173.948 1.401 18277 3953 1 5 . 1 1 96 96 THR CA C 95 61.859 61.859 60.877 0.983 18277 3954 1 5 . 1 1 96 96 THR CB C 95 68.399 68.399 69.551 -1.152 18277 3955 1 5 . 1 1 96 96 THR H H 95 8.419 8.419 8.087 0.332 18277 3956 1 5 . 1 1 97 97 PHE N N 96 122.590 122.590 121.478 1.112 18277 3957 1 5 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.634 0.088 18277 3958 1 5 . 1 1 97 97 PHE C C 96 174.704 174.704 175.070 -0.366 18277 3959 1 5 . 1 1 97 97 PHE CA C 96 58.599 58.599 57.677 0.922 18277 3960 1 5 . 1 1 97 97 PHE CB C 96 39.149 39.149 41.450 -2.301 18277 3961 1 5 . 1 1 97 97 PHE H H 96 8.517 8.517 8.111 0.406 18277 3962 1 5 . 1 1 98 98 SER N N 97 114.201 114.201 113.836 0.365 18277 3963 1 5 . 1 1 98 98 SER HA H 97 4.859 4.859 4.724 0.135 18277 3964 1 5 . 1 1 98 98 SER C C 97 173.002 173.002 172.413 0.589 18277 3965 1 5 . 1 1 98 98 SER CA C 97 57.346 57.346 57.492 -0.146 18277 3966 1 5 . 1 1 98 98 SER CB C 97 65.739 65.739 65.001 0.738 18277 3967 1 5 . 1 1 98 98 SER H H 97 9.129 9.129 8.499 0.630 18277 3968 1 5 . 1 1 99 99 VAL N N 98 120.191 120.191 119.684 0.507 18277 3969 1 5 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.614 0.905 18277 3970 1 5 . 1 1 99 99 VAL C C 98 175.574 175.574 174.235 1.339 18277 3971 1 5 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.059 -0.670 18277 3972 1 5 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.132 0.294 18277 3973 1 5 . 1 1 99 99 VAL H H 98 8.655 8.655 8.726 -0.071 18277 3974 1 5 . 1 1 100 100 THR N N 99 120.623 120.623 119.982 0.641 18277 3975 1 5 . 1 1 100 100 THR HA H 99 4.729 4.729 4.710 0.019 18277 3976 1 5 . 1 1 100 100 THR C C 99 172.605 172.605 172.593 0.012 18277 3977 1 5 . 1 1 100 100 THR CA C 99 61.114 61.114 61.736 -0.622 18277 3978 1 5 . 1 1 100 100 THR CB C 99 71.850 71.850 70.278 1.572 18277 3979 1 5 . 1 1 100 100 THR H H 99 8.997 8.997 8.646 0.351 18277 3980 1 5 . 1 1 101 101 LEU N N 100 127.613 127.613 129.451 -1.838 18277 3981 1 5 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.066 -0.117 18277 3982 1 5 . 1 1 101 101 LEU C C 100 176.666 176.666 175.740 0.926 18277 3983 1 5 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.692 0.997 18277 3984 1 5 . 1 1 101 101 LEU CB C 100 43.166 43.166 42.979 0.187 18277 3985 1 5 . 1 1 101 101 LEU H H 100 8.766 8.766 8.530 0.236 18277 3986 1 5 . 1 1 102 102 SER N N 101 119.771 119.771 121.877 -2.106 18277 3987 1 5 . 1 1 102 102 SER HA H 101 4.749 4.749 4.843 -0.094 18277 3988 1 5 . 1 1 102 102 SER C C 101 173.477 173.477 172.946 0.531 18277 3989 1 5 . 1 1 102 102 SER CA C 101 57.514 57.514 56.759 0.755 18277 3990 1 5 . 1 1 102 102 SER CB C 101 65.024 65.024 65.501 -0.477 18277 3991 1 5 . 1 1 102 102 SER H H 101 8.926 8.926 8.493 0.433 18277 3992 1 5 . 1 1 103 103 THR N N 102 117.853 117.853 121.590 -3.737 18277 3993 1 5 . 1 1 103 103 THR HA H 102 4.618 4.618 5.025 -0.407 18277 3994 1 5 . 1 1 103 103 THR C C 102 174.020 174.020 173.745 0.275 18277 3995 1 5 . 1 1 103 103 THR CA C 102 61.991 61.991 61.219 0.772 18277 3996 1 5 . 1 1 103 103 THR CB C 102 69.972 69.972 71.820 -1.848 18277 3997 1 5 . 1 1 103 103 THR H H 102 8.409 8.409 8.455 -0.046 18277 3998 1 5 . 1 1 104 104 ASP N N 103 125.295 125.295 123.757 1.538 18277 3999 1 5 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.898 -0.190 18277 4000 1 5 . 1 1 104 104 ASP C C 103 176.908 176.908 178.444 -1.536 18277 4001 1 5 . 1 1 104 104 ASP CA C 103 53.559 53.559 52.892 0.667 18277 4002 1 5 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.722 -0.477 18277 4003 1 5 . 1 1 104 104 ASP H H 103 8.598 8.598 8.326 0.272 18277 4004 1 5 . 1 1 105 105 MET N N 104 122.470 122.470 121.168 1.302 18277 4005 1 5 . 1 1 105 105 MET HA H 104 4.270 4.270 4.287 -0.017 18277 4006 1 5 . 1 1 105 105 MET C C 104 177.354 177.354 176.310 1.044 18277 4007 1 5 . 1 1 105 105 MET CA C 104 57.300 57.300 57.983 -0.683 18277 4008 1 5 . 1 1 105 105 MET CB C 104 32.108 32.108 32.279 -0.171 18277 4009 1 5 . 1 1 105 105 MET H H 104 8.719 8.719 8.642 0.077 18277 4010 1 5 . 1 1 106 106 GLU N N 105 118.752 118.752 117.669 1.083 18277 4011 1 5 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.295 -0.059 18277 4012 1 5 . 1 1 106 106 GLU C C 105 177.172 177.172 176.329 0.843 18277 4013 1 5 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.252 1.477 18277 4014 1 5 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.380 0.396 18277 4015 1 5 . 1 1 106 106 GLU H H 105 8.306 8.306 7.776 0.530 18277 4016 1 5 . 1 1 107 107 MET N N 106 116.736 116.736 115.452 1.284 18277 4017 1 5 . 1 1 107 107 MET HA H 106 4.329 4.329 4.111 0.218 18277 4018 1 5 . 1 1 107 107 MET C C 106 176.319 176.319 175.332 0.987 18277 4019 1 5 . 1 1 107 107 MET CA C 106 55.514 55.514 56.587 -1.073 18277 4020 1 5 . 1 1 107 107 MET CB C 106 31.566 31.566 31.568 -0.002 18277 4021 1 5 . 1 1 107 107 MET H H 106 8.206 8.206 7.965 0.241 18277 4022 1 5 . 1 1 108 108 LYS N N 107 117.661 117.661 116.762 0.899 18277 4023 1 5 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.300 -0.214 18277 4024 1 5 . 1 1 108 108 LYS C C 107 176.049 176.049 175.698 0.351 18277 4025 1 5 . 1 1 108 108 LYS CA C 107 57.100 57.100 57.297 -0.197 18277 4026 1 5 . 1 1 108 108 LYS CB C 107 30.890 30.890 33.079 -2.189 18277 4027 1 5 . 1 1 108 108 LYS H H 107 8.382 8.382 8.031 0.351 18277 4028 1 5 . 1 1 109 109 SER N N 108 113.019 113.019 116.734 -3.715 18277 4029 1 5 . 1 1 109 109 SER HA H 108 4.566 4.566 4.566 -0.000 18277 4030 1 5 . 1 1 109 109 SER C C 108 172.969 172.969 172.337 0.632 18277 4031 1 5 . 1 1 109 109 SER CA C 108 56.997 56.997 57.392 -0.395 18277 4032 1 5 . 1 1 109 109 SER CB C 108 65.035 65.035 64.665 0.370 18277 4033 1 5 . 1 1 109 109 SER H H 108 7.892 7.892 7.772 0.120 18277 4034 1 5 . 1 1 110 110 VAL N N 109 121.915 121.915 121.880 0.035 18277 4035 1 5 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.922 -0.520 18277 4036 1 5 . 1 1 110 110 VAL C C 109 174.706 174.706 173.970 0.736 18277 4037 1 5 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.356 1.618 18277 4038 1 5 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.927 -2.847 18277 4039 1 5 . 1 1 110 110 VAL H H 109 7.878 7.878 7.896 -0.018 18277 4040 1 5 . 1 1 111 111 TYR N N 110 122.247 122.247 117.753 4.494 18277 4041 1 5 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.689 -0.353 18277 4042 1 5 . 1 1 111 111 TYR C C 110 173.915 173.915 173.627 0.288 18277 4043 1 5 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.641 1.622 18277 4044 1 5 . 1 1 111 111 TYR CB C 110 43.222 43.222 40.709 2.514 18277 4045 1 5 . 1 1 111 111 TYR H H 110 8.317 8.317 8.223 0.094 18277 4046 1 5 . 1 1 112 112 TYR N N 111 117.096 117.096 118.069 -0.973 18277 4047 1 5 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.615 0.254 18277 4048 1 5 . 1 1 112 112 TYR C C 111 175.418 175.418 174.401 1.017 18277 4049 1 5 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.554 0.629 18277 4050 1 5 . 1 1 112 112 TYR CB C 111 38.681 38.681 37.460 1.221 18277 4051 1 5 . 1 1 112 112 TYR H H 111 8.690 8.690 8.579 0.110 18277 4052 1 5 . 1 1 113 113 TYR N N 112 120.208 120.208 121.447 -1.239 18277 4053 1 5 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.903 0.036 18277 4054 1 5 . 1 1 113 113 TYR C C 112 176.674 176.674 177.261 -0.587 18277 4055 1 5 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.611 -1.044 18277 4056 1 5 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.048 2.876 18277 4057 1 5 . 1 1 113 113 TYR H H 112 9.374 9.374 8.977 0.397 18277 4058 1 5 . 1 1 114 114 ILE N N 113 121.490 121.490 125.757 -4.267 18277 4059 1 5 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.013 0.808 18277 4060 1 5 . 1 1 114 114 ILE C C 113 176.329 176.329 176.419 -0.090 18277 4061 1 5 . 1 1 114 114 ILE CA C 113 60.039 60.039 63.099 -3.060 18277 4062 1 5 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.386 -1.421 18277 4063 1 5 . 1 1 114 114 ILE H H 113 8.076 8.076 9.093 -1.017 18277 4064 1 5 . 1 1 115 115 ASN N N 114 129.212 129.212 125.632 3.580 18277 4065 1 5 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.630 0.071 18277 4066 1 5 . 1 1 115 115 ASN C C 114 175.914 175.914 174.469 1.445 18277 4067 1 5 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.497 0.525 18277 4068 1 5 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.758 -0.209 18277 4069 1 5 . 1 1 115 115 ASN H H 114 8.959 8.959 8.409 0.550 18277 4070 1 5 . 1 1 116 116 ASN N N 115 121.613 121.613 123.861 -2.248 18277 4071 1 5 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.249 -0.380 18277 4072 1 5 . 1 1 116 116 ASN C C 115 178.040 178.040 175.006 3.034 18277 4073 1 5 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.569 0.211 18277 4074 1 5 . 1 1 116 116 ASN CB C 115 39.096 39.096 39.482 -0.386 18277 4075 1 5 . 1 1 116 116 ASN H H 115 8.464 8.464 8.560 -0.096 18277 4076 1 5 . 1 1 117 117 CYS N N 116 120.777 120.777 120.708 0.069 18277 4077 1 5 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.707 0.037 18277 4078 1 5 . 1 1 117 117 CYS C C 116 174.635 174.635 174.052 0.583 18277 4079 1 5 . 1 1 117 117 CYS CA C 116 60.087 60.087 58.919 1.168 18277 4080 1 5 . 1 1 117 117 CYS CB C 116 27.456 27.456 28.273 -0.817 18277 4081 1 5 . 1 1 117 117 CYS H H 116 8.256 8.256 8.308 -0.052 18277 4082 1 5 . 1 1 118 118 ASP N N 117 119.926 119.926 121.515 -1.589 18277 4083 1 5 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.672 0.227 18277 4084 1 5 . 1 1 118 118 ASP C C 117 176.225 176.225 176.089 0.136 18277 4085 1 5 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.144 0.266 18277 4086 1 5 . 1 1 118 118 ASP CB C 117 40.174 40.174 38.379 1.795 18277 4087 1 5 . 1 1 118 118 ASP H H 117 8.420 8.420 8.398 0.022 18277 4088 1 5 . 1 1 119 119 THR N N 118 116.185 116.185 116.377 -0.192 18277 4089 1 5 . 1 1 119 119 THR HA H 118 4.315 4.315 4.259 0.056 18277 4090 1 5 . 1 1 119 119 THR C C 118 175.349 175.349 175.793 -0.444 18277 4091 1 5 . 1 1 119 119 THR CA C 118 66.029 66.029 66.962 -0.933 18277 4092 1 5 . 1 1 119 119 THR CB C 118 69.654 69.654 69.198 0.456 18277 4093 1 5 . 1 1 119 119 THR H H 118 7.712 7.712 7.745 -0.033 18277 4094 1 5 . 1 1 120 120 ASP N N 119 120.938 120.938 120.571 0.367 18277 4095 1 5 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.706 -0.173 18277 4096 1 5 . 1 1 120 120 ASP C C 119 177.991 177.991 177.250 0.741 18277 4097 1 5 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.240 -0.334 18277 4098 1 5 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.189 0.748 18277 4099 1 5 . 1 1 120 120 ASP H H 119 8.730 8.730 8.881 -0.151 18277 4100 1 5 . 1 1 121 121 ALA N N 120 122.818 122.818 119.136 3.682 18277 4101 1 5 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.281 -0.103 18277 4102 1 5 . 1 1 121 121 ALA C C 120 178.787 178.787 178.360 0.427 18277 4103 1 5 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.602 0.289 18277 4104 1 5 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.885 -0.414 18277 4105 1 5 . 1 1 121 121 ALA H H 120 8.033 8.033 8.135 -0.102 18277 4106 1 5 . 1 1 122 122 ASN N N 121 116.085 116.085 116.921 -0.836 18277 4107 1 5 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.601 0.033 18277 4108 1 5 . 1 1 122 122 ASN C C 121 176.235 176.235 176.795 -0.560 18277 4109 1 5 . 1 1 122 122 ASN CA C 121 54.496 54.496 55.458 -0.962 18277 4110 1 5 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.391 -0.502 18277 4111 1 5 . 1 1 122 122 ASN H H 121 8.128 8.128 7.841 0.287 18277 4112 1 5 . 1 1 123 123 VAL N N 122 117.803 117.803 118.181 -0.378 18277 4113 1 5 . 1 1 123 123 VAL HA H 122 3.962 3.962 4.154 -0.192 18277 4114 1 5 . 1 1 123 123 VAL C C 122 176.973 176.973 175.886 1.087 18277 4115 1 5 . 1 1 123 123 VAL CA C 122 63.916 63.916 63.042 0.874 18277 4116 1 5 . 1 1 123 123 VAL CB C 122 32.895 32.895 33.197 -0.302 18277 4117 1 5 . 1 1 123 123 VAL H H 122 8.262 8.262 8.171 0.091 18277 4118 1 5 . 1 1 124 124 GLY N N 123 110.472 110.472 109.703 0.769 18277 4119 1 5 . 1 1 124 124 GLY C C 123 174.107 174.107 174.417 -0.310 18277 4120 1 5 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.435 -1.034 18277 4121 1 5 . 1 1 124 124 GLY H H 123 8.172 8.172 7.935 0.237 18277 4122 1 5 . 1 1 125 125 SER N N 124 113.065 113.065 116.508 -3.443 18277 4123 1 5 . 1 1 125 125 SER HA H 124 4.529 4.529 4.467 0.062 18277 4124 1 5 . 1 1 125 125 SER C C 124 174.664 174.664 174.235 0.429 18277 4125 1 5 . 1 1 125 125 SER CA C 124 58.981 58.981 59.041 -0.060 18277 4126 1 5 . 1 1 125 125 SER CB C 124 64.492 64.492 64.739 -0.247 18277 4127 1 5 . 1 1 125 125 SER H H 124 8.139 8.139 8.189 -0.050 18277 4128 1 5 . 1 1 126 126 ASP N N 125 121.312 121.312 119.014 2.298 18277 4129 1 5 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.936 -0.229 18277 4130 1 5 . 1 1 126 126 ASP C C 125 177.029 177.029 176.256 0.773 18277 4131 1 5 . 1 1 126 126 ASP CA C 125 54.232 54.232 53.591 0.641 18277 4132 1 5 . 1 1 126 126 ASP CB C 125 40.878 40.878 42.653 -1.775 18277 4133 1 5 . 1 1 126 126 ASP H H 125 8.146 8.146 8.016 0.130 18277 4134 1 5 . 1 1 127 127 VAL N N 126 123.444 123.444 119.320 4.124 18277 4135 1 5 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.807 0.019 18277 4136 1 5 . 1 1 127 127 VAL C C 126 177.304 177.304 177.796 -0.492 18277 4137 1 5 . 1 1 127 127 VAL CA C 126 65.899 65.899 65.650 0.250 18277 4138 1 5 . 1 1 127 127 VAL CB C 126 32.222 32.222 32.061 0.161 18277 4139 1 5 . 1 1 127 127 VAL H H 126 8.474 8.474 8.730 -0.256 18277 4140 1 5 . 1 1 128 128 GLU N N 127 120.874 120.874 119.741 1.133 18277 4141 1 5 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.200 -0.267 18277 4142 1 5 . 1 1 128 128 GLU CA C 127 58.660 58.660 59.391 -0.730 18277 4143 1 5 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.651 -0.570 18277 4144 1 5 . 1 1 128 128 GLU H H 127 8.504 8.504 8.678 -0.174 18277 4145 1 5 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.949 -0.200 18277 4146 1 5 . 1 1 129 129 HIS C C 128 174.898 174.898 174.404 0.494 18277 4147 1 5 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.349 2.099 18277 4148 1 5 . 1 1 129 129 HIS CB C 128 29.045 29.045 29.608 -0.563 18277 4149 1 5 . 1 1 130 130 TYR N N 129 122.615 122.615 122.574 0.041 18277 4150 1 5 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.386 -0.386 18277 4151 1 5 . 1 1 130 130 TYR C C 129 178.544 178.544 176.922 1.622 18277 4152 1 5 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.749 0.359 18277 4153 1 5 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.842 0.700 18277 4154 1 5 . 1 1 130 130 TYR H H 129 8.118 8.118 7.777 0.341 18277 4155 1 5 . 1 1 131 131 LEU N N 130 116.037 116.037 117.648 -1.611 18277 4156 1 5 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.312 0.037 18277 4157 1 5 . 1 1 131 131 LEU C C 130 179.368 179.368 179.287 0.081 18277 4158 1 5 . 1 1 131 131 LEU CA C 130 58.816 58.816 58.023 0.793 18277 4159 1 5 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.639 0.730 18277 4160 1 5 . 1 1 131 131 LEU H H 130 9.092 9.092 8.569 0.523 18277 4161 1 5 . 1 1 132 132 THR N N 131 113.629 113.629 112.611 1.018 18277 4162 1 5 . 1 1 132 132 THR HA H 131 4.007 4.007 4.275 -0.268 18277 4163 1 5 . 1 1 132 132 THR C C 131 177.255 177.255 176.447 0.808 18277 4164 1 5 . 1 1 132 132 THR CA C 131 66.505 66.505 65.841 0.664 18277 4165 1 5 . 1 1 132 132 THR CB C 131 68.052 68.052 69.053 -1.001 18277 4166 1 5 . 1 1 132 132 THR H H 131 8.129 8.129 8.089 0.040 18277 4167 1 5 . 1 1 133 133 ARG N N 132 124.720 124.720 121.384 3.336 18277 4168 1 5 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.162 -0.046 18277 4169 1 5 . 1 1 133 133 ARG C C 132 178.921 178.921 178.329 0.592 18277 4170 1 5 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.749 1.288 18277 4171 1 5 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.150 0.124 18277 4172 1 5 . 1 1 133 133 ARG H H 132 8.187 8.187 7.845 0.342 18277 4173 1 5 . 1 1 134 134 TRP N N 133 120.307 120.307 120.726 -0.419 18277 4174 1 5 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.561 -0.334 18277 4175 1 5 . 1 1 134 134 TRP C C 133 177.823 177.823 177.499 0.324 18277 4176 1 5 . 1 1 134 134 TRP CA C 133 62.470 62.470 60.423 2.046 18277 4177 1 5 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.129 -1.374 18277 4178 1 5 . 1 1 134 134 TRP H H 133 9.167 9.167 8.269 0.898 18277 4179 1 5 . 1 1 135 135 ILE N N 134 117.595 117.595 120.996 -3.401 18277 4180 1 5 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.200 0.383 18277 4181 1 5 . 1 1 135 135 ILE C C 134 176.333 176.333 177.713 -1.380 18277 4182 1 5 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.970 -3.262 18277 4183 1 5 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.157 -1.024 18277 4184 1 5 . 1 1 135 135 ILE H H 134 9.000 9.000 8.131 0.869 18277 4185 1 5 . 1 1 136 136 SER N N 135 116.548 116.548 113.950 2.598 18277 4186 1 5 . 1 1 136 136 SER HA H 135 3.931 3.931 4.192 -0.261 18277 4187 1 5 . 1 1 136 136 SER C C 135 174.339 174.339 176.261 -1.922 18277 4188 1 5 . 1 1 136 136 SER CA C 135 62.535 62.535 61.324 1.211 18277 4189 1 5 . 1 1 136 136 SER CB C 135 62.820 62.820 63.096 -0.276 18277 4190 1 5 . 1 1 136 136 SER H H 135 7.592 7.592 8.146 -0.554 18277 4191 1 5 . 1 1 137 137 LEU N N 136 119.693 119.693 120.384 -0.691 18277 4192 1 5 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.209 -0.012 18277 4193 1 5 . 1 1 137 137 LEU C C 136 178.376 178.376 177.161 1.215 18277 4194 1 5 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.962 0.154 18277 4195 1 5 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.564 0.424 18277 4196 1 5 . 1 1 137 137 LEU H H 136 7.247 7.247 7.648 -0.401 18277 4197 1 5 . 1 1 138 138 TYR N N 137 116.295 116.295 115.631 0.664 18277 4198 1 5 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.247 -0.603 18277 4199 1 5 . 1 1 138 138 TYR C C 137 178.142 178.142 177.409 0.733 18277 4200 1 5 . 1 1 138 138 TYR CA C 137 61.396 61.396 60.052 1.344 18277 4201 1 5 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.672 -0.765 18277 4202 1 5 . 1 1 138 138 TYR H H 137 8.057 8.057 7.789 0.268 18277 4203 1 5 . 1 1 139 139 ILE N N 138 117.755 117.755 121.437 -3.682 18277 4204 1 5 . 1 1 139 139 ILE HA H 138 3.818 3.818 3.893 -0.075 18277 4205 1 5 . 1 1 139 139 ILE C C 138 176.943 176.943 176.391 0.552 18277 4206 1 5 . 1 1 139 139 ILE CA C 138 61.684 61.684 61.136 0.548 18277 4207 1 5 . 1 1 139 139 ILE CB C 138 36.768 36.768 37.756 -0.988 18277 4208 1 5 . 1 1 139 139 ILE H H 138 8.371 8.371 8.394 -0.023 18277 4209 1 5 . 1 1 140 140 ARG N N 139 118.103 118.103 117.044 1.059 18277 4210 1 5 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.283 -0.208 18277 4211 1 5 . 1 1 140 140 ARG C C 139 176.776 176.776 176.045 0.731 18277 4212 1 5 . 1 1 140 140 ARG CA C 139 57.529 57.529 57.995 -0.466 18277 4213 1 5 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.795 0.046 18277 4214 1 5 . 1 1 140 140 ARG H H 139 6.762 6.762 7.921 -1.159 18277 4215 1 5 . 1 1 141 141 ILE N N 140 117.603 117.603 116.394 1.209 18277 4216 1 5 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.975 -0.204 18277 4217 1 5 . 1 1 141 141 ILE C C 140 176.448 176.448 175.979 0.469 18277 4218 1 5 . 1 1 141 141 ILE CA C 140 63.370 63.370 62.003 1.367 18277 4219 1 5 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.851 0.968 18277 4220 1 5 . 1 1 141 141 ILE H H 140 7.056 7.056 6.952 0.104 18277 4221 1 5 . 1 1 142 142 PHE N N 141 114.969 114.969 118.357 -3.388 18277 4222 1 5 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.522 -0.128 18277 4223 1 5 . 1 1 142 142 PHE C C 141 175.503 175.503 175.130 0.373 18277 4224 1 5 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.872 -0.746 18277 4225 1 5 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.790 -1.352 18277 4226 1 5 . 1 1 142 142 PHE H H 141 7.287 7.287 7.810 -0.523 18277 4227 1 5 . 1 1 143 143 ASP N N 142 116.492 116.492 119.203 -2.711 18277 4228 1 5 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.848 -0.103 18277 4229 1 5 . 1 1 143 143 ASP C C 142 175.131 175.131 175.895 -0.764 18277 4230 1 5 . 1 1 143 143 ASP CA C 142 54.013 54.013 52.871 1.142 18277 4231 1 5 . 1 1 143 143 ASP CB C 142 42.996 42.996 41.951 1.045 18277 4232 1 5 . 1 1 143 143 ASP H H 142 7.697 7.697 8.277 -0.580 18277 4233 1 5 . 1 1 144 144 LEU N N 143 126.435 126.435 122.564 3.871 18277 4234 1 5 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.253 -0.067 18277 4235 1 5 . 1 1 144 144 LEU C C 143 177.297 177.297 176.926 0.371 18277 4236 1 5 . 1 1 144 144 LEU CA C 143 56.940 56.940 56.411 0.529 18277 4237 1 5 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.974 0.635 18277 4238 1 5 . 1 1 144 144 LEU H H 143 8.790 8.790 8.303 0.487 18277 4239 1 5 . 1 1 145 145 ASN N N 144 114.711 114.711 116.126 -1.415 18277 4240 1 5 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.693 0.130 18277 4241 1 5 . 1 1 145 145 ASN C C 144 174.879 174.879 174.648 0.231 18277 4242 1 5 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.256 -0.105 18277 4243 1 5 . 1 1 145 145 ASN CB C 144 39.695 39.695 39.719 -0.024 18277 4244 1 5 . 1 1 145 145 ASN H H 144 8.569 8.569 7.863 0.706 18277 4245 1 5 . 1 1 146 146 PHE N N 145 121.472 121.472 123.274 -1.802 18277 4246 1 5 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.352 0.157 18277 4247 1 5 . 1 1 146 146 PHE C C 145 173.397 173.397 174.397 -1.000 18277 4248 1 5 . 1 1 146 146 PHE CA C 145 57.895 57.895 58.462 -0.567 18277 4249 1 5 . 1 1 146 146 PHE CB C 145 38.987 38.987 39.048 -0.062 18277 4250 1 5 . 1 1 146 146 PHE H H 145 7.214 7.214 7.316 -0.102 18277 4251 1 5 . 1 1 147 147 VAL N N 146 128.813 128.813 125.151 3.662 18277 4252 1 5 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.305 -0.233 18277 4253 1 5 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.242 1.456 18277 4254 1 5 . 1 1 147 147 VAL CB C 146 33.469 33.469 30.899 2.570 18277 4255 1 5 . 1 1 147 147 VAL H H 146 7.666 7.666 7.654 0.012 18277 4256 1 6 . 1 1 2 2 MET N N 1 121.461 121.461 119.515 1.946 18277 4257 1 6 . 1 1 2 2 MET HA H 1 4.581 4.581 4.490 0.091 18277 4258 1 6 . 1 1 2 2 MET C C 1 175.184 175.184 176.306 -1.122 18277 4259 1 6 . 1 1 2 2 MET CA C 1 55.447 55.447 57.335 -1.888 18277 4260 1 6 . 1 1 2 2 MET CB C 1 34.107 34.107 33.071 1.036 18277 4261 1 6 . 1 1 2 2 MET H H 1 8.431 8.431 8.364 0.067 18277 4262 1 6 . 1 1 3 3 LEU N N 2 123.575 123.575 124.139 -0.564 18277 4263 1 6 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.168 0.302 18277 4264 1 6 . 1 1 3 3 LEU C C 2 176.479 176.479 176.658 -0.179 18277 4265 1 6 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.203 -0.659 18277 4266 1 6 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.060 2.139 18277 4267 1 6 . 1 1 3 3 LEU H H 2 8.678 8.678 7.742 0.936 18277 4268 1 6 . 1 1 4 4 THR N N 3 119.326 119.326 118.425 0.901 18277 4269 1 6 . 1 1 4 4 THR HA H 3 4.398 4.398 4.556 -0.158 18277 4270 1 6 . 1 1 4 4 THR C C 3 173.920 173.920 176.066 -2.146 18277 4271 1 6 . 1 1 4 4 THR CA C 3 61.025 61.025 61.645 -0.620 18277 4272 1 6 . 1 1 4 4 THR CB C 3 71.090 71.090 69.986 1.104 18277 4273 1 6 . 1 1 4 4 THR H H 3 8.541 8.541 8.014 0.527 18277 4274 1 6 . 1 1 5 5 LEU N N 4 122.107 122.107 120.280 1.827 18277 4275 1 6 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.385 -0.097 18277 4276 1 6 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.367 0.725 18277 4277 1 6 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.835 -0.029 18277 4278 1 6 . 1 1 5 5 LEU H H 4 8.777 8.777 8.507 0.270 18277 4279 1 6 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.364 -0.018 18277 4280 1 6 . 1 1 6 6 PRO C C 5 179.812 179.812 177.947 1.865 18277 4281 1 6 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.939 1.321 18277 4282 1 6 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.072 -0.013 18277 4283 1 6 . 1 1 7 7 GLU N N 6 117.744 117.744 117.087 0.657 18277 4284 1 6 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.261 -0.235 18277 4285 1 6 . 1 1 7 7 GLU C C 6 178.359 178.359 177.112 1.247 18277 4286 1 6 . 1 1 7 7 GLU CA C 6 59.103 59.103 57.862 1.241 18277 4287 1 6 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.289 -0.019 18277 4288 1 6 . 1 1 7 7 GLU H H 6 7.088 7.088 7.773 -0.685 18277 4289 1 6 . 1 1 8 8 TYR N N 7 120.825 120.825 117.550 3.275 18277 4290 1 6 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.499 -0.604 18277 4291 1 6 . 1 1 8 8 TYR C C 7 176.641 176.641 176.857 -0.216 18277 4292 1 6 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.887 1.632 18277 4293 1 6 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.118 -1.391 18277 4294 1 6 . 1 1 8 8 TYR H H 7 8.310 8.310 7.721 0.589 18277 4295 1 6 . 1 1 9 9 ASN N N 8 118.086 118.086 118.667 -0.581 18277 4296 1 6 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.090 0.228 18277 4297 1 6 . 1 1 9 9 ASN C C 8 179.060 179.060 177.486 1.574 18277 4298 1 6 . 1 1 9 9 ASN CA C 8 55.774 55.774 54.957 0.817 18277 4299 1 6 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.493 0.816 18277 4300 1 6 . 1 1 9 9 ASN H H 8 8.791 8.791 8.097 0.694 18277 4301 1 6 . 1 1 10 10 GLU N N 9 120.057 120.057 119.981 0.076 18277 4302 1 6 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.183 -0.070 18277 4303 1 6 . 1 1 10 10 GLU C C 9 177.853 177.853 177.108 0.745 18277 4304 1 6 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.608 -0.102 18277 4305 1 6 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.380 0.261 18277 4306 1 6 . 1 1 10 10 GLU H H 9 8.013 8.013 8.423 -0.410 18277 4307 1 6 . 1 1 11 11 GLN N N 10 116.468 116.468 117.061 -0.593 18277 4308 1 6 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.622 -0.172 18277 4309 1 6 . 1 1 11 11 GLN C C 10 177.470 177.470 176.280 1.190 18277 4310 1 6 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.005 1.992 18277 4311 1 6 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.253 1.472 18277 4312 1 6 . 1 1 11 11 GLN H H 10 7.488 7.488 7.395 0.093 18277 4313 1 6 . 1 1 12 12 ILE N N 11 124.393 124.393 122.846 1.547 18277 4314 1 6 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.776 0.052 18277 4315 1 6 . 1 1 12 12 ILE CA C 11 63.506 63.506 66.053 -2.547 18277 4316 1 6 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.740 -1.482 18277 4317 1 6 . 1 1 12 12 ILE H H 11 7.605 7.605 7.229 0.376 18277 4318 1 6 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.524 -0.287 18277 4319 1 6 . 1 1 13 13 PRO C C 12 179.113 179.113 177.137 1.976 18277 4320 1 6 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.528 1.899 18277 4321 1 6 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.777 0.300 18277 4322 1 6 . 1 1 14 14 ASN N N 13 115.499 115.499 117.743 -2.244 18277 4323 1 6 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.737 -0.145 18277 4324 1 6 . 1 1 14 14 ASN C C 13 178.208 178.208 177.257 0.951 18277 4325 1 6 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.893 0.898 18277 4326 1 6 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.320 -0.276 18277 4327 1 6 . 1 1 14 14 ASN H H 13 7.793 7.793 8.051 -0.258 18277 4328 1 6 . 1 1 15 15 VAL N N 14 121.205 121.205 121.541 -0.336 18277 4329 1 6 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.823 -0.123 18277 4330 1 6 . 1 1 15 15 VAL C C 14 176.999 176.999 177.597 -0.598 18277 4331 1 6 . 1 1 15 15 VAL CA C 14 66.544 66.544 65.944 0.600 18277 4332 1 6 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.388 0.037 18277 4333 1 6 . 1 1 15 15 VAL H H 14 7.704 7.704 8.050 -0.346 18277 4334 1 6 . 1 1 16 16 ARG N N 15 121.067 121.067 118.785 2.282 18277 4335 1 6 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.110 -0.396 18277 4336 1 6 . 1 1 16 16 ARG C C 15 178.150 178.150 178.256 -0.106 18277 4337 1 6 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.707 0.813 18277 4338 1 6 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.507 0.708 18277 4339 1 6 . 1 1 16 16 ARG H H 15 8.855 8.855 7.772 1.083 18277 4340 1 6 . 1 1 17 17 SER N N 16 112.741 112.741 115.379 -2.638 18277 4341 1 6 . 1 1 17 17 SER HA H 16 4.245 4.245 4.282 -0.037 18277 4342 1 6 . 1 1 17 17 SER C C 16 177.177 177.177 176.146 1.031 18277 4343 1 6 . 1 1 17 17 SER CA C 16 61.756 61.756 61.029 0.728 18277 4344 1 6 . 1 1 17 17 SER CB C 16 62.785 62.785 62.994 -0.209 18277 4345 1 6 . 1 1 17 17 SER H H 16 7.987 7.987 7.721 0.266 18277 4346 1 6 . 1 1 18 18 LEU N N 17 122.703 122.703 117.388 5.315 18277 4347 1 6 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.598 -0.341 18277 4348 1 6 . 1 1 18 18 LEU C C 17 179.350 179.350 178.898 0.452 18277 4349 1 6 . 1 1 18 18 LEU CA C 17 58.484 58.484 56.611 1.873 18277 4350 1 6 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.507 0.968 18277 4351 1 6 . 1 1 18 18 LEU H H 17 7.728 7.728 7.569 0.159 18277 4352 1 6 . 1 1 19 19 LEU N N 18 116.536 116.536 122.143 -5.607 18277 4353 1 6 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.409 -0.178 18277 4354 1 6 . 1 1 19 19 LEU C C 18 178.556 178.556 178.918 -0.362 18277 4355 1 6 . 1 1 19 19 LEU CA C 18 57.275 57.275 58.059 -0.784 18277 4356 1 6 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.012 0.704 18277 4357 1 6 . 1 1 19 19 LEU H H 18 8.367 8.367 8.914 -0.547 18277 4358 1 6 . 1 1 20 20 THR N N 19 111.172 111.172 112.548 -1.376 18277 4359 1 6 . 1 1 20 20 THR HA H 19 4.072 4.072 3.958 0.114 18277 4360 1 6 . 1 1 20 20 THR C C 19 175.433 175.433 175.874 -0.441 18277 4361 1 6 . 1 1 20 20 THR CA C 19 65.421 65.421 65.423 -0.002 18277 4362 1 6 . 1 1 20 20 THR CB C 19 69.541 69.541 67.909 1.632 18277 4363 1 6 . 1 1 20 20 THR H H 19 7.926 7.926 7.829 0.097 18277 4364 1 6 . 1 1 21 21 LYS N N 20 117.696 117.696 118.757 -1.061 18277 4365 1 6 . 1 1 21 21 LYS HA H 20 4.351 4.351 3.986 0.365 18277 4366 1 6 . 1 1 21 21 LYS C C 20 176.229 176.229 176.950 -0.721 18277 4367 1 6 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.725 -0.211 18277 4368 1 6 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.033 0.316 18277 4369 1 6 . 1 1 21 21 LYS H H 20 7.350 7.350 8.018 -0.668 18277 4370 1 6 . 1 1 22 22 TRP N N 21 123.258 123.258 121.668 1.590 18277 4371 1 6 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.885 0.883 18277 4372 1 6 . 1 1 22 22 TRP C C 21 177.333 177.333 176.430 0.903 18277 4373 1 6 . 1 1 22 22 TRP CA C 21 54.466 54.466 56.048 -1.582 18277 4374 1 6 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.166 0.716 18277 4375 1 6 . 1 1 22 22 TRP H H 21 7.710 7.710 7.724 -0.014 18277 4376 1 6 . 1 1 23 23 ALA N N 22 133.336 133.336 128.887 4.449 18277 4377 1 6 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.165 -0.020 18277 4378 1 6 . 1 1 23 23 ALA C C 22 177.467 177.467 177.119 0.348 18277 4379 1 6 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.098 1.757 18277 4380 1 6 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.068 -0.104 18277 4381 1 6 . 1 1 23 23 ALA H H 22 9.658 9.658 8.260 1.398 18277 4382 1 6 . 1 1 24 24 LYS N N 23 111.352 111.352 116.760 -5.408 18277 4383 1 6 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.046 -0.046 18277 4384 1 6 . 1 1 24 24 LYS C C 23 175.467 175.467 176.066 -0.599 18277 4385 1 6 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.083 -0.561 18277 4386 1 6 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.052 1.254 18277 4387 1 6 . 1 1 24 24 LYS H H 23 5.756 5.756 7.996 -2.240 18277 4388 1 6 . 1 1 25 25 VAL N N 24 119.937 119.937 118.971 0.966 18277 4389 1 6 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.617 -0.239 18277 4390 1 6 . 1 1 25 25 VAL C C 24 175.634 175.634 175.535 0.099 18277 4391 1 6 . 1 1 25 25 VAL CA C 24 64.463 64.463 64.123 0.340 18277 4392 1 6 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.991 0.030 18277 4393 1 6 . 1 1 25 25 VAL H H 24 7.179 7.179 6.877 0.302 18277 4394 1 6 . 1 1 26 26 GLU N N 25 127.218 127.218 127.351 -0.133 18277 4395 1 6 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.429 -0.021 18277 4396 1 6 . 1 1 26 26 GLU C C 25 176.448 176.448 176.538 -0.090 18277 4397 1 6 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.254 0.722 18277 4398 1 6 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.910 -0.504 18277 4399 1 6 . 1 1 26 26 GLU H H 25 9.017 9.017 8.757 0.260 18277 4400 1 6 . 1 1 27 27 ARG N N 26 117.397 117.397 119.185 -1.788 18277 4401 1 6 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.624 -0.097 18277 4402 1 6 . 1 1 27 27 ARG C C 26 173.508 173.508 174.336 -0.828 18277 4403 1 6 . 1 1 27 27 ARG CA C 26 56.216 56.216 55.053 1.163 18277 4404 1 6 . 1 1 27 27 ARG CB C 26 33.963 33.963 33.951 0.012 18277 4405 1 6 . 1 1 27 27 ARG H H 26 7.521 7.521 7.637 -0.116 18277 4406 1 6 . 1 1 28 28 ILE N N 27 123.297 123.297 122.131 1.166 18277 4407 1 6 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.332 0.349 18277 4408 1 6 . 1 1 28 28 ILE C C 27 173.872 173.872 174.072 -0.200 18277 4409 1 6 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.571 0.519 18277 4410 1 6 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.801 1.884 18277 4411 1 6 . 1 1 28 28 ILE H H 27 8.662 8.662 8.421 0.241 18277 4412 1 6 . 1 1 29 29 GLN N N 28 125.810 125.810 126.911 -1.101 18277 4413 1 6 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.691 0.061 18277 4414 1 6 . 1 1 29 29 GLN C C 28 174.329 174.329 173.975 0.354 18277 4415 1 6 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.140 -0.071 18277 4416 1 6 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.062 -0.120 18277 4417 1 6 . 1 1 29 29 GLN H H 28 9.282 9.282 8.646 0.636 18277 4418 1 6 . 1 1 30 30 ASP N N 29 125.001 125.001 122.295 2.706 18277 4419 1 6 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.826 0.060 18277 4420 1 6 . 1 1 30 30 ASP C C 29 175.522 175.522 174.922 0.600 18277 4421 1 6 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.741 2.715 18277 4422 1 6 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.389 -2.066 18277 4423 1 6 . 1 1 30 30 ASP H H 29 8.666 8.666 8.501 0.165 18277 4424 1 6 . 1 1 31 31 VAL N N 30 116.978 116.978 116.094 0.884 18277 4425 1 6 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.591 0.053 18277 4426 1 6 . 1 1 31 31 VAL C C 30 175.448 175.448 175.042 0.406 18277 4427 1 6 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.055 0.123 18277 4428 1 6 . 1 1 31 31 VAL CB C 30 35.124 35.124 35.058 0.066 18277 4429 1 6 . 1 1 31 31 VAL H H 30 7.784 7.784 7.669 0.115 18277 4430 1 6 . 1 1 32 32 GLN N N 31 121.763 121.763 124.820 -3.057 18277 4431 1 6 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.176 -0.143 18277 4432 1 6 . 1 1 32 32 GLN C C 31 176.620 176.620 175.256 1.364 18277 4433 1 6 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.533 0.650 18277 4434 1 6 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.038 0.004 18277 4435 1 6 . 1 1 32 32 GLN H H 31 8.515 8.515 8.679 -0.164 18277 4436 1 6 . 1 1 33 33 ASP N N 32 121.199 121.199 119.817 1.382 18277 4437 1 6 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.453 0.522 18277 4438 1 6 . 1 1 33 33 ASP C C 32 176.998 176.998 174.893 2.105 18277 4439 1 6 . 1 1 33 33 ASP CA C 32 55.528 55.528 54.522 1.006 18277 4440 1 6 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.566 1.093 18277 4441 1 6 . 1 1 33 33 ASP H H 32 9.134 9.134 8.403 0.731 18277 4442 1 6 . 1 1 34 34 GLY N N 33 106.691 106.691 102.935 3.756 18277 4443 1 6 . 1 1 34 34 GLY C C 33 171.453 171.453 172.059 -0.606 18277 4444 1 6 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.688 1.677 18277 4445 1 6 . 1 1 34 34 GLY H H 33 8.104 8.104 7.836 0.268 18277 4446 1 6 . 1 1 35 35 LEU N N 34 119.801 119.801 119.865 -0.064 18277 4447 1 6 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.715 0.568 18277 4448 1 6 . 1 1 35 35 LEU C C 34 174.568 174.568 173.942 0.626 18277 4449 1 6 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.513 -1.945 18277 4450 1 6 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.269 2.003 18277 4451 1 6 . 1 1 35 35 LEU H H 34 8.491 8.491 8.039 0.452 18277 4452 1 6 . 1 1 36 36 GLN N N 35 121.349 121.349 121.619 -0.270 18277 4453 1 6 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.548 -0.331 18277 4454 1 6 . 1 1 36 36 GLN C C 35 174.530 174.530 173.955 0.575 18277 4455 1 6 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.437 0.327 18277 4456 1 6 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.607 -0.127 18277 4457 1 6 . 1 1 36 36 GLN H H 35 8.992 8.992 8.854 0.138 18277 4458 1 6 . 1 1 37 37 LEU N N 36 126.882 126.882 126.460 0.422 18277 4459 1 6 . 1 1 37 37 LEU HA H 36 5.358 5.358 4.820 0.538 18277 4460 1 6 . 1 1 37 37 LEU C C 36 174.519 174.519 175.675 -1.156 18277 4461 1 6 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.386 1.545 18277 4462 1 6 . 1 1 37 37 LEU CB C 36 45.251 45.251 45.091 0.160 18277 4463 1 6 . 1 1 37 37 LEU H H 36 9.826 9.826 8.469 1.357 18277 4464 1 6 . 1 1 38 38 ASP N N 37 122.748 122.748 121.296 1.452 18277 4465 1 6 . 1 1 38 38 ASP HA H 37 5.449 5.449 5.127 0.322 18277 4466 1 6 . 1 1 38 38 ASP C C 37 175.197 175.197 175.307 -0.110 18277 4467 1 6 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.328 0.051 18277 4468 1 6 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.376 0.686 18277 4469 1 6 . 1 1 38 38 ASP H H 37 8.556 8.556 8.168 0.388 18277 4470 1 6 . 1 1 39 39 VAL N N 38 124.835 124.835 124.557 0.278 18277 4471 1 6 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.674 0.467 18277 4472 1 6 . 1 1 39 39 VAL C C 38 174.081 174.081 174.565 -0.484 18277 4473 1 6 . 1 1 39 39 VAL CA C 38 60.442 60.442 62.437 -1.995 18277 4474 1 6 . 1 1 39 39 VAL CB C 38 34.594 34.594 31.581 3.013 18277 4475 1 6 . 1 1 39 39 VAL H H 38 9.495 9.495 7.711 1.784 18277 4476 1 6 . 1 1 40 40 ARG N N 39 131.221 131.221 128.586 2.635 18277 4477 1 6 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.378 0.138 18277 4478 1 6 . 1 1 40 40 ARG C C 39 174.144 174.144 175.353 -1.209 18277 4479 1 6 . 1 1 40 40 ARG CA C 39 53.504 53.504 54.888 -1.384 18277 4480 1 6 . 1 1 40 40 ARG CB C 39 28.119 28.119 29.124 -1.005 18277 4481 1 6 . 1 1 40 40 ARG H H 39 9.046 9.046 8.424 0.622 18277 4482 1 6 . 1 1 41 41 LEU N N 40 129.501 129.501 125.852 3.649 18277 4483 1 6 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.160 -0.134 18277 4484 1 6 . 1 1 41 41 LEU C C 40 176.934 176.934 177.093 -0.159 18277 4485 1 6 . 1 1 41 41 LEU CA C 40 57.863 57.863 56.633 1.230 18277 4486 1 6 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.554 1.194 18277 4487 1 6 . 1 1 41 41 LEU H H 40 7.786 7.786 8.166 -0.380 18277 4488 1 6 . 1 1 42 42 LYS N N 41 112.553 112.553 115.470 -2.917 18277 4489 1 6 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.536 0.158 18277 4490 1 6 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.256 -1.077 18277 4491 1 6 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.257 0.746 18277 4492 1 6 . 1 1 42 42 LYS H H 41 8.313 8.313 7.462 0.851 18277 4493 1 6 . 1 1 43 43 THR HA H 42 3.860 3.860 4.134 -0.274 18277 4494 1 6 . 1 1 43 43 THR C C 42 174.883 174.883 174.213 0.670 18277 4495 1 6 . 1 1 43 43 THR CA C 42 66.494 66.494 65.116 1.378 18277 4496 1 6 . 1 1 43 43 THR CB C 42 68.508 68.508 68.744 -0.236 18277 4497 1 6 . 1 1 44 44 ASP N N 43 114.795 114.795 118.463 -3.668 18277 4498 1 6 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.974 -0.145 18277 4499 1 6 . 1 1 44 44 ASP C C 43 176.791 176.791 174.634 2.157 18277 4500 1 6 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.635 -0.714 18277 4501 1 6 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.902 0.168 18277 4502 1 6 . 1 1 44 44 ASP H H 43 7.759 7.759 8.017 -0.258 18277 4503 1 6 . 1 1 45 45 THR N N 44 115.323 115.323 116.493 -1.170 18277 4504 1 6 . 1 1 45 45 THR HA H 44 5.303 5.303 5.342 -0.039 18277 4505 1 6 . 1 1 45 45 THR C C 44 171.480 171.480 173.014 -1.534 18277 4506 1 6 . 1 1 45 45 THR CA C 44 62.732 62.732 61.440 1.292 18277 4507 1 6 . 1 1 45 45 THR CB C 44 72.378 72.378 72.082 0.296 18277 4508 1 6 . 1 1 45 45 THR H H 44 7.551 7.551 8.201 -0.650 18277 4509 1 6 . 1 1 46 46 LEU N N 45 130.323 130.323 127.766 2.557 18277 4510 1 6 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.082 -0.128 18277 4511 1 6 . 1 1 46 46 LEU C C 45 174.048 174.048 174.065 -0.017 18277 4512 1 6 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.665 -0.308 18277 4513 1 6 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.422 -0.687 18277 4514 1 6 . 1 1 46 46 LEU H H 45 9.590 9.590 9.256 0.334 18277 4515 1 6 . 1 1 47 47 LEU N N 46 127.468 127.468 127.542 -0.074 18277 4516 1 6 . 1 1 47 47 LEU HA H 46 5.150 5.150 4.992 0.158 18277 4517 1 6 . 1 1 47 47 LEU C C 46 173.309 173.309 175.478 -2.169 18277 4518 1 6 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.518 0.069 18277 4519 1 6 . 1 1 47 47 LEU CB C 46 45.122 45.122 42.041 3.080 18277 4520 1 6 . 1 1 47 47 LEU H H 46 9.673 9.673 9.065 0.608 18277 4521 1 6 . 1 1 48 48 GLU N N 47 131.371 131.371 127.225 4.146 18277 4522 1 6 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.564 0.658 18277 4523 1 6 . 1 1 48 48 GLU C C 47 173.970 173.970 174.626 -0.656 18277 4524 1 6 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.703 -2.030 18277 4525 1 6 . 1 1 48 48 GLU CB C 47 31.910 31.910 29.808 2.102 18277 4526 1 6 . 1 1 48 48 GLU H H 47 9.400 9.400 8.443 0.957 18277 4527 1 6 . 1 1 49 49 LEU N N 48 129.742 129.742 126.916 2.826 18277 4528 1 6 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.364 0.624 18277 4529 1 6 . 1 1 49 49 LEU C C 48 174.115 174.115 174.870 -0.755 18277 4530 1 6 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.017 0.656 18277 4531 1 6 . 1 1 49 49 LEU CB C 48 45.638 45.638 43.139 2.499 18277 4532 1 6 . 1 1 49 49 LEU H H 48 9.433 9.433 7.854 1.579 18277 4533 1 6 . 1 1 50 50 HIS N N 49 126.356 126.356 124.203 2.153 18277 4534 1 6 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.665 -0.245 18277 4535 1 6 . 1 1 50 50 HIS C C 49 174.293 174.293 174.661 -0.368 18277 4536 1 6 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.361 2.265 18277 4537 1 6 . 1 1 50 50 HIS CB C 49 33.850 33.850 32.162 1.688 18277 4538 1 6 . 1 1 50 50 HIS H H 49 9.575 9.575 8.495 1.080 18277 4539 1 6 . 1 1 51 51 ILE N N 50 123.679 123.679 126.255 -2.576 18277 4540 1 6 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.880 0.366 18277 4541 1 6 . 1 1 51 51 ILE C C 50 175.021 175.021 173.856 1.165 18277 4542 1 6 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.805 0.787 18277 4543 1 6 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.943 0.828 18277 4544 1 6 . 1 1 51 51 ILE H H 50 8.991 8.991 8.415 0.576 18277 4545 1 6 . 1 1 52 52 TYR N N 51 126.281 126.281 125.295 0.986 18277 4546 1 6 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.208 0.263 18277 4547 1 6 . 1 1 52 52 TYR C C 51 171.145 171.145 173.203 -2.058 18277 4548 1 6 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.470 0.142 18277 4549 1 6 . 1 1 52 52 TYR CB C 51 41.121 41.121 41.236 -0.115 18277 4550 1 6 . 1 1 52 52 TYR H H 51 9.189 9.189 8.482 0.707 18277 4551 1 6 . 1 1 53 53 TYR N N 52 120.025 120.025 124.637 -4.612 18277 4552 1 6 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.180 -0.373 18277 4553 1 6 . 1 1 53 53 TYR C C 52 173.874 173.874 174.061 -0.187 18277 4554 1 6 . 1 1 53 53 TYR CA C 52 56.962 56.962 58.093 -1.131 18277 4555 1 6 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.639 -0.095 18277 4556 1 6 . 1 1 53 53 TYR H H 52 7.985 7.985 8.984 -0.999 18277 4557 1 6 . 1 1 54 54 ASP N N 53 127.411 127.411 125.527 1.884 18277 4558 1 6 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.790 -0.097 18277 4559 1 6 . 1 1 54 54 ASP C C 53 175.962 175.962 175.609 0.353 18277 4560 1 6 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.615 1.362 18277 4561 1 6 . 1 1 54 54 ASP CB C 53 43.028 43.028 43.146 -0.118 18277 4562 1 6 . 1 1 54 54 ASP H H 53 7.449 7.449 8.190 -0.741 18277 4563 1 6 . 1 1 55 55 HIS N N 54 124.486 124.486 124.011 0.475 18277 4564 1 6 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.364 -0.385 18277 4565 1 6 . 1 1 55 55 HIS C C 54 175.406 175.406 175.001 0.405 18277 4566 1 6 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.630 1.986 18277 4567 1 6 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.128 2.289 18277 4568 1 6 . 1 1 55 55 HIS H H 54 8.512 8.512 8.655 -0.143 18277 4569 1 6 . 1 1 56 56 VAL N N 55 120.625 120.625 119.254 1.371 18277 4570 1 6 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.674 -0.138 18277 4571 1 6 . 1 1 56 56 VAL C C 55 177.379 177.379 176.322 1.057 18277 4572 1 6 . 1 1 56 56 VAL CA C 55 65.174 65.174 65.604 -0.430 18277 4573 1 6 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.901 -0.627 18277 4574 1 6 . 1 1 56 56 VAL H H 55 8.397 8.397 8.115 0.282 18277 4575 1 6 . 1 1 57 57 TYR N N 56 115.771 115.771 113.658 2.113 18277 4576 1 6 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.687 -0.421 18277 4577 1 6 . 1 1 57 57 TYR C C 56 174.645 174.645 174.967 -0.322 18277 4578 1 6 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.541 1.185 18277 4579 1 6 . 1 1 57 57 TYR CB C 56 39.566 39.566 40.146 -0.580 18277 4580 1 6 . 1 1 57 57 TYR H H 56 7.641 7.641 7.528 0.113 18277 4581 1 6 . 1 1 58 58 HIS N N 57 116.177 116.177 116.069 0.108 18277 4582 1 6 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.307 -0.560 18277 4583 1 6 . 1 1 58 58 HIS C C 57 172.860 172.860 173.950 -1.090 18277 4584 1 6 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.607 -0.959 18277 4585 1 6 . 1 1 58 58 HIS CB C 57 25.302 25.302 26.972 -1.670 18277 4586 1 6 . 1 1 58 58 HIS H H 57 7.764 7.764 7.679 0.085 18277 4587 1 6 . 1 1 59 59 VAL N N 58 104.729 104.729 112.659 -7.930 18277 4588 1 6 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.569 0.131 18277 4589 1 6 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.566 -2.234 18277 4590 1 6 . 1 1 59 59 VAL CB C 58 34.213 34.213 34.362 -0.149 18277 4591 1 6 . 1 1 59 59 VAL H H 58 6.310 6.310 7.429 -1.119 18277 4592 1 6 . 1 1 60 60 PRO HA H 59 4.345 4.345 3.893 0.452 18277 4593 1 6 . 1 1 60 60 PRO C C 59 174.254 174.254 175.361 -1.107 18277 4594 1 6 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.880 -0.290 18277 4595 1 6 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.266 -1.490 18277 4596 1 6 . 1 1 61 61 SER N N 60 116.530 116.530 114.393 2.137 18277 4597 1 6 . 1 1 61 61 SER HA H 60 4.899 4.899 4.947 -0.048 18277 4598 1 6 . 1 1 61 61 SER CA C 60 57.691 57.691 56.220 1.471 18277 4599 1 6 . 1 1 61 61 SER CB C 60 66.483 66.483 64.382 2.101 18277 4600 1 6 . 1 1 61 61 SER H H 60 8.854 8.854 8.337 0.517 18277 4601 1 6 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.961 0.743 18277 4602 1 6 . 1 1 62 62 ILE C C 61 176.160 176.160 174.196 1.964 18277 4603 1 6 . 1 1 62 62 ILE CA C 61 59.918 59.918 60.697 -0.779 18277 4604 1 6 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.964 -0.174 18277 4605 1 6 . 1 1 63 63 LYS N N 62 123.794 123.794 125.539 -1.745 18277 4606 1 6 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.869 0.825 18277 4607 1 6 . 1 1 63 63 LYS C C 62 174.598 174.598 174.524 0.074 18277 4608 1 6 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.787 -1.279 18277 4609 1 6 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.097 0.606 18277 4610 1 6 . 1 1 63 63 LYS H H 62 9.011 9.011 9.169 -0.158 18277 4611 1 6 . 1 1 64 64 PHE N N 63 116.267 116.267 122.052 -5.785 18277 4612 1 6 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.095 1.218 18277 4613 1 6 . 1 1 64 64 PHE C C 63 173.139 173.139 173.642 -0.503 18277 4614 1 6 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.403 1.190 18277 4615 1 6 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.825 0.116 18277 4616 1 6 . 1 1 64 64 PHE H H 63 9.776 9.776 7.680 2.096 18277 4617 1 6 . 1 1 65 65 ARG N N 64 116.428 116.428 118.609 -2.181 18277 4618 1 6 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.902 -0.121 18277 4619 1 6 . 1 1 65 65 ARG C C 64 173.867 173.867 174.641 -0.774 18277 4620 1 6 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.835 0.922 18277 4621 1 6 . 1 1 65 65 ARG CB C 64 35.068 35.068 33.686 1.382 18277 4622 1 6 . 1 1 65 65 ARG H H 64 9.257 9.257 8.229 1.028 18277 4623 1 6 . 1 1 66 66 LEU N N 65 121.826 121.826 124.287 -2.461 18277 4624 1 6 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.539 0.910 18277 4625 1 6 . 1 1 66 66 LEU C C 65 174.002 174.002 176.686 -2.684 18277 4626 1 6 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.577 -1.751 18277 4627 1 6 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.734 3.938 18277 4628 1 6 . 1 1 66 66 LEU H H 65 9.041 9.041 8.854 0.187 18277 4629 1 6 . 1 1 67 67 TRP N N 66 120.671 120.671 123.563 -2.892 18277 4630 1 6 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.237 0.086 18277 4631 1 6 . 1 1 67 67 TRP C C 66 175.763 175.763 175.402 0.361 18277 4632 1 6 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.284 -1.202 18277 4633 1 6 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.790 -0.619 18277 4634 1 6 . 1 1 67 67 TRP H H 66 9.366 9.366 9.080 0.286 18277 4635 1 6 . 1 1 68 68 SER N N 67 117.273 117.273 117.035 0.238 18277 4636 1 6 . 1 1 68 68 SER HA H 67 5.297 5.297 5.255 0.042 18277 4637 1 6 . 1 1 68 68 SER C C 67 174.327 174.327 174.389 -0.062 18277 4638 1 6 . 1 1 68 68 SER CA C 67 56.883 56.883 56.689 0.194 18277 4639 1 6 . 1 1 68 68 SER CB C 67 65.230 65.230 64.600 0.631 18277 4640 1 6 . 1 1 68 68 SER H H 67 9.750 9.750 9.422 0.328 18277 4641 1 6 . 1 1 69 69 LEU N N 68 126.002 126.002 129.242 -3.240 18277 4642 1 6 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.486 0.272 18277 4643 1 6 . 1 1 69 69 LEU C C 68 176.022 176.022 176.234 -0.212 18277 4644 1 6 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.818 -1.439 18277 4645 1 6 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.712 0.659 18277 4646 1 6 . 1 1 69 69 LEU H H 68 8.119 8.119 8.719 -0.600 18277 4647 1 6 . 1 1 70 70 ASP N N 69 124.828 124.828 123.430 1.398 18277 4648 1 6 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.942 -0.161 18277 4649 1 6 . 1 1 70 70 ASP C C 69 176.396 176.396 176.082 0.314 18277 4650 1 6 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.656 0.727 18277 4651 1 6 . 1 1 70 70 ASP CB C 69 41.992 41.992 43.297 -1.305 18277 4652 1 6 . 1 1 70 70 ASP H H 69 8.572 8.572 7.611 0.961 18277 4653 1 6 . 1 1 71 71 THR N N 70 114.913 114.913 115.956 -1.043 18277 4654 1 6 . 1 1 71 71 THR HA H 70 4.531 4.531 4.423 0.108 18277 4655 1 6 . 1 1 71 71 THR C C 70 174.451 174.451 175.078 -0.627 18277 4656 1 6 . 1 1 71 71 THR CA C 70 61.742 61.742 61.029 0.713 18277 4657 1 6 . 1 1 71 71 THR CB C 70 69.950 69.950 68.689 1.261 18277 4658 1 6 . 1 1 71 71 THR H H 70 8.403 8.403 8.579 -0.176 18277 4659 1 6 . 1 1 72 72 GLU N N 71 123.605 123.605 121.014 2.591 18277 4660 1 6 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.066 0.175 18277 4661 1 6 . 1 1 72 72 GLU C C 71 176.451 176.451 177.516 -1.065 18277 4662 1 6 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.698 -1.491 18277 4663 1 6 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.625 0.784 18277 4664 1 6 . 1 1 72 72 GLU H H 71 8.542 8.542 8.621 -0.079 18277 4665 1 6 . 1 1 73 73 GLU N N 72 119.641 119.641 117.197 2.444 18277 4666 1 6 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.375 -0.264 18277 4667 1 6 . 1 1 73 73 GLU C C 72 175.577 175.577 175.492 0.085 18277 4668 1 6 . 1 1 73 73 GLU CA C 72 57.097 57.097 55.898 1.200 18277 4669 1 6 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.043 -0.700 18277 4670 1 6 . 1 1 73 73 GLU H H 72 8.503 8.503 8.107 0.396 18277 4671 1 6 . 1 1 74 74 ASP N N 73 117.882 117.882 118.763 -0.881 18277 4672 1 6 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.345 0.226 18277 4673 1 6 . 1 1 74 74 ASP C C 73 176.077 176.077 175.381 0.696 18277 4674 1 6 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.316 -0.822 18277 4675 1 6 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.142 1.796 18277 4676 1 6 . 1 1 74 74 ASP H H 73 8.228 8.228 8.337 -0.109 18277 4677 1 6 . 1 1 75 75 ILE N N 74 120.809 120.809 112.538 8.271 18277 4678 1 6 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.292 -0.083 18277 4679 1 6 . 1 1 75 75 ILE C C 74 175.939 175.939 175.918 0.021 18277 4680 1 6 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.387 0.939 18277 4681 1 6 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.501 0.168 18277 4682 1 6 . 1 1 75 75 ILE H H 74 8.089 8.089 8.080 0.009 18277 4683 1 6 . 1 1 76 76 SER N N 75 119.402 119.402 115.531 3.871 18277 4684 1 6 . 1 1 76 76 SER HA H 75 4.652 4.652 4.191 0.461 18277 4685 1 6 . 1 1 76 76 SER C C 75 174.313 174.313 174.109 0.204 18277 4686 1 6 . 1 1 76 76 SER CA C 75 58.778 58.778 58.835 -0.057 18277 4687 1 6 . 1 1 76 76 SER CB C 75 63.860 63.860 62.893 0.967 18277 4688 1 6 . 1 1 76 76 SER H H 75 8.449 8.449 8.169 0.280 18277 4689 1 6 . 1 1 77 77 SER N N 76 118.644 118.644 115.702 2.942 18277 4690 1 6 . 1 1 77 77 SER HA H 76 4.588 4.588 4.582 0.006 18277 4691 1 6 . 1 1 77 77 SER C C 76 173.094 173.094 173.393 -0.299 18277 4692 1 6 . 1 1 77 77 SER CA C 76 57.772 57.772 58.348 -0.576 18277 4693 1 6 . 1 1 77 77 SER CB C 76 64.461 64.461 64.248 0.213 18277 4694 1 6 . 1 1 77 77 SER H H 76 8.280 8.280 7.812 0.468 18277 4695 1 6 . 1 1 78 78 LEU N N 77 123.896 123.896 114.122 9.774 18277 4696 1 6 . 1 1 78 78 LEU HA H 77 4.998 4.998 4.984 0.014 18277 4697 1 6 . 1 1 78 78 LEU C C 77 177.081 177.081 174.931 2.150 18277 4698 1 6 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.708 0.300 18277 4699 1 6 . 1 1 78 78 LEU CB C 77 44.021 44.021 44.695 -0.674 18277 4700 1 6 . 1 1 78 78 LEU H H 77 7.981 7.981 8.155 -0.174 18277 4701 1 6 . 1 1 79 79 ARG N N 78 123.195 123.195 120.388 2.807 18277 4702 1 6 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.753 0.206 18277 4703 1 6 . 1 1 79 79 ARG C C 78 174.994 174.994 174.527 0.467 18277 4704 1 6 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.149 -0.485 18277 4705 1 6 . 1 1 79 79 ARG CB C 78 33.280 33.280 32.773 0.507 18277 4706 1 6 . 1 1 79 79 ARG H H 78 9.013 9.013 8.055 0.958 18277 4707 1 6 . 1 1 80 80 LEU N N 79 128.388 128.388 126.946 1.442 18277 4708 1 6 . 1 1 80 80 LEU HA H 79 3.778 3.778 4.094 -0.316 18277 4709 1 6 . 1 1 80 80 LEU C C 79 177.216 177.216 175.880 1.336 18277 4710 1 6 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.520 0.529 18277 4711 1 6 . 1 1 80 80 LEU CB C 79 42.285 42.285 42.178 0.107 18277 4712 1 6 . 1 1 80 80 LEU H H 79 8.807 8.807 8.617 0.190 18277 4713 1 6 . 1 1 81 81 LEU N N 80 127.521 127.521 127.080 0.441 18277 4714 1 6 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.571 -0.008 18277 4715 1 6 . 1 1 81 81 LEU C C 80 176.354 176.354 175.718 0.636 18277 4716 1 6 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.277 -0.116 18277 4717 1 6 . 1 1 81 81 LEU CB C 80 43.410 43.410 44.217 -0.806 18277 4718 1 6 . 1 1 81 81 LEU H H 80 8.478 8.478 8.257 0.221 18277 4719 1 6 . 1 1 82 82 THR N N 81 121.108 121.108 113.314 7.794 18277 4720 1 6 . 1 1 82 82 THR HA H 81 4.391 4.391 4.815 -0.424 18277 4721 1 6 . 1 1 82 82 THR C C 81 173.678 173.678 173.622 0.056 18277 4722 1 6 . 1 1 82 82 THR CA C 81 61.112 61.112 61.575 -0.463 18277 4723 1 6 . 1 1 82 82 THR CB C 81 68.941 68.941 69.653 -0.712 18277 4724 1 6 . 1 1 82 82 THR H H 81 8.735 8.735 8.024 0.711 18277 4725 1 6 . 1 1 83 83 LEU N N 82 125.276 125.276 123.794 1.482 18277 4726 1 6 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.991 -0.220 18277 4727 1 6 . 1 1 83 83 LEU C C 82 177.192 177.192 175.060 2.132 18277 4728 1 6 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.457 -0.043 18277 4729 1 6 . 1 1 83 83 LEU CB C 82 44.525 44.525 44.433 0.092 18277 4730 1 6 . 1 1 83 83 LEU H H 82 7.985 7.985 8.286 -0.301 18277 4731 1 6 . 1 1 84 84 SER N N 83 118.590 118.590 114.879 3.711 18277 4732 1 6 . 1 1 84 84 SER HA H 83 4.591 4.591 4.453 0.138 18277 4733 1 6 . 1 1 84 84 SER C C 83 174.317 174.317 175.281 -0.964 18277 4734 1 6 . 1 1 84 84 SER CA C 83 57.202 57.202 57.407 -0.205 18277 4735 1 6 . 1 1 84 84 SER CB C 83 65.345 65.345 64.216 1.129 18277 4736 1 6 . 1 1 84 84 SER H H 83 9.214 9.214 8.733 0.481 18277 4737 1 6 . 1 1 85 85 ASP N N 84 121.149 121.149 120.323 0.826 18277 4738 1 6 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.484 -0.141 18277 4739 1 6 . 1 1 85 85 ASP C C 84 178.027 178.027 178.261 -0.234 18277 4740 1 6 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.312 1.478 18277 4741 1 6 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.559 1.427 18277 4742 1 6 . 1 1 85 85 ASP H H 84 9.014 9.014 8.799 0.215 18277 4743 1 6 . 1 1 86 86 SER N N 85 111.874 111.874 115.090 -3.216 18277 4744 1 6 . 1 1 86 86 SER HA H 85 4.110 4.110 4.158 -0.048 18277 4745 1 6 . 1 1 86 86 SER C C 85 177.696 177.696 176.231 1.465 18277 4746 1 6 . 1 1 86 86 SER CA C 85 61.560 61.560 61.447 0.113 18277 4747 1 6 . 1 1 86 86 SER CB C 85 62.355 62.355 63.185 -0.831 18277 4748 1 6 . 1 1 86 86 SER H H 85 8.467 8.467 8.533 -0.066 18277 4749 1 6 . 1 1 87 87 GLU N N 86 122.948 122.948 119.203 3.745 18277 4750 1 6 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.242 -0.165 18277 4751 1 6 . 1 1 87 87 GLU C C 86 180.335 180.335 178.197 2.138 18277 4752 1 6 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.162 0.874 18277 4753 1 6 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.593 1.226 18277 4754 1 6 . 1 1 87 87 GLU H H 86 7.660 7.660 8.317 -0.657 18277 4755 1 6 . 1 1 88 88 LEU N N 87 122.341 122.341 121.007 1.334 18277 4756 1 6 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.239 -0.356 18277 4757 1 6 . 1 1 88 88 LEU C C 87 178.818 178.818 177.854 0.964 18277 4758 1 6 . 1 1 88 88 LEU CA C 87 58.074 58.074 56.553 1.521 18277 4759 1 6 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.742 0.629 18277 4760 1 6 . 1 1 88 88 LEU H H 87 8.878 8.878 8.095 0.783 18277 4761 1 6 . 1 1 89 89 ARG N N 88 115.874 115.874 119.311 -3.437 18277 4762 1 6 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.257 -0.131 18277 4763 1 6 . 1 1 89 89 ARG C C 88 176.552 176.552 177.530 -0.978 18277 4764 1 6 . 1 1 89 89 ARG CA C 88 58.720 58.720 57.563 1.157 18277 4765 1 6 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.782 0.003 18277 4766 1 6 . 1 1 89 89 ARG H H 88 7.956 7.956 8.346 -0.390 18277 4767 1 6 . 1 1 90 90 SER N N 89 112.295 112.295 114.036 -1.741 18277 4768 1 6 . 1 1 90 90 SER HA H 89 4.565 4.565 4.269 0.296 18277 4769 1 6 . 1 1 90 90 SER C C 89 174.817 174.817 175.264 -0.447 18277 4770 1 6 . 1 1 90 90 SER CA C 89 60.043 60.043 60.975 -0.932 18277 4771 1 6 . 1 1 90 90 SER CB C 89 63.858 63.858 63.114 0.744 18277 4772 1 6 . 1 1 90 90 SER H H 89 7.481 7.481 7.501 -0.020 18277 4773 1 6 . 1 1 91 91 ILE N N 90 116.577 116.577 113.150 3.427 18277 4774 1 6 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.372 0.066 18277 4775 1 6 . 1 1 91 91 ILE C C 90 174.636 174.636 175.456 -0.820 18277 4776 1 6 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.281 0.981 18277 4777 1 6 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.811 1.798 18277 4778 1 6 . 1 1 91 91 ILE H H 90 7.372 7.372 7.143 0.229 18277 4779 1 6 . 1 1 92 92 LEU N N 91 119.723 119.723 119.484 0.239 18277 4780 1 6 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.397 0.244 18277 4781 1 6 . 1 1 92 92 LEU C C 91 175.178 175.178 176.067 -0.889 18277 4782 1 6 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.090 -1.277 18277 4783 1 6 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.602 1.071 18277 4784 1 6 . 1 1 92 92 LEU H H 91 7.900 7.900 7.446 0.454 18277 4785 1 6 . 1 1 93 93 ASN N N 92 119.687 119.687 119.724 -0.037 18277 4786 1 6 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.859 0.124 18277 4787 1 6 . 1 1 93 93 ASN C C 92 174.978 174.978 174.668 0.310 18277 4788 1 6 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.071 -0.700 18277 4789 1 6 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.314 -1.583 18277 4790 1 6 . 1 1 93 93 ASN H H 92 8.916 8.916 8.394 0.522 18277 4791 1 6 . 1 1 94 94 LEU N N 93 121.052 121.052 124.304 -3.252 18277 4792 1 6 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.335 -0.389 18277 4793 1 6 . 1 1 94 94 LEU C C 93 177.367 177.367 178.387 -1.020 18277 4794 1 6 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.367 0.684 18277 4795 1 6 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.030 0.742 18277 4796 1 6 . 1 1 94 94 LEU H H 93 8.172 8.172 8.690 -0.518 18277 4797 1 6 . 1 1 95 95 GLY N N 94 105.340 105.340 106.996 -1.656 18277 4798 1 6 . 1 1 95 95 GLY C C 94 176.133 176.133 175.887 0.246 18277 4799 1 6 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.233 0.116 18277 4800 1 6 . 1 1 95 95 GLY H H 94 8.281 8.281 8.171 0.110 18277 4801 1 6 . 1 1 96 96 THR N N 95 117.040 117.040 117.571 -0.531 18277 4802 1 6 . 1 1 96 96 THR HA H 95 4.242 4.242 4.409 -0.167 18277 4803 1 6 . 1 1 96 96 THR C C 95 175.349 175.349 175.105 0.244 18277 4804 1 6 . 1 1 96 96 THR CA C 95 61.859 61.859 61.555 0.304 18277 4805 1 6 . 1 1 96 96 THR CB C 95 68.399 68.399 69.839 -1.440 18277 4806 1 6 . 1 1 96 96 THR H H 95 8.419 8.419 7.949 0.470 18277 4807 1 6 . 1 1 97 97 PHE N N 96 122.590 122.590 122.122 0.468 18277 4808 1 6 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.438 0.284 18277 4809 1 6 . 1 1 97 97 PHE C C 96 174.704 174.704 175.752 -1.048 18277 4810 1 6 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.485 -0.886 18277 4811 1 6 . 1 1 97 97 PHE CB C 96 39.149 39.149 40.058 -0.909 18277 4812 1 6 . 1 1 97 97 PHE H H 96 8.517 8.517 8.553 -0.036 18277 4813 1 6 . 1 1 98 98 SER N N 97 114.201 114.201 114.957 -0.756 18277 4814 1 6 . 1 1 98 98 SER HA H 97 4.859 4.859 4.881 -0.022 18277 4815 1 6 . 1 1 98 98 SER C C 97 173.002 173.002 173.102 -0.100 18277 4816 1 6 . 1 1 98 98 SER CA C 97 57.346 57.346 57.934 -0.588 18277 4817 1 6 . 1 1 98 98 SER CB C 97 65.739 65.739 65.490 0.249 18277 4818 1 6 . 1 1 98 98 SER H H 97 9.129 9.129 8.803 0.326 18277 4819 1 6 . 1 1 99 99 VAL N N 98 120.191 120.191 118.934 1.257 18277 4820 1 6 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.715 0.804 18277 4821 1 6 . 1 1 99 99 VAL C C 98 175.574 175.574 175.136 0.438 18277 4822 1 6 . 1 1 99 99 VAL CA C 98 59.390 59.390 61.356 -1.966 18277 4823 1 6 . 1 1 99 99 VAL CB C 98 35.426 35.426 36.458 -1.032 18277 4824 1 6 . 1 1 99 99 VAL H H 98 8.655 8.655 8.503 0.152 18277 4825 1 6 . 1 1 100 100 THR N N 99 120.623 120.623 120.392 0.231 18277 4826 1 6 . 1 1 100 100 THR HA H 99 4.729 4.729 4.640 0.089 18277 4827 1 6 . 1 1 100 100 THR C C 99 172.605 172.605 172.585 0.020 18277 4828 1 6 . 1 1 100 100 THR CA C 99 61.114 61.114 61.774 -0.660 18277 4829 1 6 . 1 1 100 100 THR CB C 99 71.850 71.850 70.465 1.385 18277 4830 1 6 . 1 1 100 100 THR H H 99 8.997 8.997 8.941 0.056 18277 4831 1 6 . 1 1 101 101 LEU N N 100 127.613 127.613 129.784 -2.171 18277 4832 1 6 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.296 -0.347 18277 4833 1 6 . 1 1 101 101 LEU C C 100 176.666 176.666 175.824 0.842 18277 4834 1 6 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.988 0.701 18277 4835 1 6 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.059 0.107 18277 4836 1 6 . 1 1 101 101 LEU H H 100 8.766 8.766 8.553 0.213 18277 4837 1 6 . 1 1 102 102 SER N N 101 119.771 119.771 122.052 -2.281 18277 4838 1 6 . 1 1 102 102 SER HA H 101 4.749 4.749 4.836 -0.087 18277 4839 1 6 . 1 1 102 102 SER C C 101 173.477 173.477 173.055 0.422 18277 4840 1 6 . 1 1 102 102 SER CA C 101 57.514 57.514 56.802 0.712 18277 4841 1 6 . 1 1 102 102 SER CB C 101 65.024 65.024 65.848 -0.824 18277 4842 1 6 . 1 1 102 102 SER H H 101 8.926 8.926 8.762 0.164 18277 4843 1 6 . 1 1 103 103 THR N N 102 117.853 117.853 118.584 -0.731 18277 4844 1 6 . 1 1 103 103 THR HA H 102 4.618 4.618 4.646 -0.028 18277 4845 1 6 . 1 1 103 103 THR C C 102 174.020 174.020 173.752 0.268 18277 4846 1 6 . 1 1 103 103 THR CA C 102 61.991 61.991 61.422 0.570 18277 4847 1 6 . 1 1 103 103 THR CB C 102 69.972 69.972 70.906 -0.935 18277 4848 1 6 . 1 1 103 103 THR H H 102 8.409 8.409 8.244 0.165 18277 4849 1 6 . 1 1 104 104 ASP N N 103 125.295 125.295 125.194 0.101 18277 4850 1 6 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.779 -0.071 18277 4851 1 6 . 1 1 104 104 ASP C C 103 176.908 176.908 178.290 -1.382 18277 4852 1 6 . 1 1 104 104 ASP CA C 103 53.559 53.559 53.875 -0.316 18277 4853 1 6 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.538 -0.293 18277 4854 1 6 . 1 1 104 104 ASP H H 103 8.598 8.598 8.335 0.263 18277 4855 1 6 . 1 1 105 105 MET N N 104 122.470 122.470 121.917 0.553 18277 4856 1 6 . 1 1 105 105 MET HA H 104 4.270 4.270 4.229 0.041 18277 4857 1 6 . 1 1 105 105 MET C C 104 177.354 177.354 176.573 0.781 18277 4858 1 6 . 1 1 105 105 MET CA C 104 57.300 57.300 57.791 -0.491 18277 4859 1 6 . 1 1 105 105 MET CB C 104 32.108 32.108 32.729 -0.621 18277 4860 1 6 . 1 1 105 105 MET H H 104 8.719 8.719 8.637 0.082 18277 4861 1 6 . 1 1 106 106 GLU N N 105 118.752 118.752 117.169 1.583 18277 4862 1 6 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.225 0.011 18277 4863 1 6 . 1 1 106 106 GLU C C 105 177.172 177.172 176.658 0.514 18277 4864 1 6 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.600 1.129 18277 4865 1 6 . 1 1 106 106 GLU CB C 105 29.776 29.776 30.083 -0.307 18277 4866 1 6 . 1 1 106 106 GLU H H 105 8.306 8.306 8.094 0.212 18277 4867 1 6 . 1 1 107 107 MET N N 106 116.736 116.736 116.273 0.463 18277 4868 1 6 . 1 1 107 107 MET HA H 106 4.329 4.329 4.100 0.229 18277 4869 1 6 . 1 1 107 107 MET C C 106 176.319 176.319 175.182 1.137 18277 4870 1 6 . 1 1 107 107 MET CA C 106 55.514 55.514 56.163 -0.649 18277 4871 1 6 . 1 1 107 107 MET CB C 106 31.566 31.566 31.421 0.145 18277 4872 1 6 . 1 1 107 107 MET H H 106 8.206 8.206 7.815 0.391 18277 4873 1 6 . 1 1 108 108 LYS N N 107 117.661 117.661 117.064 0.597 18277 4874 1 6 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.327 -0.241 18277 4875 1 6 . 1 1 108 108 LYS C C 107 176.049 176.049 175.198 0.851 18277 4876 1 6 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.368 0.732 18277 4877 1 6 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.963 -2.073 18277 4878 1 6 . 1 1 108 108 LYS H H 107 8.382 8.382 8.361 0.021 18277 4879 1 6 . 1 1 109 109 SER N N 108 113.019 113.019 114.124 -1.105 18277 4880 1 6 . 1 1 109 109 SER HA H 108 4.566 4.566 4.511 0.055 18277 4881 1 6 . 1 1 109 109 SER C C 108 172.969 172.969 171.883 1.086 18277 4882 1 6 . 1 1 109 109 SER CA C 108 56.997 56.997 56.667 0.330 18277 4883 1 6 . 1 1 109 109 SER CB C 108 65.035 65.035 65.425 -0.390 18277 4884 1 6 . 1 1 109 109 SER H H 108 7.892 7.892 7.446 0.446 18277 4885 1 6 . 1 1 110 110 VAL N N 109 121.915 121.915 119.839 2.076 18277 4886 1 6 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.339 0.063 18277 4887 1 6 . 1 1 110 110 VAL C C 109 174.706 174.706 174.446 0.260 18277 4888 1 6 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.419 1.555 18277 4889 1 6 . 1 1 110 110 VAL CB C 109 33.080 33.080 34.428 -1.348 18277 4890 1 6 . 1 1 110 110 VAL H H 109 7.878 7.878 7.825 0.053 18277 4891 1 6 . 1 1 111 111 TYR N N 110 122.247 122.247 121.614 0.633 18277 4892 1 6 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.622 -0.286 18277 4893 1 6 . 1 1 111 111 TYR C C 110 173.915 173.915 174.376 -0.461 18277 4894 1 6 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.679 1.584 18277 4895 1 6 . 1 1 111 111 TYR CB C 110 43.222 43.222 41.064 2.158 18277 4896 1 6 . 1 1 111 111 TYR H H 110 8.317 8.317 8.070 0.247 18277 4897 1 6 . 1 1 112 112 TYR N N 111 117.096 117.096 119.755 -2.659 18277 4898 1 6 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.570 0.299 18277 4899 1 6 . 1 1 112 112 TYR C C 111 175.418 175.418 175.012 0.406 18277 4900 1 6 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.440 0.743 18277 4901 1 6 . 1 1 112 112 TYR CB C 111 38.681 38.681 36.906 1.775 18277 4902 1 6 . 1 1 112 112 TYR H H 111 8.690 8.690 8.672 0.018 18277 4903 1 6 . 1 1 113 113 TYR N N 112 120.208 120.208 123.311 -3.103 18277 4904 1 6 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.869 0.070 18277 4905 1 6 . 1 1 113 113 TYR C C 112 176.674 176.674 176.449 0.225 18277 4906 1 6 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.735 -1.168 18277 4907 1 6 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.724 2.200 18277 4908 1 6 . 1 1 113 113 TYR H H 112 9.374 9.374 8.613 0.761 18277 4909 1 6 . 1 1 114 114 ILE N N 113 121.490 121.490 125.413 -3.923 18277 4910 1 6 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.050 0.771 18277 4911 1 6 . 1 1 114 114 ILE C C 113 176.329 176.329 176.281 0.048 18277 4912 1 6 . 1 1 114 114 ILE CA C 113 60.039 60.039 61.806 -1.766 18277 4913 1 6 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.212 -1.246 18277 4914 1 6 . 1 1 114 114 ILE H H 113 8.076 8.076 7.981 0.095 18277 4915 1 6 . 1 1 115 115 ASN N N 114 129.212 129.212 125.877 3.335 18277 4916 1 6 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.568 0.133 18277 4917 1 6 . 1 1 115 115 ASN C C 114 175.914 175.914 174.100 1.814 18277 4918 1 6 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.650 0.372 18277 4919 1 6 . 1 1 115 115 ASN CB C 114 38.549 38.549 39.121 -0.572 18277 4920 1 6 . 1 1 115 115 ASN H H 114 8.959 8.959 8.231 0.728 18277 4921 1 6 . 1 1 116 116 ASN N N 115 121.613 121.613 120.356 1.257 18277 4922 1 6 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.102 -0.233 18277 4923 1 6 . 1 1 116 116 ASN C C 115 178.040 178.040 174.587 3.453 18277 4924 1 6 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.551 0.229 18277 4925 1 6 . 1 1 116 116 ASN CB C 115 39.096 39.096 40.017 -0.921 18277 4926 1 6 . 1 1 116 116 ASN H H 115 8.464 8.464 8.328 0.136 18277 4927 1 6 . 1 1 117 117 CYS N N 116 120.777 120.777 119.968 0.809 18277 4928 1 6 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.514 0.230 18277 4929 1 6 . 1 1 117 117 CYS C C 116 174.635 174.635 174.054 0.581 18277 4930 1 6 . 1 1 117 117 CYS CA C 116 60.087 60.087 58.232 1.855 18277 4931 1 6 . 1 1 117 117 CYS CB C 116 27.456 27.456 28.533 -1.077 18277 4932 1 6 . 1 1 117 117 CYS H H 116 8.256 8.256 8.166 0.090 18277 4933 1 6 . 1 1 118 118 ASP N N 117 119.926 119.926 123.516 -3.590 18277 4934 1 6 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.695 0.204 18277 4935 1 6 . 1 1 118 118 ASP C C 117 176.225 176.225 175.831 0.394 18277 4936 1 6 . 1 1 118 118 ASP CA C 117 53.410 53.410 54.411 -1.001 18277 4937 1 6 . 1 1 118 118 ASP CB C 117 40.174 40.174 38.946 1.228 18277 4938 1 6 . 1 1 118 118 ASP H H 117 8.420 8.420 8.304 0.116 18277 4939 1 6 . 1 1 119 119 THR N N 118 116.185 116.185 115.337 0.848 18277 4940 1 6 . 1 1 119 119 THR HA H 118 4.315 4.315 4.193 0.122 18277 4941 1 6 . 1 1 119 119 THR C C 118 175.349 175.349 175.832 -0.483 18277 4942 1 6 . 1 1 119 119 THR CA C 118 66.029 66.029 66.396 -0.367 18277 4943 1 6 . 1 1 119 119 THR CB C 118 69.654 69.654 69.291 0.363 18277 4944 1 6 . 1 1 119 119 THR H H 118 7.712 7.712 7.810 -0.098 18277 4945 1 6 . 1 1 120 120 ASP N N 119 120.938 120.938 121.013 -0.075 18277 4946 1 6 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.793 -0.260 18277 4947 1 6 . 1 1 120 120 ASP C C 119 177.991 177.991 177.385 0.606 18277 4948 1 6 . 1 1 120 120 ASP CA C 119 56.906 56.906 56.886 0.020 18277 4949 1 6 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.928 0.009 18277 4950 1 6 . 1 1 120 120 ASP H H 119 8.730 8.730 8.589 0.141 18277 4951 1 6 . 1 1 121 121 ALA N N 120 122.818 122.818 119.354 3.464 18277 4952 1 6 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.295 -0.117 18277 4953 1 6 . 1 1 121 121 ALA C C 120 178.787 178.787 178.614 0.173 18277 4954 1 6 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.600 0.291 18277 4955 1 6 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.607 -0.136 18277 4956 1 6 . 1 1 121 121 ALA H H 120 8.033 8.033 8.184 -0.151 18277 4957 1 6 . 1 1 122 122 ASN N N 121 116.085 116.085 117.149 -1.064 18277 4958 1 6 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.589 0.045 18277 4959 1 6 . 1 1 122 122 ASN C C 121 176.235 176.235 176.681 -0.446 18277 4960 1 6 . 1 1 122 122 ASN CA C 121 54.496 54.496 55.044 -0.548 18277 4961 1 6 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.249 -0.360 18277 4962 1 6 . 1 1 122 122 ASN H H 121 8.128 8.128 8.065 0.063 18277 4963 1 6 . 1 1 123 123 VAL N N 122 117.803 117.803 118.356 -0.553 18277 4964 1 6 . 1 1 123 123 VAL HA H 122 3.962 3.962 4.092 -0.130 18277 4965 1 6 . 1 1 123 123 VAL C C 122 176.973 176.973 176.242 0.731 18277 4966 1 6 . 1 1 123 123 VAL CA C 122 63.916 63.916 63.349 0.567 18277 4967 1 6 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.847 0.048 18277 4968 1 6 . 1 1 123 123 VAL H H 122 8.262 8.262 7.780 0.482 18277 4969 1 6 . 1 1 124 124 GLY N N 123 110.472 110.472 108.917 1.555 18277 4970 1 6 . 1 1 124 124 GLY C C 123 174.107 174.107 175.022 -0.915 18277 4971 1 6 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.532 -1.131 18277 4972 1 6 . 1 1 124 124 GLY H H 123 8.172 8.172 8.098 0.074 18277 4973 1 6 . 1 1 125 125 SER N N 124 113.065 113.065 115.033 -1.968 18277 4974 1 6 . 1 1 125 125 SER HA H 124 4.529 4.529 4.496 0.033 18277 4975 1 6 . 1 1 125 125 SER C C 124 174.664 174.664 174.488 0.176 18277 4976 1 6 . 1 1 125 125 SER CA C 124 58.981 58.981 59.692 -0.711 18277 4977 1 6 . 1 1 125 125 SER CB C 124 64.492 64.492 64.195 0.297 18277 4978 1 6 . 1 1 125 125 SER H H 124 8.139 8.139 8.334 -0.195 18277 4979 1 6 . 1 1 126 126 ASP N N 125 121.312 121.312 119.084 2.228 18277 4980 1 6 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.842 -0.135 18277 4981 1 6 . 1 1 126 126 ASP C C 125 177.029 177.029 175.359 1.670 18277 4982 1 6 . 1 1 126 126 ASP CA C 125 54.232 54.232 53.638 0.594 18277 4983 1 6 . 1 1 126 126 ASP CB C 125 40.878 40.878 43.062 -2.184 18277 4984 1 6 . 1 1 126 126 ASP H H 125 8.146 8.146 8.320 -0.174 18277 4985 1 6 . 1 1 127 127 VAL N N 126 123.444 123.444 121.649 1.795 18277 4986 1 6 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.806 0.020 18277 4987 1 6 . 1 1 127 127 VAL C C 126 177.304 177.304 177.751 -0.447 18277 4988 1 6 . 1 1 127 127 VAL CA C 126 65.899 65.899 65.159 0.740 18277 4989 1 6 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.922 0.300 18277 4990 1 6 . 1 1 127 127 VAL H H 126 8.474 8.474 8.521 -0.047 18277 4991 1 6 . 1 1 128 128 GLU N N 127 120.874 120.874 120.033 0.841 18277 4992 1 6 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.190 -0.257 18277 4993 1 6 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.773 -0.113 18277 4994 1 6 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.377 -0.297 18277 4995 1 6 . 1 1 128 128 GLU H H 127 8.504 8.504 8.637 -0.133 18277 4996 1 6 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.898 -0.149 18277 4997 1 6 . 1 1 129 129 HIS C C 128 174.898 174.898 174.644 0.254 18277 4998 1 6 . 1 1 129 129 HIS CA C 128 56.448 56.448 53.963 2.485 18277 4999 1 6 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.629 0.416 18277 5000 1 6 . 1 1 130 130 TYR N N 129 122.615 122.615 122.581 0.034 18277 5001 1 6 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.311 -0.311 18277 5002 1 6 . 1 1 130 130 TYR C C 129 178.544 178.544 176.523 2.021 18277 5003 1 6 . 1 1 130 130 TYR CA C 129 62.108 62.108 62.529 -0.421 18277 5004 1 6 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.930 0.612 18277 5005 1 6 . 1 1 130 130 TYR H H 129 8.118 8.118 7.785 0.333 18277 5006 1 6 . 1 1 131 131 LEU N N 130 116.037 116.037 118.548 -2.511 18277 5007 1 6 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.294 0.055 18277 5008 1 6 . 1 1 131 131 LEU C C 130 179.368 179.368 179.293 0.075 18277 5009 1 6 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.868 0.948 18277 5010 1 6 . 1 1 131 131 LEU CB C 130 41.369 41.369 41.048 0.321 18277 5011 1 6 . 1 1 131 131 LEU H H 130 9.092 9.092 8.481 0.611 18277 5012 1 6 . 1 1 132 132 THR N N 131 113.629 113.629 107.554 6.075 18277 5013 1 6 . 1 1 132 132 THR HA H 131 4.007 4.007 4.196 -0.189 18277 5014 1 6 . 1 1 132 132 THR C C 131 177.255 177.255 176.320 0.935 18277 5015 1 6 . 1 1 132 132 THR CA C 131 66.505 66.505 65.211 1.294 18277 5016 1 6 . 1 1 132 132 THR CB C 131 68.052 68.052 68.885 -0.833 18277 5017 1 6 . 1 1 132 132 THR H H 131 8.129 8.129 7.973 0.156 18277 5018 1 6 . 1 1 133 133 ARG N N 132 124.720 124.720 121.532 3.188 18277 5019 1 6 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.346 -0.230 18277 5020 1 6 . 1 1 133 133 ARG C C 132 178.921 178.921 178.012 0.909 18277 5021 1 6 . 1 1 133 133 ARG CA C 132 60.037 60.037 57.184 2.853 18277 5022 1 6 . 1 1 133 133 ARG CB C 132 30.274 30.274 29.524 0.750 18277 5023 1 6 . 1 1 133 133 ARG H H 132 8.187 8.187 8.129 0.058 18277 5024 1 6 . 1 1 134 134 TRP N N 133 120.307 120.307 120.991 -0.684 18277 5025 1 6 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.402 -0.175 18277 5026 1 6 . 1 1 134 134 TRP C C 133 177.823 177.823 177.265 0.558 18277 5027 1 6 . 1 1 134 134 TRP CA C 133 62.470 62.470 60.742 1.728 18277 5028 1 6 . 1 1 134 134 TRP CB C 133 28.755 28.755 29.788 -1.033 18277 5029 1 6 . 1 1 134 134 TRP H H 133 9.167 9.167 8.721 0.446 18277 5030 1 6 . 1 1 135 135 ILE N N 134 117.595 117.595 120.322 -2.727 18277 5031 1 6 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.820 -0.237 18277 5032 1 6 . 1 1 135 135 ILE C C 134 176.333 176.333 177.200 -0.867 18277 5033 1 6 . 1 1 135 135 ILE CA C 134 60.708 60.708 62.206 -1.498 18277 5034 1 6 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.809 -1.676 18277 5035 1 6 . 1 1 135 135 ILE H H 134 9.000 9.000 7.608 1.392 18277 5036 1 6 . 1 1 136 136 SER N N 135 116.548 116.548 115.121 1.427 18277 5037 1 6 . 1 1 136 136 SER HA H 135 3.931 3.931 3.925 0.006 18277 5038 1 6 . 1 1 136 136 SER C C 135 174.339 174.339 176.169 -1.830 18277 5039 1 6 . 1 1 136 136 SER CA C 135 62.535 62.535 61.153 1.382 18277 5040 1 6 . 1 1 136 136 SER CB C 135 62.820 62.820 63.011 -0.191 18277 5041 1 6 . 1 1 136 136 SER H H 135 7.592 7.592 8.212 -0.620 18277 5042 1 6 . 1 1 137 137 LEU N N 136 119.693 119.693 118.186 1.507 18277 5043 1 6 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.149 0.048 18277 5044 1 6 . 1 1 137 137 LEU C C 136 178.376 178.376 177.358 1.018 18277 5045 1 6 . 1 1 137 137 LEU CA C 136 57.116 57.116 57.311 -0.195 18277 5046 1 6 . 1 1 137 137 LEU CB C 136 42.988 42.988 41.486 1.502 18277 5047 1 6 . 1 1 137 137 LEU H H 136 7.247 7.247 7.392 -0.145 18277 5048 1 6 . 1 1 138 138 TYR N N 137 116.295 116.295 116.143 0.152 18277 5049 1 6 . 1 1 138 138 TYR HA H 137 3.644 3.644 3.957 -0.313 18277 5050 1 6 . 1 1 138 138 TYR C C 137 178.142 178.142 177.291 0.851 18277 5051 1 6 . 1 1 138 138 TYR CA C 137 61.396 61.396 58.933 2.463 18277 5052 1 6 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.405 -0.498 18277 5053 1 6 . 1 1 138 138 TYR H H 137 8.057 8.057 6.988 1.069 18277 5054 1 6 . 1 1 139 139 ILE N N 138 117.755 117.755 121.646 -3.891 18277 5055 1 6 . 1 1 139 139 ILE HA H 138 3.818 3.818 3.864 -0.046 18277 5056 1 6 . 1 1 139 139 ILE C C 138 176.943 176.943 176.484 0.459 18277 5057 1 6 . 1 1 139 139 ILE CA C 138 61.684 61.684 60.449 1.235 18277 5058 1 6 . 1 1 139 139 ILE CB C 138 36.768 36.768 37.225 -0.457 18277 5059 1 6 . 1 1 139 139 ILE H H 138 8.371 8.371 8.432 -0.061 18277 5060 1 6 . 1 1 140 140 ARG N N 139 118.103 118.103 118.598 -0.495 18277 5061 1 6 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.322 -0.247 18277 5062 1 6 . 1 1 140 140 ARG C C 139 176.776 176.776 176.944 -0.168 18277 5063 1 6 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.182 -0.653 18277 5064 1 6 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.908 -0.067 18277 5065 1 6 . 1 1 140 140 ARG H H 139 6.762 6.762 7.808 -1.046 18277 5066 1 6 . 1 1 141 141 ILE N N 140 117.603 117.603 118.079 -0.476 18277 5067 1 6 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.961 -0.190 18277 5068 1 6 . 1 1 141 141 ILE C C 140 176.448 176.448 176.167 0.281 18277 5069 1 6 . 1 1 141 141 ILE CA C 140 63.370 63.370 62.615 0.755 18277 5070 1 6 . 1 1 141 141 ILE CB C 140 38.819 38.819 38.102 0.717 18277 5071 1 6 . 1 1 141 141 ILE H H 140 7.056 7.056 7.140 -0.084 18277 5072 1 6 . 1 1 142 142 PHE N N 141 114.969 114.969 118.107 -3.138 18277 5073 1 6 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.556 -0.162 18277 5074 1 6 . 1 1 142 142 PHE C C 141 175.503 175.503 175.023 0.480 18277 5075 1 6 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.687 -0.561 18277 5076 1 6 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.717 -1.279 18277 5077 1 6 . 1 1 142 142 PHE H H 141 7.287 7.287 7.461 -0.174 18277 5078 1 6 . 1 1 143 143 ASP N N 142 116.492 116.492 117.461 -0.969 18277 5079 1 6 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.894 -0.149 18277 5080 1 6 . 1 1 143 143 ASP C C 142 175.131 175.131 175.512 -0.381 18277 5081 1 6 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.736 0.277 18277 5082 1 6 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.903 0.093 18277 5083 1 6 . 1 1 143 143 ASP H H 142 7.697 7.697 8.052 -0.355 18277 5084 1 6 . 1 1 144 144 LEU N N 143 126.435 126.435 122.268 4.167 18277 5085 1 6 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.320 -0.134 18277 5086 1 6 . 1 1 144 144 LEU C C 143 177.297 177.297 176.813 0.484 18277 5087 1 6 . 1 1 144 144 LEU CA C 143 56.940 56.940 56.149 0.791 18277 5088 1 6 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.957 0.652 18277 5089 1 6 . 1 1 144 144 LEU H H 143 8.790 8.790 8.671 0.119 18277 5090 1 6 . 1 1 145 145 ASN N N 144 114.711 114.711 116.335 -1.624 18277 5091 1 6 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.719 0.104 18277 5092 1 6 . 1 1 145 145 ASN C C 144 174.879 174.879 174.453 0.426 18277 5093 1 6 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.540 -0.389 18277 5094 1 6 . 1 1 145 145 ASN CB C 144 39.695 39.695 39.607 0.088 18277 5095 1 6 . 1 1 145 145 ASN H H 144 8.569 8.569 7.998 0.571 18277 5096 1 6 . 1 1 146 146 PHE N N 145 121.472 121.472 121.097 0.375 18277 5097 1 6 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.573 -0.064 18277 5098 1 6 . 1 1 146 146 PHE C C 145 173.397 173.397 173.239 0.158 18277 5099 1 6 . 1 1 146 146 PHE CA C 145 57.895 57.895 56.535 1.360 18277 5100 1 6 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.824 0.163 18277 5101 1 6 . 1 1 146 146 PHE H H 145 7.214 7.214 7.929 -0.715 18277 5102 1 6 . 1 1 147 147 VAL N N 146 128.813 128.813 123.993 4.820 18277 5103 1 6 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.391 -0.319 18277 5104 1 6 . 1 1 147 147 VAL CA C 146 58.698 58.698 58.437 0.261 18277 5105 1 6 . 1 1 147 147 VAL CB C 146 33.469 33.469 32.077 1.392 18277 5106 1 6 . 1 1 147 147 VAL H H 146 7.666 7.666 8.305 -0.639 18277 5107 1 7 . 1 1 2 2 MET N N 1 121.461 121.461 119.204 2.257 18277 5108 1 7 . 1 1 2 2 MET HA H 1 4.581 4.581 4.796 -0.215 18277 5109 1 7 . 1 1 2 2 MET C C 1 175.184 175.184 176.540 -1.356 18277 5110 1 7 . 1 1 2 2 MET CA C 1 55.447 55.447 54.377 1.070 18277 5111 1 7 . 1 1 2 2 MET CB C 1 34.107 34.107 34.312 -0.205 18277 5112 1 7 . 1 1 2 2 MET H H 1 8.431 8.431 8.524 -0.093 18277 5113 1 7 . 1 1 3 3 LEU N N 2 123.575 123.575 124.616 -1.041 18277 5114 1 7 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.184 0.286 18277 5115 1 7 . 1 1 3 3 LEU C C 2 176.479 176.479 175.940 0.539 18277 5116 1 7 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.677 -1.133 18277 5117 1 7 . 1 1 3 3 LEU CB C 2 43.200 43.200 42.192 1.008 18277 5118 1 7 . 1 1 3 3 LEU H H 2 8.678 8.678 7.424 1.254 18277 5119 1 7 . 1 1 4 4 THR N N 3 119.326 119.326 116.543 2.783 18277 5120 1 7 . 1 1 4 4 THR HA H 3 4.398 4.398 4.418 -0.020 18277 5121 1 7 . 1 1 4 4 THR C C 3 173.920 173.920 175.545 -1.625 18277 5122 1 7 . 1 1 4 4 THR CA C 3 61.025 61.025 60.601 0.424 18277 5123 1 7 . 1 1 4 4 THR CB C 3 71.090 71.090 70.211 0.879 18277 5124 1 7 . 1 1 4 4 THR H H 3 8.541 8.541 7.587 0.954 18277 5125 1 7 . 1 1 5 5 LEU N N 4 122.107 122.107 119.795 2.312 18277 5126 1 7 . 1 1 5 5 LEU HA H 4 3.288 3.288 2.992 0.296 18277 5127 1 7 . 1 1 5 5 LEU CA C 4 59.092 59.092 57.916 1.176 18277 5128 1 7 . 1 1 5 5 LEU CB C 4 38.806 38.806 39.041 -0.235 18277 5129 1 7 . 1 1 5 5 LEU H H 4 8.777 8.777 8.507 0.270 18277 5130 1 7 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.337 0.009 18277 5131 1 7 . 1 1 6 6 PRO C C 5 179.812 179.812 177.613 2.199 18277 5132 1 7 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.864 1.396 18277 5133 1 7 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.079 -0.020 18277 5134 1 7 . 1 1 7 7 GLU N N 6 117.744 117.744 117.106 0.638 18277 5135 1 7 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.248 -0.222 18277 5136 1 7 . 1 1 7 7 GLU C C 6 178.359 178.359 177.551 0.808 18277 5137 1 7 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.608 0.494 18277 5138 1 7 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.320 -0.049 18277 5139 1 7 . 1 1 7 7 GLU H H 6 7.088 7.088 7.920 -0.832 18277 5140 1 7 . 1 1 8 8 TYR N N 7 120.825 120.825 119.758 1.067 18277 5141 1 7 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.337 -0.442 18277 5142 1 7 . 1 1 8 8 TYR C C 7 176.641 176.641 177.340 -0.699 18277 5143 1 7 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.701 1.818 18277 5144 1 7 . 1 1 8 8 TYR CB C 7 37.727 37.727 38.742 -1.014 18277 5145 1 7 . 1 1 8 8 TYR H H 7 8.310 8.310 7.737 0.573 18277 5146 1 7 . 1 1 9 9 ASN N N 8 118.086 118.086 118.626 -0.540 18277 5147 1 7 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.038 0.280 18277 5148 1 7 . 1 1 9 9 ASN C C 8 179.060 179.060 176.665 2.395 18277 5149 1 7 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.314 0.460 18277 5150 1 7 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.751 0.558 18277 5151 1 7 . 1 1 9 9 ASN H H 8 8.791 8.791 8.207 0.584 18277 5152 1 7 . 1 1 10 10 GLU N N 9 120.057 120.057 118.895 1.162 18277 5153 1 7 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.142 -0.029 18277 5154 1 7 . 1 1 10 10 GLU C C 9 177.853 177.853 176.864 0.989 18277 5155 1 7 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.642 -0.136 18277 5156 1 7 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.501 0.140 18277 5157 1 7 . 1 1 10 10 GLU H H 9 8.013 8.013 8.395 -0.382 18277 5158 1 7 . 1 1 11 11 GLN N N 10 116.468 116.468 117.286 -0.818 18277 5159 1 7 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.415 0.035 18277 5160 1 7 . 1 1 11 11 GLN C C 10 177.470 177.470 176.464 1.006 18277 5161 1 7 . 1 1 11 11 GLN CA C 10 56.997 56.997 56.164 0.833 18277 5162 1 7 . 1 1 11 11 GLN CB C 10 30.725 30.725 28.654 2.071 18277 5163 1 7 . 1 1 11 11 GLN H H 10 7.488 7.488 7.523 -0.035 18277 5164 1 7 . 1 1 12 12 ILE N N 11 124.393 124.393 121.594 2.799 18277 5165 1 7 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.709 0.119 18277 5166 1 7 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.932 -2.426 18277 5167 1 7 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.338 -1.080 18277 5168 1 7 . 1 1 12 12 ILE H H 11 7.605 7.605 6.893 0.712 18277 5169 1 7 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.448 -0.211 18277 5170 1 7 . 1 1 13 13 PRO C C 12 179.113 179.113 176.654 2.459 18277 5171 1 7 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.140 2.287 18277 5172 1 7 . 1 1 13 13 PRO CB C 12 31.077 31.077 31.153 -0.076 18277 5173 1 7 . 1 1 14 14 ASN N N 13 115.499 115.499 116.782 -1.283 18277 5174 1 7 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.702 -0.110 18277 5175 1 7 . 1 1 14 14 ASN C C 13 178.208 178.208 177.309 0.899 18277 5176 1 7 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.762 1.029 18277 5177 1 7 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.668 -0.624 18277 5178 1 7 . 1 1 14 14 ASN H H 13 7.793 7.793 7.912 -0.119 18277 5179 1 7 . 1 1 15 15 VAL N N 14 121.205 121.205 121.702 -0.497 18277 5180 1 7 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.724 -0.024 18277 5181 1 7 . 1 1 15 15 VAL C C 14 176.999 176.999 177.209 -0.210 18277 5182 1 7 . 1 1 15 15 VAL CA C 14 66.544 66.544 67.921 -1.377 18277 5183 1 7 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.967 -0.542 18277 5184 1 7 . 1 1 15 15 VAL H H 14 7.704 7.704 7.810 -0.106 18277 5185 1 7 . 1 1 16 16 ARG N N 15 121.067 121.067 119.156 1.911 18277 5186 1 7 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.103 -0.389 18277 5187 1 7 . 1 1 16 16 ARG C C 15 178.150 178.150 178.294 -0.144 18277 5188 1 7 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.374 1.146 18277 5189 1 7 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.553 0.662 18277 5190 1 7 . 1 1 16 16 ARG H H 15 8.855 8.855 7.687 1.168 18277 5191 1 7 . 1 1 17 17 SER N N 16 112.741 112.741 114.325 -1.584 18277 5192 1 7 . 1 1 17 17 SER HA H 16 4.245 4.245 4.347 -0.102 18277 5193 1 7 . 1 1 17 17 SER C C 16 177.177 177.177 175.677 1.500 18277 5194 1 7 . 1 1 17 17 SER CA C 16 61.756 61.756 60.673 1.083 18277 5195 1 7 . 1 1 17 17 SER CB C 16 62.785 62.785 63.114 -0.329 18277 5196 1 7 . 1 1 17 17 SER H H 16 7.987 7.987 8.161 -0.174 18277 5197 1 7 . 1 1 18 18 LEU N N 17 122.703 122.703 117.565 5.138 18277 5198 1 7 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.576 -0.319 18277 5199 1 7 . 1 1 18 18 LEU C C 17 179.350 179.350 179.073 0.277 18277 5200 1 7 . 1 1 18 18 LEU CA C 17 58.484 58.484 56.358 2.127 18277 5201 1 7 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.788 0.687 18277 5202 1 7 . 1 1 18 18 LEU H H 17 7.728 7.728 7.434 0.294 18277 5203 1 7 . 1 1 19 19 LEU N N 18 116.536 116.536 120.745 -4.209 18277 5204 1 7 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.299 -0.068 18277 5205 1 7 . 1 1 19 19 LEU C C 18 178.556 178.556 179.041 -0.485 18277 5206 1 7 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.883 -0.608 18277 5207 1 7 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.007 0.709 18277 5208 1 7 . 1 1 19 19 LEU H H 18 8.367 8.367 9.063 -0.696 18277 5209 1 7 . 1 1 20 20 THR N N 19 111.172 111.172 112.257 -1.085 18277 5210 1 7 . 1 1 20 20 THR HA H 19 4.072 4.072 3.979 0.093 18277 5211 1 7 . 1 1 20 20 THR C C 19 175.433 175.433 175.842 -0.409 18277 5212 1 7 . 1 1 20 20 THR CA C 19 65.421 65.421 65.362 0.059 18277 5213 1 7 . 1 1 20 20 THR CB C 19 69.541 69.541 67.982 1.559 18277 5214 1 7 . 1 1 20 20 THR H H 19 7.926 7.926 7.754 0.172 18277 5215 1 7 . 1 1 21 21 LYS N N 20 117.696 117.696 119.249 -1.553 18277 5216 1 7 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.056 0.295 18277 5217 1 7 . 1 1 21 21 LYS C C 20 176.229 176.229 177.282 -1.053 18277 5218 1 7 . 1 1 21 21 LYS CA C 20 56.514 56.514 57.200 -0.686 18277 5219 1 7 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.393 -0.044 18277 5220 1 7 . 1 1 21 21 LYS H H 20 7.350 7.350 7.694 -0.344 18277 5221 1 7 . 1 1 22 22 TRP N N 21 123.258 123.258 121.770 1.488 18277 5222 1 7 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.585 1.183 18277 5223 1 7 . 1 1 22 22 TRP C C 21 177.333 177.333 177.389 -0.056 18277 5224 1 7 . 1 1 22 22 TRP CA C 21 54.466 54.466 56.214 -1.748 18277 5225 1 7 . 1 1 22 22 TRP CB C 21 28.882 28.882 27.257 1.625 18277 5226 1 7 . 1 1 22 22 TRP H H 21 7.710 7.710 7.741 -0.031 18277 5227 1 7 . 1 1 23 23 ALA N N 22 133.336 133.336 129.787 3.549 18277 5228 1 7 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.034 0.112 18277 5229 1 7 . 1 1 23 23 ALA C C 22 177.467 177.467 177.360 0.107 18277 5230 1 7 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.933 0.922 18277 5231 1 7 . 1 1 23 23 ALA CB C 22 18.964 18.964 18.654 0.310 18277 5232 1 7 . 1 1 23 23 ALA H H 22 9.658 9.658 8.132 1.526 18277 5233 1 7 . 1 1 24 24 LYS N N 23 111.352 111.352 115.212 -3.860 18277 5234 1 7 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.006 -0.006 18277 5235 1 7 . 1 1 24 24 LYS C C 23 175.467 175.467 175.832 -0.365 18277 5236 1 7 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.213 -0.691 18277 5237 1 7 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.096 1.210 18277 5238 1 7 . 1 1 24 24 LYS H H 23 5.756 5.756 8.155 -2.399 18277 5239 1 7 . 1 1 25 25 VAL N N 24 119.937 119.937 119.540 0.397 18277 5240 1 7 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.597 -0.219 18277 5241 1 7 . 1 1 25 25 VAL C C 24 175.634 175.634 175.470 0.164 18277 5242 1 7 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.665 0.798 18277 5243 1 7 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.407 0.614 18277 5244 1 7 . 1 1 25 25 VAL H H 24 7.179 7.179 7.031 0.148 18277 5245 1 7 . 1 1 26 26 GLU N N 25 127.218 127.218 128.394 -1.176 18277 5246 1 7 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.287 0.121 18277 5247 1 7 . 1 1 26 26 GLU C C 25 176.448 176.448 176.162 0.286 18277 5248 1 7 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.975 0.001 18277 5249 1 7 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.394 0.012 18277 5250 1 7 . 1 1 26 26 GLU H H 25 9.017 9.017 8.738 0.279 18277 5251 1 7 . 1 1 27 27 ARG N N 26 117.397 117.397 119.983 -2.586 18277 5252 1 7 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.532 -0.005 18277 5253 1 7 . 1 1 27 27 ARG C C 26 173.508 173.508 174.303 -0.795 18277 5254 1 7 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.804 1.412 18277 5255 1 7 . 1 1 27 27 ARG CB C 26 33.963 33.963 31.765 2.198 18277 5256 1 7 . 1 1 27 27 ARG H H 26 7.521 7.521 7.442 0.079 18277 5257 1 7 . 1 1 28 28 ILE N N 27 123.297 123.297 126.442 -3.145 18277 5258 1 7 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.302 0.379 18277 5259 1 7 . 1 1 28 28 ILE C C 27 173.872 173.872 174.464 -0.592 18277 5260 1 7 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.486 0.604 18277 5261 1 7 . 1 1 28 28 ILE CB C 27 40.685 40.685 37.783 2.902 18277 5262 1 7 . 1 1 28 28 ILE H H 27 8.662 8.662 8.591 0.071 18277 5263 1 7 . 1 1 29 29 GLN N N 28 125.810 125.810 125.910 -0.100 18277 5264 1 7 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.601 0.151 18277 5265 1 7 . 1 1 29 29 GLN C C 28 174.329 174.329 174.038 0.291 18277 5266 1 7 . 1 1 29 29 GLN CA C 28 54.069 54.069 53.924 0.145 18277 5267 1 7 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.620 -0.678 18277 5268 1 7 . 1 1 29 29 GLN H H 28 9.282 9.282 8.896 0.386 18277 5269 1 7 . 1 1 30 30 ASP N N 29 125.001 125.001 121.786 3.215 18277 5270 1 7 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.824 0.062 18277 5271 1 7 . 1 1 30 30 ASP C C 29 175.522 175.522 174.981 0.541 18277 5272 1 7 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.338 3.118 18277 5273 1 7 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.882 -2.559 18277 5274 1 7 . 1 1 30 30 ASP H H 29 8.666 8.666 8.420 0.246 18277 5275 1 7 . 1 1 31 31 VAL N N 30 116.978 116.978 118.227 -1.249 18277 5276 1 7 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.661 -0.017 18277 5277 1 7 . 1 1 31 31 VAL C C 30 175.448 175.448 174.829 0.619 18277 5278 1 7 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.566 -0.388 18277 5279 1 7 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.757 0.367 18277 5280 1 7 . 1 1 31 31 VAL H H 30 7.784 7.784 8.294 -0.510 18277 5281 1 7 . 1 1 32 32 GLN N N 31 121.763 121.763 122.213 -0.450 18277 5282 1 7 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.273 -0.240 18277 5283 1 7 . 1 1 32 32 GLN C C 31 176.620 176.620 175.778 0.842 18277 5284 1 7 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.095 1.088 18277 5285 1 7 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.047 -0.004 18277 5286 1 7 . 1 1 32 32 GLN H H 31 8.515 8.515 8.688 -0.173 18277 5287 1 7 . 1 1 33 33 ASP N N 32 121.199 121.199 119.492 1.707 18277 5288 1 7 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.519 0.456 18277 5289 1 7 . 1 1 33 33 ASP C C 32 176.998 176.998 174.928 2.070 18277 5290 1 7 . 1 1 33 33 ASP CA C 32 55.528 55.528 55.095 0.433 18277 5291 1 7 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.349 1.310 18277 5292 1 7 . 1 1 33 33 ASP H H 32 9.134 9.134 8.288 0.846 18277 5293 1 7 . 1 1 34 34 GLY N N 33 106.691 106.691 102.801 3.890 18277 5294 1 7 . 1 1 34 34 GLY C C 33 171.453 171.453 171.864 -0.411 18277 5295 1 7 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.834 1.531 18277 5296 1 7 . 1 1 34 34 GLY H H 33 8.104 8.104 7.747 0.357 18277 5297 1 7 . 1 1 35 35 LEU N N 34 119.801 119.801 119.693 0.108 18277 5298 1 7 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.665 0.618 18277 5299 1 7 . 1 1 35 35 LEU C C 34 174.568 174.568 174.198 0.370 18277 5300 1 7 . 1 1 35 35 LEU CA C 34 53.568 53.568 54.948 -1.380 18277 5301 1 7 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.195 2.077 18277 5302 1 7 . 1 1 35 35 LEU H H 34 8.491 8.491 8.343 0.148 18277 5303 1 7 . 1 1 36 36 GLN N N 35 121.349 121.349 123.923 -2.574 18277 5304 1 7 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.364 -0.147 18277 5305 1 7 . 1 1 36 36 GLN C C 35 174.530 174.530 174.354 0.176 18277 5306 1 7 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.116 0.648 18277 5307 1 7 . 1 1 36 36 GLN CB C 35 31.480 31.480 30.482 0.998 18277 5308 1 7 . 1 1 36 36 GLN H H 35 8.992 8.992 8.835 0.157 18277 5309 1 7 . 1 1 37 37 LEU N N 36 126.882 126.882 126.992 -0.110 18277 5310 1 7 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.352 0.006 18277 5311 1 7 . 1 1 37 37 LEU C C 36 174.519 174.519 175.586 -1.067 18277 5312 1 7 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.154 1.777 18277 5313 1 7 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.588 0.663 18277 5314 1 7 . 1 1 37 37 LEU H H 36 9.826 9.826 9.348 0.478 18277 5315 1 7 . 1 1 38 38 ASP N N 37 122.748 122.748 122.557 0.191 18277 5316 1 7 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.929 0.520 18277 5317 1 7 . 1 1 38 38 ASP C C 37 175.197 175.197 174.764 0.433 18277 5318 1 7 . 1 1 38 38 ASP CA C 37 53.379 53.379 52.977 0.403 18277 5319 1 7 . 1 1 38 38 ASP CB C 37 42.062 42.062 42.177 -0.115 18277 5320 1 7 . 1 1 38 38 ASP H H 37 8.556 8.556 8.488 0.068 18277 5321 1 7 . 1 1 39 39 VAL N N 38 124.835 124.835 125.206 -0.371 18277 5322 1 7 . 1 1 39 39 VAL HA H 38 4.141 4.141 4.102 0.039 18277 5323 1 7 . 1 1 39 39 VAL C C 38 174.081 174.081 175.060 -0.979 18277 5324 1 7 . 1 1 39 39 VAL CA C 38 60.442 60.442 60.574 -0.132 18277 5325 1 7 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.229 2.365 18277 5326 1 7 . 1 1 39 39 VAL H H 38 9.495 9.495 8.355 1.140 18277 5327 1 7 . 1 1 40 40 ARG N N 39 131.221 131.221 127.103 4.118 18277 5328 1 7 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.657 -0.141 18277 5329 1 7 . 1 1 40 40 ARG C C 39 174.144 174.144 175.854 -1.710 18277 5330 1 7 . 1 1 40 40 ARG CA C 39 53.504 53.504 54.212 -0.708 18277 5331 1 7 . 1 1 40 40 ARG CB C 39 28.119 28.119 29.442 -1.323 18277 5332 1 7 . 1 1 40 40 ARG H H 39 9.046 9.046 8.582 0.464 18277 5333 1 7 . 1 1 41 41 LEU N N 40 129.501 129.501 125.372 4.129 18277 5334 1 7 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.188 -0.162 18277 5335 1 7 . 1 1 41 41 LEU C C 40 176.934 176.934 177.193 -0.259 18277 5336 1 7 . 1 1 41 41 LEU CA C 40 57.863 57.863 56.980 0.883 18277 5337 1 7 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.488 1.260 18277 5338 1 7 . 1 1 41 41 LEU H H 40 7.786 7.786 8.482 -0.696 18277 5339 1 7 . 1 1 42 42 LYS N N 41 112.553 112.553 116.110 -3.557 18277 5340 1 7 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.514 0.180 18277 5341 1 7 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.208 -1.029 18277 5342 1 7 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.194 0.809 18277 5343 1 7 . 1 1 42 42 LYS H H 41 8.313 8.313 7.290 1.022 18277 5344 1 7 . 1 1 43 43 THR HA H 42 3.860 3.860 4.022 -0.162 18277 5345 1 7 . 1 1 43 43 THR C C 42 174.883 174.883 173.947 0.936 18277 5346 1 7 . 1 1 43 43 THR CA C 42 66.494 66.494 65.724 0.770 18277 5347 1 7 . 1 1 43 43 THR CB C 42 68.508 68.508 69.076 -0.568 18277 5348 1 7 . 1 1 44 44 ASP N N 43 114.795 114.795 116.917 -2.122 18277 5349 1 7 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.801 0.028 18277 5350 1 7 . 1 1 44 44 ASP C C 43 176.791 176.791 174.779 2.012 18277 5351 1 7 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.431 -0.510 18277 5352 1 7 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.460 0.610 18277 5353 1 7 . 1 1 44 44 ASP H H 43 7.759 7.759 8.031 -0.272 18277 5354 1 7 . 1 1 45 45 THR N N 44 115.323 115.323 115.978 -0.655 18277 5355 1 7 . 1 1 45 45 THR HA H 44 5.303 5.303 5.019 0.284 18277 5356 1 7 . 1 1 45 45 THR C C 44 171.480 171.480 173.069 -1.589 18277 5357 1 7 . 1 1 45 45 THR CA C 44 62.732 62.732 61.171 1.561 18277 5358 1 7 . 1 1 45 45 THR CB C 44 72.378 72.378 72.493 -0.115 18277 5359 1 7 . 1 1 45 45 THR H H 44 7.551 7.551 8.137 -0.586 18277 5360 1 7 . 1 1 46 46 LEU N N 45 130.323 130.323 126.276 4.047 18277 5361 1 7 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.058 -0.104 18277 5362 1 7 . 1 1 46 46 LEU C C 45 174.048 174.048 173.737 0.311 18277 5363 1 7 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.913 -0.556 18277 5364 1 7 . 1 1 46 46 LEU CB C 45 45.735 45.735 45.969 -0.234 18277 5365 1 7 . 1 1 46 46 LEU H H 45 9.590 9.590 8.618 0.972 18277 5366 1 7 . 1 1 47 47 LEU N N 46 127.468 127.468 127.335 0.133 18277 5367 1 7 . 1 1 47 47 LEU HA H 46 5.150 5.150 4.912 0.238 18277 5368 1 7 . 1 1 47 47 LEU C C 46 173.309 173.309 174.900 -1.591 18277 5369 1 7 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.588 -0.001 18277 5370 1 7 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.768 1.354 18277 5371 1 7 . 1 1 47 47 LEU H H 46 9.673 9.673 9.150 0.523 18277 5372 1 7 . 1 1 48 48 GLU N N 47 131.371 131.371 127.862 3.509 18277 5373 1 7 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.680 0.542 18277 5374 1 7 . 1 1 48 48 GLU C C 47 173.970 173.970 174.619 -0.649 18277 5375 1 7 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.386 -1.713 18277 5376 1 7 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.252 1.658 18277 5377 1 7 . 1 1 48 48 GLU H H 47 9.400 9.400 8.547 0.853 18277 5378 1 7 . 1 1 49 49 LEU N N 48 129.742 129.742 127.397 2.345 18277 5379 1 7 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.566 0.421 18277 5380 1 7 . 1 1 49 49 LEU C C 48 174.115 174.115 174.974 -0.859 18277 5381 1 7 . 1 1 49 49 LEU CA C 48 54.673 54.673 53.911 0.762 18277 5382 1 7 . 1 1 49 49 LEU CB C 48 45.638 45.638 43.085 2.553 18277 5383 1 7 . 1 1 49 49 LEU H H 48 9.433 9.433 8.930 0.503 18277 5384 1 7 . 1 1 50 50 HIS N N 49 126.356 126.356 126.768 -0.412 18277 5385 1 7 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.611 -0.191 18277 5386 1 7 . 1 1 50 50 HIS C C 49 174.293 174.293 174.650 -0.357 18277 5387 1 7 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.448 2.178 18277 5388 1 7 . 1 1 50 50 HIS CB C 49 33.850 33.850 31.687 2.163 18277 5389 1 7 . 1 1 50 50 HIS H H 49 9.575 9.575 9.328 0.247 18277 5390 1 7 . 1 1 51 51 ILE N N 50 123.679 123.679 126.727 -3.048 18277 5391 1 7 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.707 0.539 18277 5392 1 7 . 1 1 51 51 ILE C C 50 175.021 175.021 174.452 0.569 18277 5393 1 7 . 1 1 51 51 ILE CA C 50 60.592 60.592 60.019 0.573 18277 5394 1 7 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.412 1.359 18277 5395 1 7 . 1 1 51 51 ILE H H 50 8.991 8.991 8.719 0.272 18277 5396 1 7 . 1 1 52 52 TYR N N 51 126.281 126.281 125.998 0.283 18277 5397 1 7 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.450 0.021 18277 5398 1 7 . 1 1 52 52 TYR C C 51 171.145 171.145 172.710 -1.565 18277 5399 1 7 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.461 0.151 18277 5400 1 7 . 1 1 52 52 TYR CB C 51 41.121 41.121 41.151 -0.030 18277 5401 1 7 . 1 1 52 52 TYR H H 51 9.189 9.189 8.267 0.922 18277 5402 1 7 . 1 1 53 53 TYR N N 52 120.025 120.025 121.153 -1.128 18277 5403 1 7 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.270 -0.463 18277 5404 1 7 . 1 1 53 53 TYR C C 52 173.874 173.874 173.647 0.227 18277 5405 1 7 . 1 1 53 53 TYR CA C 52 56.962 56.962 56.296 0.666 18277 5406 1 7 . 1 1 53 53 TYR CB C 52 39.544 39.544 40.407 -0.863 18277 5407 1 7 . 1 1 53 53 TYR H H 52 7.985 7.985 8.295 -0.310 18277 5408 1 7 . 1 1 54 54 ASP N N 53 127.411 127.411 123.096 4.315 18277 5409 1 7 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.776 -0.083 18277 5410 1 7 . 1 1 54 54 ASP C C 53 175.962 175.962 175.373 0.589 18277 5411 1 7 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.340 1.637 18277 5412 1 7 . 1 1 54 54 ASP CB C 53 43.028 43.028 43.722 -0.694 18277 5413 1 7 . 1 1 54 54 ASP H H 53 7.449 7.449 8.031 -0.582 18277 5414 1 7 . 1 1 55 55 HIS N N 54 124.486 124.486 122.772 1.714 18277 5415 1 7 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.482 -0.503 18277 5416 1 7 . 1 1 55 55 HIS C C 54 175.406 175.406 175.151 0.255 18277 5417 1 7 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.533 2.084 18277 5418 1 7 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.303 2.114 18277 5419 1 7 . 1 1 55 55 HIS H H 54 8.512 8.512 8.738 -0.226 18277 5420 1 7 . 1 1 56 56 VAL N N 55 120.625 120.625 120.439 0.186 18277 5421 1 7 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.798 -0.262 18277 5422 1 7 . 1 1 56 56 VAL C C 55 177.379 177.379 176.483 0.896 18277 5423 1 7 . 1 1 56 56 VAL CA C 55 65.174 65.174 65.986 -0.812 18277 5424 1 7 . 1 1 56 56 VAL CB C 55 31.274 31.274 32.237 -0.963 18277 5425 1 7 . 1 1 56 56 VAL H H 55 8.397 8.397 8.562 -0.165 18277 5426 1 7 . 1 1 57 57 TYR N N 56 115.771 115.771 115.611 0.160 18277 5427 1 7 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.592 -0.326 18277 5428 1 7 . 1 1 57 57 TYR C C 56 174.645 174.645 175.281 -0.636 18277 5429 1 7 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.380 1.347 18277 5430 1 7 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.690 -0.124 18277 5431 1 7 . 1 1 57 57 TYR H H 56 7.641 7.641 7.606 0.035 18277 5432 1 7 . 1 1 58 58 HIS N N 57 116.177 116.177 116.454 -0.277 18277 5433 1 7 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.142 -0.395 18277 5434 1 7 . 1 1 58 58 HIS C C 57 172.860 172.860 173.139 -0.279 18277 5435 1 7 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.041 -0.393 18277 5436 1 7 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.091 -1.789 18277 5437 1 7 . 1 1 58 58 HIS H H 57 7.764 7.764 7.763 0.001 18277 5438 1 7 . 1 1 59 59 VAL N N 58 104.729 104.729 110.323 -5.594 18277 5439 1 7 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.530 0.170 18277 5440 1 7 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.476 -2.144 18277 5441 1 7 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.861 0.352 18277 5442 1 7 . 1 1 59 59 VAL H H 58 6.310 6.310 7.186 -0.876 18277 5443 1 7 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.204 0.141 18277 5444 1 7 . 1 1 60 60 PRO C C 59 174.254 174.254 175.415 -1.161 18277 5445 1 7 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.699 -0.109 18277 5446 1 7 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.467 -1.691 18277 5447 1 7 . 1 1 61 61 SER N N 60 116.530 116.530 112.966 3.564 18277 5448 1 7 . 1 1 61 61 SER HA H 60 4.899 4.899 4.727 0.172 18277 5449 1 7 . 1 1 61 61 SER CA C 60 57.691 57.691 56.698 0.993 18277 5450 1 7 . 1 1 61 61 SER CB C 60 66.483 66.483 64.810 1.673 18277 5451 1 7 . 1 1 61 61 SER H H 60 8.854 8.854 8.319 0.535 18277 5452 1 7 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.610 1.094 18277 5453 1 7 . 1 1 62 62 ILE C C 61 176.160 176.160 173.869 2.291 18277 5454 1 7 . 1 1 62 62 ILE CA C 61 59.918 59.918 60.939 -1.021 18277 5455 1 7 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.502 0.287 18277 5456 1 7 . 1 1 63 63 LYS N N 62 123.794 123.794 127.481 -3.687 18277 5457 1 7 . 1 1 63 63 LYS HA H 62 5.694 5.694 5.343 0.351 18277 5458 1 7 . 1 1 63 63 LYS C C 62 174.598 174.598 174.553 0.045 18277 5459 1 7 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.069 -0.561 18277 5460 1 7 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.968 -0.265 18277 5461 1 7 . 1 1 63 63 LYS H H 62 9.011 9.011 8.712 0.299 18277 5462 1 7 . 1 1 64 64 PHE N N 63 116.267 116.267 121.642 -5.375 18277 5463 1 7 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.262 1.051 18277 5464 1 7 . 1 1 64 64 PHE C C 63 173.139 173.139 173.339 -0.200 18277 5465 1 7 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.762 0.831 18277 5466 1 7 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.772 0.169 18277 5467 1 7 . 1 1 64 64 PHE H H 63 9.776 9.776 8.439 1.337 18277 5468 1 7 . 1 1 65 65 ARG N N 64 116.428 116.428 120.004 -3.576 18277 5469 1 7 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.914 -0.133 18277 5470 1 7 . 1 1 65 65 ARG C C 64 173.867 173.867 175.267 -1.400 18277 5471 1 7 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.657 1.100 18277 5472 1 7 . 1 1 65 65 ARG CB C 64 35.068 35.068 32.112 2.956 18277 5473 1 7 . 1 1 65 65 ARG H H 64 9.257 9.257 8.319 0.938 18277 5474 1 7 . 1 1 66 66 LEU N N 65 121.826 121.826 124.770 -2.944 18277 5475 1 7 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.278 1.171 18277 5476 1 7 . 1 1 66 66 LEU C C 65 174.002 174.002 176.832 -2.830 18277 5477 1 7 . 1 1 66 66 LEU CA C 65 53.826 53.826 56.169 -2.343 18277 5478 1 7 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.628 4.044 18277 5479 1 7 . 1 1 66 66 LEU H H 65 9.041 9.041 8.942 0.099 18277 5480 1 7 . 1 1 67 67 TRP N N 66 120.671 120.671 122.413 -1.742 18277 5481 1 7 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.137 0.186 18277 5482 1 7 . 1 1 67 67 TRP C C 66 175.763 175.763 175.379 0.384 18277 5483 1 7 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.409 -1.327 18277 5484 1 7 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.705 -0.534 18277 5485 1 7 . 1 1 67 67 TRP H H 66 9.366 9.366 8.830 0.536 18277 5486 1 7 . 1 1 68 68 SER N N 67 117.273 117.273 117.358 -0.085 18277 5487 1 7 . 1 1 68 68 SER HA H 67 5.297 5.297 5.081 0.216 18277 5488 1 7 . 1 1 68 68 SER C C 67 174.327 174.327 174.422 -0.095 18277 5489 1 7 . 1 1 68 68 SER CA C 67 56.883 56.883 56.173 0.710 18277 5490 1 7 . 1 1 68 68 SER CB C 67 65.230 65.230 63.378 1.852 18277 5491 1 7 . 1 1 68 68 SER H H 67 9.750 9.750 9.331 0.419 18277 5492 1 7 . 1 1 69 69 LEU N N 68 126.002 126.002 130.599 -4.597 18277 5493 1 7 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.493 0.265 18277 5494 1 7 . 1 1 69 69 LEU C C 68 176.022 176.022 176.614 -0.592 18277 5495 1 7 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.956 -1.577 18277 5496 1 7 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.594 0.776 18277 5497 1 7 . 1 1 69 69 LEU H H 68 8.119 8.119 7.931 0.188 18277 5498 1 7 . 1 1 70 70 ASP N N 69 124.828 124.828 125.729 -0.901 18277 5499 1 7 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.909 -0.128 18277 5500 1 7 . 1 1 70 70 ASP C C 69 176.396 176.396 175.731 0.665 18277 5501 1 7 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.805 0.578 18277 5502 1 7 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.974 -0.982 18277 5503 1 7 . 1 1 70 70 ASP H H 69 8.572 8.572 8.184 0.388 18277 5504 1 7 . 1 1 71 71 THR N N 70 114.913 114.913 115.783 -0.870 18277 5505 1 7 . 1 1 71 71 THR HA H 70 4.531 4.531 4.418 0.113 18277 5506 1 7 . 1 1 71 71 THR C C 70 174.451 174.451 175.148 -0.697 18277 5507 1 7 . 1 1 71 71 THR CA C 70 61.742 61.742 60.900 0.842 18277 5508 1 7 . 1 1 71 71 THR CB C 70 69.950 69.950 68.830 1.120 18277 5509 1 7 . 1 1 71 71 THR H H 70 8.403 8.403 8.551 -0.148 18277 5510 1 7 . 1 1 72 72 GLU N N 71 123.605 123.605 121.521 2.084 18277 5511 1 7 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.130 0.111 18277 5512 1 7 . 1 1 72 72 GLU C C 71 176.451 176.451 177.099 -0.648 18277 5513 1 7 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.923 -1.716 18277 5514 1 7 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.664 0.746 18277 5515 1 7 . 1 1 72 72 GLU H H 71 8.542 8.542 8.629 -0.087 18277 5516 1 7 . 1 1 73 73 GLU N N 72 119.641 119.641 116.691 2.950 18277 5517 1 7 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.371 -0.260 18277 5518 1 7 . 1 1 73 73 GLU C C 72 175.577 175.577 175.324 0.253 18277 5519 1 7 . 1 1 73 73 GLU CA C 72 57.097 57.097 55.971 1.127 18277 5520 1 7 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.093 -0.750 18277 5521 1 7 . 1 1 73 73 GLU H H 72 8.503 8.503 8.218 0.285 18277 5522 1 7 . 1 1 74 74 ASP N N 73 117.882 117.882 118.590 -0.708 18277 5523 1 7 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.344 0.227 18277 5524 1 7 . 1 1 74 74 ASP C C 73 176.077 176.077 175.428 0.649 18277 5525 1 7 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.215 -0.721 18277 5526 1 7 . 1 1 74 74 ASP CB C 73 40.938 40.938 38.840 2.098 18277 5527 1 7 . 1 1 74 74 ASP H H 73 8.228 8.228 8.346 -0.118 18277 5528 1 7 . 1 1 75 75 ILE N N 74 120.809 120.809 112.370 8.439 18277 5529 1 7 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.271 -0.062 18277 5530 1 7 . 1 1 75 75 ILE C C 74 175.939 175.939 175.982 -0.043 18277 5531 1 7 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.337 0.989 18277 5532 1 7 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.544 0.125 18277 5533 1 7 . 1 1 75 75 ILE H H 74 8.089 8.089 8.095 -0.006 18277 5534 1 7 . 1 1 76 76 SER N N 75 119.402 119.402 115.296 4.106 18277 5535 1 7 . 1 1 76 76 SER HA H 75 4.652 4.652 4.251 0.401 18277 5536 1 7 . 1 1 76 76 SER C C 75 174.313 174.313 174.149 0.164 18277 5537 1 7 . 1 1 76 76 SER CA C 75 58.778 58.778 58.574 0.204 18277 5538 1 7 . 1 1 76 76 SER CB C 75 63.860 63.860 62.680 1.180 18277 5539 1 7 . 1 1 76 76 SER H H 75 8.449 8.449 8.146 0.303 18277 5540 1 7 . 1 1 77 77 SER N N 76 118.644 118.644 115.279 3.365 18277 5541 1 7 . 1 1 77 77 SER HA H 76 4.588 4.588 4.511 0.077 18277 5542 1 7 . 1 1 77 77 SER C C 76 173.094 173.094 173.257 -0.163 18277 5543 1 7 . 1 1 77 77 SER CA C 76 57.772 57.772 58.363 -0.591 18277 5544 1 7 . 1 1 77 77 SER CB C 76 64.461 64.461 64.227 0.234 18277 5545 1 7 . 1 1 77 77 SER H H 76 8.280 8.280 7.687 0.593 18277 5546 1 7 . 1 1 78 78 LEU N N 77 123.896 123.896 114.606 9.290 18277 5547 1 7 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.165 -0.167 18277 5548 1 7 . 1 1 78 78 LEU C C 77 177.081 177.081 175.357 1.724 18277 5549 1 7 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.430 0.578 18277 5550 1 7 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.422 -1.401 18277 5551 1 7 . 1 1 78 78 LEU H H 77 7.981 7.981 8.218 -0.237 18277 5552 1 7 . 1 1 79 79 ARG N N 78 123.195 123.195 120.433 2.762 18277 5553 1 7 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.798 0.161 18277 5554 1 7 . 1 1 79 79 ARG C C 78 174.994 174.994 174.486 0.508 18277 5555 1 7 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.181 -0.517 18277 5556 1 7 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.322 -0.042 18277 5557 1 7 . 1 1 79 79 ARG H H 78 9.013 9.013 8.250 0.763 18277 5558 1 7 . 1 1 80 80 LEU N N 79 128.388 128.388 126.455 1.933 18277 5559 1 7 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.810 -0.032 18277 5560 1 7 . 1 1 80 80 LEU C C 79 177.216 177.216 175.981 1.235 18277 5561 1 7 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.855 0.194 18277 5562 1 7 . 1 1 80 80 LEU CB C 79 42.285 42.285 41.923 0.362 18277 5563 1 7 . 1 1 80 80 LEU H H 79 8.807 8.807 8.696 0.111 18277 5564 1 7 . 1 1 81 81 LEU N N 80 127.521 127.521 128.312 -0.791 18277 5565 1 7 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.623 -0.060 18277 5566 1 7 . 1 1 81 81 LEU C C 80 176.354 176.354 176.221 0.133 18277 5567 1 7 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.608 -0.447 18277 5568 1 7 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.304 0.106 18277 5569 1 7 . 1 1 81 81 LEU H H 80 8.478 8.478 8.318 0.160 18277 5570 1 7 . 1 1 82 82 THR N N 81 121.108 121.108 113.199 7.909 18277 5571 1 7 . 1 1 82 82 THR HA H 81 4.391 4.391 5.059 -0.668 18277 5572 1 7 . 1 1 82 82 THR C C 81 173.678 173.678 173.552 0.126 18277 5573 1 7 . 1 1 82 82 THR CA C 81 61.112 61.112 61.174 -0.062 18277 5574 1 7 . 1 1 82 82 THR CB C 81 68.941 68.941 69.899 -0.958 18277 5575 1 7 . 1 1 82 82 THR H H 81 8.735 8.735 8.061 0.674 18277 5576 1 7 . 1 1 83 83 LEU N N 82 125.276 125.276 123.748 1.528 18277 5577 1 7 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.937 -0.166 18277 5578 1 7 . 1 1 83 83 LEU C C 82 177.192 177.192 175.303 1.889 18277 5579 1 7 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.202 0.212 18277 5580 1 7 . 1 1 83 83 LEU CB C 82 44.525 44.525 44.608 -0.083 18277 5581 1 7 . 1 1 83 83 LEU H H 82 7.985 7.985 8.162 -0.177 18277 5582 1 7 . 1 1 84 84 SER N N 83 118.590 118.590 115.194 3.396 18277 5583 1 7 . 1 1 84 84 SER HA H 83 4.591 4.591 4.430 0.161 18277 5584 1 7 . 1 1 84 84 SER C C 83 174.317 174.317 175.216 -0.899 18277 5585 1 7 . 1 1 84 84 SER CA C 83 57.202 57.202 58.699 -1.497 18277 5586 1 7 . 1 1 84 84 SER CB C 83 65.345 65.345 63.925 1.420 18277 5587 1 7 . 1 1 84 84 SER H H 83 9.214 9.214 8.737 0.477 18277 5588 1 7 . 1 1 85 85 ASP N N 84 121.149 121.149 119.832 1.317 18277 5589 1 7 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.430 -0.087 18277 5590 1 7 . 1 1 85 85 ASP C C 84 178.027 178.027 178.263 -0.236 18277 5591 1 7 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.191 1.600 18277 5592 1 7 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.175 1.811 18277 5593 1 7 . 1 1 85 85 ASP H H 84 9.014 9.014 8.751 0.263 18277 5594 1 7 . 1 1 86 86 SER N N 85 111.874 111.874 115.477 -3.603 18277 5595 1 7 . 1 1 86 86 SER HA H 85 4.110 4.110 4.234 -0.124 18277 5596 1 7 . 1 1 86 86 SER C C 85 177.696 177.696 176.419 1.277 18277 5597 1 7 . 1 1 86 86 SER CA C 85 61.560 61.560 61.092 0.468 18277 5598 1 7 . 1 1 86 86 SER CB C 85 62.355 62.355 62.589 -0.234 18277 5599 1 7 . 1 1 86 86 SER H H 85 8.467 8.467 8.341 0.126 18277 5600 1 7 . 1 1 87 87 GLU N N 86 122.948 122.948 119.218 3.730 18277 5601 1 7 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.156 -0.079 18277 5602 1 7 . 1 1 87 87 GLU C C 86 180.335 180.335 178.075 2.260 18277 5603 1 7 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.727 0.309 18277 5604 1 7 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.363 1.456 18277 5605 1 7 . 1 1 87 87 GLU H H 86 7.660 7.660 8.473 -0.813 18277 5606 1 7 . 1 1 88 88 LEU N N 87 122.341 122.341 120.543 1.798 18277 5607 1 7 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.208 -0.325 18277 5608 1 7 . 1 1 88 88 LEU C C 87 178.818 178.818 178.048 0.770 18277 5609 1 7 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.085 0.989 18277 5610 1 7 . 1 1 88 88 LEU CB C 87 42.371 42.371 42.261 0.110 18277 5611 1 7 . 1 1 88 88 LEU H H 87 8.878 8.878 7.547 1.331 18277 5612 1 7 . 1 1 89 89 ARG N N 88 115.874 115.874 118.951 -3.077 18277 5613 1 7 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.073 0.053 18277 5614 1 7 . 1 1 89 89 ARG C C 88 176.552 176.552 177.617 -1.065 18277 5615 1 7 . 1 1 89 89 ARG CA C 88 58.720 58.720 57.855 0.865 18277 5616 1 7 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.657 0.128 18277 5617 1 7 . 1 1 89 89 ARG H H 88 7.956 7.956 8.318 -0.362 18277 5618 1 7 . 1 1 90 90 SER N N 89 112.295 112.295 113.214 -0.919 18277 5619 1 7 . 1 1 90 90 SER HA H 89 4.565 4.565 4.248 0.317 18277 5620 1 7 . 1 1 90 90 SER C C 89 174.817 174.817 175.474 -0.657 18277 5621 1 7 . 1 1 90 90 SER CA C 89 60.043 60.043 60.642 -0.598 18277 5622 1 7 . 1 1 90 90 SER CB C 89 63.858 63.858 63.147 0.711 18277 5623 1 7 . 1 1 90 90 SER H H 89 7.481 7.481 7.496 -0.015 18277 5624 1 7 . 1 1 91 91 ILE N N 90 116.577 116.577 114.674 1.903 18277 5625 1 7 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.326 0.112 18277 5626 1 7 . 1 1 91 91 ILE C C 90 174.636 174.636 175.627 -0.991 18277 5627 1 7 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.514 0.748 18277 5628 1 7 . 1 1 91 91 ILE CB C 90 40.609 40.609 39.151 1.458 18277 5629 1 7 . 1 1 91 91 ILE H H 90 7.372 7.372 7.398 -0.026 18277 5630 1 7 . 1 1 92 92 LEU N N 91 119.723 119.723 119.548 0.175 18277 5631 1 7 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.357 0.284 18277 5632 1 7 . 1 1 92 92 LEU C C 91 175.178 175.178 176.194 -1.016 18277 5633 1 7 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.250 -1.437 18277 5634 1 7 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.621 1.052 18277 5635 1 7 . 1 1 92 92 LEU H H 91 7.900 7.900 7.628 0.272 18277 5636 1 7 . 1 1 93 93 ASN N N 92 119.687 119.687 120.167 -0.480 18277 5637 1 7 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.870 0.113 18277 5638 1 7 . 1 1 93 93 ASN C C 92 174.978 174.978 174.832 0.146 18277 5639 1 7 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.069 -0.699 18277 5640 1 7 . 1 1 93 93 ASN CB C 92 37.731 37.731 38.528 -0.797 18277 5641 1 7 . 1 1 93 93 ASN H H 92 8.916 8.916 8.424 0.492 18277 5642 1 7 . 1 1 94 94 LEU N N 93 121.052 121.052 122.766 -1.714 18277 5643 1 7 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.233 -0.287 18277 5644 1 7 . 1 1 94 94 LEU C C 93 177.367 177.367 178.169 -0.802 18277 5645 1 7 . 1 1 94 94 LEU CA C 93 57.051 57.051 57.139 -0.088 18277 5646 1 7 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.014 0.758 18277 5647 1 7 . 1 1 94 94 LEU H H 93 8.172 8.172 8.374 -0.202 18277 5648 1 7 . 1 1 95 95 GLY N N 94 105.340 105.340 106.899 -1.559 18277 5649 1 7 . 1 1 95 95 GLY C C 94 176.133 176.133 175.682 0.451 18277 5650 1 7 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.004 0.345 18277 5651 1 7 . 1 1 95 95 GLY H H 94 8.281 8.281 8.384 -0.103 18277 5652 1 7 . 1 1 96 96 THR N N 95 117.040 117.040 119.171 -2.131 18277 5653 1 7 . 1 1 96 96 THR HA H 95 4.242 4.242 4.278 -0.036 18277 5654 1 7 . 1 1 96 96 THR C C 95 175.349 175.349 175.467 -0.118 18277 5655 1 7 . 1 1 96 96 THR CA C 95 61.859 61.859 62.414 -0.555 18277 5656 1 7 . 1 1 96 96 THR CB C 95 68.399 68.399 69.166 -0.767 18277 5657 1 7 . 1 1 96 96 THR H H 95 8.419 8.419 8.038 0.381 18277 5658 1 7 . 1 1 97 97 PHE N N 96 122.590 122.590 121.089 1.501 18277 5659 1 7 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.342 0.380 18277 5660 1 7 . 1 1 97 97 PHE C C 96 174.704 174.704 175.440 -0.736 18277 5661 1 7 . 1 1 97 97 PHE CA C 96 58.599 58.599 60.156 -1.557 18277 5662 1 7 . 1 1 97 97 PHE CB C 96 39.149 39.149 39.724 -0.575 18277 5663 1 7 . 1 1 97 97 PHE H H 96 8.517 8.517 8.261 0.256 18277 5664 1 7 . 1 1 98 98 SER N N 97 114.201 114.201 113.307 0.894 18277 5665 1 7 . 1 1 98 98 SER HA H 97 4.859 4.859 4.736 0.123 18277 5666 1 7 . 1 1 98 98 SER C C 97 173.002 173.002 172.214 0.788 18277 5667 1 7 . 1 1 98 98 SER CA C 97 57.346 57.346 58.312 -0.966 18277 5668 1 7 . 1 1 98 98 SER CB C 97 65.739 65.739 66.302 -0.563 18277 5669 1 7 . 1 1 98 98 SER H H 97 9.129 9.129 8.461 0.668 18277 5670 1 7 . 1 1 99 99 VAL N N 98 120.191 120.191 120.310 -0.119 18277 5671 1 7 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.815 0.704 18277 5672 1 7 . 1 1 99 99 VAL C C 98 175.574 175.574 174.827 0.747 18277 5673 1 7 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.513 -1.123 18277 5674 1 7 . 1 1 99 99 VAL CB C 98 35.426 35.426 36.113 -0.687 18277 5675 1 7 . 1 1 99 99 VAL H H 98 8.655 8.655 8.409 0.246 18277 5676 1 7 . 1 1 100 100 THR N N 99 120.623 120.623 124.039 -3.416 18277 5677 1 7 . 1 1 100 100 THR HA H 99 4.729 4.729 4.714 0.015 18277 5678 1 7 . 1 1 100 100 THR C C 99 172.605 172.605 173.065 -0.460 18277 5679 1 7 . 1 1 100 100 THR CA C 99 61.114 61.114 61.764 -0.650 18277 5680 1 7 . 1 1 100 100 THR CB C 99 71.850 71.850 70.552 1.298 18277 5681 1 7 . 1 1 100 100 THR H H 99 8.997 8.997 8.678 0.319 18277 5682 1 7 . 1 1 101 101 LEU N N 100 127.613 127.613 130.840 -3.227 18277 5683 1 7 . 1 1 101 101 LEU HA H 100 4.949 4.949 4.799 0.150 18277 5684 1 7 . 1 1 101 101 LEU C C 100 176.666 176.666 175.888 0.778 18277 5685 1 7 . 1 1 101 101 LEU CA C 100 54.689 54.689 55.206 -0.517 18277 5686 1 7 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.060 0.106 18277 5687 1 7 . 1 1 101 101 LEU H H 100 8.766 8.766 8.908 -0.142 18277 5688 1 7 . 1 1 102 102 SER N N 101 119.771 119.771 120.464 -0.693 18277 5689 1 7 . 1 1 102 102 SER HA H 101 4.749 4.749 5.038 -0.289 18277 5690 1 7 . 1 1 102 102 SER C C 101 173.477 173.477 172.241 1.236 18277 5691 1 7 . 1 1 102 102 SER CA C 101 57.514 57.514 57.521 -0.007 18277 5692 1 7 . 1 1 102 102 SER CB C 101 65.024 65.024 65.600 -0.576 18277 5693 1 7 . 1 1 102 102 SER H H 101 8.926 8.926 9.281 -0.355 18277 5694 1 7 . 1 1 103 103 THR N N 102 117.853 117.853 113.816 4.037 18277 5695 1 7 . 1 1 103 103 THR HA H 102 4.618 4.618 4.332 0.286 18277 5696 1 7 . 1 1 103 103 THR C C 102 174.020 174.020 173.622 0.398 18277 5697 1 7 . 1 1 103 103 THR CA C 102 61.991 61.991 59.732 2.259 18277 5698 1 7 . 1 1 103 103 THR CB C 102 69.972 69.972 71.022 -1.050 18277 5699 1 7 . 1 1 103 103 THR H H 102 8.409 8.409 8.150 0.259 18277 5700 1 7 . 1 1 104 104 ASP N N 103 125.295 125.295 120.847 4.448 18277 5701 1 7 . 1 1 104 104 ASP HA H 103 4.708 4.708 5.125 -0.417 18277 5702 1 7 . 1 1 104 104 ASP C C 103 176.908 176.908 178.394 -1.486 18277 5703 1 7 . 1 1 104 104 ASP CA C 103 53.559 53.559 52.450 1.109 18277 5704 1 7 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.999 -0.754 18277 5705 1 7 . 1 1 104 104 ASP H H 103 8.598 8.598 7.773 0.825 18277 5706 1 7 . 1 1 105 105 MET N N 104 122.470 122.470 119.495 2.975 18277 5707 1 7 . 1 1 105 105 MET HA H 104 4.270 4.270 4.201 0.069 18277 5708 1 7 . 1 1 105 105 MET C C 104 177.354 177.354 177.046 0.308 18277 5709 1 7 . 1 1 105 105 MET CA C 104 57.300 57.300 58.913 -1.613 18277 5710 1 7 . 1 1 105 105 MET CB C 104 32.108 32.108 32.279 -0.171 18277 5711 1 7 . 1 1 105 105 MET H H 104 8.719 8.719 8.674 0.045 18277 5712 1 7 . 1 1 106 106 GLU N N 105 118.752 118.752 119.786 -1.034 18277 5713 1 7 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.143 0.093 18277 5714 1 7 . 1 1 106 106 GLU C C 105 177.172 177.172 176.908 0.264 18277 5715 1 7 . 1 1 106 106 GLU CA C 105 57.729 57.729 57.363 0.366 18277 5716 1 7 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.663 0.113 18277 5717 1 7 . 1 1 106 106 GLU H H 105 8.306 8.306 7.888 0.418 18277 5718 1 7 . 1 1 107 107 MET N N 106 116.736 116.736 115.874 0.862 18277 5719 1 7 . 1 1 107 107 MET HA H 106 4.329 4.329 4.076 0.253 18277 5720 1 7 . 1 1 107 107 MET C C 106 176.319 176.319 175.386 0.933 18277 5721 1 7 . 1 1 107 107 MET CA C 106 55.514 55.514 56.512 -0.998 18277 5722 1 7 . 1 1 107 107 MET CB C 106 31.566 31.566 31.850 -0.284 18277 5723 1 7 . 1 1 107 107 MET H H 106 8.206 8.206 7.901 0.305 18277 5724 1 7 . 1 1 108 108 LYS N N 107 117.661 117.661 118.187 -0.526 18277 5725 1 7 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.414 -0.328 18277 5726 1 7 . 1 1 108 108 LYS C C 107 176.049 176.049 175.797 0.252 18277 5727 1 7 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.886 0.214 18277 5728 1 7 . 1 1 108 108 LYS CB C 107 30.890 30.890 33.100 -2.211 18277 5729 1 7 . 1 1 108 108 LYS H H 107 8.382 8.382 8.080 0.302 18277 5730 1 7 . 1 1 109 109 SER N N 108 113.019 113.019 116.444 -3.425 18277 5731 1 7 . 1 1 109 109 SER HA H 108 4.566 4.566 4.632 -0.066 18277 5732 1 7 . 1 1 109 109 SER C C 108 172.969 172.969 172.418 0.551 18277 5733 1 7 . 1 1 109 109 SER CA C 108 56.997 56.997 57.784 -0.787 18277 5734 1 7 . 1 1 109 109 SER CB C 108 65.035 65.035 64.917 0.118 18277 5735 1 7 . 1 1 109 109 SER H H 108 7.892 7.892 7.735 0.157 18277 5736 1 7 . 1 1 110 110 VAL N N 109 121.915 121.915 125.346 -3.431 18277 5737 1 7 . 1 1 110 110 VAL HA H 109 4.402 4.402 3.866 0.536 18277 5738 1 7 . 1 1 110 110 VAL C C 109 174.706 174.706 175.120 -0.414 18277 5739 1 7 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.985 0.989 18277 5740 1 7 . 1 1 110 110 VAL CB C 109 33.080 33.080 33.112 -0.032 18277 5741 1 7 . 1 1 110 110 VAL H H 109 7.878 7.878 8.342 -0.464 18277 5742 1 7 . 1 1 111 111 TYR N N 110 122.247 122.247 121.748 0.499 18277 5743 1 7 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.623 -0.287 18277 5744 1 7 . 1 1 111 111 TYR C C 110 173.915 173.915 173.422 0.493 18277 5745 1 7 . 1 1 111 111 TYR CA C 110 57.263 57.263 54.548 2.715 18277 5746 1 7 . 1 1 111 111 TYR CB C 110 43.222 43.222 40.121 3.101 18277 5747 1 7 . 1 1 111 111 TYR H H 110 8.317 8.317 8.425 -0.108 18277 5748 1 7 . 1 1 112 112 TYR N N 111 117.096 117.096 117.543 -0.447 18277 5749 1 7 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.729 0.140 18277 5750 1 7 . 1 1 112 112 TYR C C 111 175.418 175.418 174.658 0.760 18277 5751 1 7 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.584 0.599 18277 5752 1 7 . 1 1 112 112 TYR CB C 111 38.681 38.681 39.188 -0.507 18277 5753 1 7 . 1 1 112 112 TYR H H 111 8.690 8.690 8.853 -0.163 18277 5754 1 7 . 1 1 113 113 TYR N N 112 120.208 120.208 123.996 -3.788 18277 5755 1 7 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.963 -0.024 18277 5756 1 7 . 1 1 113 113 TYR C C 112 176.674 176.674 176.185 0.489 18277 5757 1 7 . 1 1 113 113 TYR CA C 112 57.567 57.567 57.474 0.093 18277 5758 1 7 . 1 1 113 113 TYR CB C 112 39.924 39.924 39.269 0.655 18277 5759 1 7 . 1 1 113 113 TYR H H 112 9.374 9.374 8.870 0.504 18277 5760 1 7 . 1 1 114 114 ILE N N 113 121.490 121.490 124.444 -2.954 18277 5761 1 7 . 1 1 114 114 ILE HA H 113 4.821 4.821 3.967 0.854 18277 5762 1 7 . 1 1 114 114 ILE C C 113 176.329 176.329 176.792 -0.463 18277 5763 1 7 . 1 1 114 114 ILE CA C 113 60.039 60.039 60.917 -0.878 18277 5764 1 7 . 1 1 114 114 ILE CB C 113 36.965 36.965 37.448 -0.483 18277 5765 1 7 . 1 1 114 114 ILE H H 113 8.076 8.076 8.996 -0.920 18277 5766 1 7 . 1 1 115 115 ASN N N 114 129.212 129.212 126.599 2.613 18277 5767 1 7 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.720 -0.019 18277 5768 1 7 . 1 1 115 115 ASN C C 114 175.914 175.914 174.445 1.469 18277 5769 1 7 . 1 1 115 115 ASN CA C 114 55.022 55.022 53.779 1.242 18277 5770 1 7 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.056 0.493 18277 5771 1 7 . 1 1 115 115 ASN H H 114 8.959 8.959 8.982 -0.023 18277 5772 1 7 . 1 1 116 116 ASN N N 115 121.613 121.613 121.161 0.452 18277 5773 1 7 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.256 -0.387 18277 5774 1 7 . 1 1 116 116 ASN C C 115 178.040 178.040 174.482 3.558 18277 5775 1 7 . 1 1 116 116 ASN CA C 115 52.780 52.780 51.753 1.027 18277 5776 1 7 . 1 1 116 116 ASN CB C 115 39.096 39.096 37.718 1.378 18277 5777 1 7 . 1 1 116 116 ASN H H 115 8.464 8.464 8.146 0.318 18277 5778 1 7 . 1 1 117 117 CYS N N 116 120.777 120.777 116.956 3.821 18277 5779 1 7 . 1 1 117 117 CYS HA H 116 3.744 3.744 4.077 -0.333 18277 5780 1 7 . 1 1 117 117 CYS C C 116 174.635 174.635 175.320 -0.685 18277 5781 1 7 . 1 1 117 117 CYS CA C 116 60.087 60.087 58.327 1.760 18277 5782 1 7 . 1 1 117 117 CYS CB C 116 27.456 27.456 29.416 -1.960 18277 5783 1 7 . 1 1 117 117 CYS H H 116 8.256 8.256 7.783 0.473 18277 5784 1 7 . 1 1 118 118 ASP N N 117 119.926 119.926 121.418 -1.492 18277 5785 1 7 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.760 0.139 18277 5786 1 7 . 1 1 118 118 ASP C C 117 176.225 176.225 177.266 -1.041 18277 5787 1 7 . 1 1 118 118 ASP CA C 117 53.410 53.410 54.989 -1.579 18277 5788 1 7 . 1 1 118 118 ASP CB C 117 40.174 40.174 40.387 -0.213 18277 5789 1 7 . 1 1 118 118 ASP H H 117 8.420 8.420 8.352 0.068 18277 5790 1 7 . 1 1 119 119 THR N N 118 116.185 116.185 115.989 0.196 18277 5791 1 7 . 1 1 119 119 THR HA H 118 4.315 4.315 4.295 0.020 18277 5792 1 7 . 1 1 119 119 THR C C 118 175.349 175.349 176.476 -1.127 18277 5793 1 7 . 1 1 119 119 THR CA C 118 66.029 66.029 67.625 -1.596 18277 5794 1 7 . 1 1 119 119 THR CB C 118 69.654 69.654 69.200 0.454 18277 5795 1 7 . 1 1 119 119 THR H H 118 7.712 7.712 8.046 -0.334 18277 5796 1 7 . 1 1 120 120 ASP N N 119 120.938 120.938 120.413 0.525 18277 5797 1 7 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.589 -0.056 18277 5798 1 7 . 1 1 120 120 ASP C C 119 177.991 177.991 176.677 1.314 18277 5799 1 7 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.244 -0.338 18277 5800 1 7 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.599 0.338 18277 5801 1 7 . 1 1 120 120 ASP H H 119 8.730 8.730 8.749 -0.019 18277 5802 1 7 . 1 1 121 121 ALA N N 120 122.818 122.818 118.218 4.600 18277 5803 1 7 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.315 -0.137 18277 5804 1 7 . 1 1 121 121 ALA C C 120 178.787 178.787 178.019 0.768 18277 5805 1 7 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.411 0.480 18277 5806 1 7 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.625 -0.154 18277 5807 1 7 . 1 1 121 121 ALA H H 120 8.033 8.033 8.347 -0.314 18277 5808 1 7 . 1 1 122 122 ASN N N 121 116.085 116.085 116.926 -0.841 18277 5809 1 7 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.669 -0.035 18277 5810 1 7 . 1 1 122 122 ASN C C 121 176.235 176.235 176.869 -0.634 18277 5811 1 7 . 1 1 122 122 ASN CA C 121 54.496 54.496 55.308 -0.812 18277 5812 1 7 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.477 -0.588 18277 5813 1 7 . 1 1 122 122 ASN H H 121 8.128 8.128 7.928 0.200 18277 5814 1 7 . 1 1 123 123 VAL N N 122 117.803 117.803 117.702 0.101 18277 5815 1 7 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.933 0.029 18277 5816 1 7 . 1 1 123 123 VAL C C 122 176.973 176.973 177.005 -0.032 18277 5817 1 7 . 1 1 123 123 VAL CA C 122 63.916 63.916 63.754 0.162 18277 5818 1 7 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.140 0.755 18277 5819 1 7 . 1 1 123 123 VAL H H 122 8.262 8.262 8.224 0.038 18277 5820 1 7 . 1 1 124 124 GLY N N 123 110.472 110.472 107.542 2.930 18277 5821 1 7 . 1 1 124 124 GLY C C 123 174.107 174.107 175.058 -0.951 18277 5822 1 7 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.604 -1.203 18277 5823 1 7 . 1 1 124 124 GLY H H 123 8.172 8.172 8.641 -0.469 18277 5824 1 7 . 1 1 125 125 SER N N 124 113.065 113.065 115.299 -2.234 18277 5825 1 7 . 1 1 125 125 SER HA H 124 4.529 4.529 4.392 0.137 18277 5826 1 7 . 1 1 125 125 SER C C 124 174.664 174.664 173.951 0.713 18277 5827 1 7 . 1 1 125 125 SER CA C 124 58.981 58.981 60.210 -1.229 18277 5828 1 7 . 1 1 125 125 SER CB C 124 64.492 64.492 64.121 0.371 18277 5829 1 7 . 1 1 125 125 SER H H 124 8.139 8.139 8.368 -0.229 18277 5830 1 7 . 1 1 126 126 ASP N N 125 121.312 121.312 118.126 3.186 18277 5831 1 7 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.925 -0.218 18277 5832 1 7 . 1 1 126 126 ASP C C 125 177.029 177.029 175.084 1.945 18277 5833 1 7 . 1 1 126 126 ASP CA C 125 54.232 54.232 54.024 0.208 18277 5834 1 7 . 1 1 126 126 ASP CB C 125 40.878 40.878 43.556 -2.678 18277 5835 1 7 . 1 1 126 126 ASP H H 125 8.146 8.146 8.434 -0.288 18277 5836 1 7 . 1 1 127 127 VAL N N 126 123.444 123.444 123.790 -0.346 18277 5837 1 7 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.740 0.086 18277 5838 1 7 . 1 1 127 127 VAL C C 126 177.304 177.304 177.486 -0.182 18277 5839 1 7 . 1 1 127 127 VAL CA C 126 65.899 65.899 65.218 0.681 18277 5840 1 7 . 1 1 127 127 VAL CB C 126 32.222 32.222 32.199 0.023 18277 5841 1 7 . 1 1 127 127 VAL H H 126 8.474 8.474 8.474 -0.000 18277 5842 1 7 . 1 1 128 128 GLU N N 127 120.874 120.874 120.297 0.577 18277 5843 1 7 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.163 -0.230 18277 5844 1 7 . 1 1 128 128 GLU CA C 127 58.660 58.660 59.438 -0.778 18277 5845 1 7 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.628 -0.548 18277 5846 1 7 . 1 1 128 128 GLU H H 127 8.504 8.504 8.653 -0.149 18277 5847 1 7 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.926 -0.177 18277 5848 1 7 . 1 1 129 129 HIS C C 128 174.898 174.898 174.160 0.738 18277 5849 1 7 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.588 1.860 18277 5850 1 7 . 1 1 129 129 HIS CB C 128 29.045 29.045 29.449 -0.404 18277 5851 1 7 . 1 1 130 130 TYR N N 129 122.615 122.615 122.974 -0.359 18277 5852 1 7 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.386 -0.386 18277 5853 1 7 . 1 1 130 130 TYR C C 129 178.544 178.544 176.450 2.094 18277 5854 1 7 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.915 0.193 18277 5855 1 7 . 1 1 130 130 TYR CB C 129 39.542 39.542 39.053 0.489 18277 5856 1 7 . 1 1 130 130 TYR H H 129 8.118 8.118 7.593 0.525 18277 5857 1 7 . 1 1 131 131 LEU N N 130 116.037 116.037 117.949 -1.912 18277 5858 1 7 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.232 0.117 18277 5859 1 7 . 1 1 131 131 LEU C C 130 179.368 179.368 179.201 0.167 18277 5860 1 7 . 1 1 131 131 LEU CA C 130 58.816 58.816 58.099 0.717 18277 5861 1 7 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.729 0.640 18277 5862 1 7 . 1 1 131 131 LEU H H 130 9.092 9.092 8.766 0.326 18277 5863 1 7 . 1 1 132 132 THR N N 131 113.629 113.629 111.534 2.095 18277 5864 1 7 . 1 1 132 132 THR HA H 131 4.007 4.007 4.269 -0.263 18277 5865 1 7 . 1 1 132 132 THR C C 131 177.255 177.255 176.393 0.862 18277 5866 1 7 . 1 1 132 132 THR CA C 131 66.505 66.505 65.463 1.042 18277 5867 1 7 . 1 1 132 132 THR CB C 131 68.052 68.052 69.020 -0.968 18277 5868 1 7 . 1 1 132 132 THR H H 131 8.129 8.129 7.479 0.650 18277 5869 1 7 . 1 1 133 133 ARG N N 132 124.720 124.720 121.713 3.007 18277 5870 1 7 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.049 0.067 18277 5871 1 7 . 1 1 133 133 ARG C C 132 178.921 178.921 177.529 1.392 18277 5872 1 7 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.530 1.507 18277 5873 1 7 . 1 1 133 133 ARG CB C 132 30.274 30.274 29.951 0.323 18277 5874 1 7 . 1 1 133 133 ARG H H 132 8.187 8.187 7.754 0.433 18277 5875 1 7 . 1 1 134 134 TRP N N 133 120.307 120.307 119.325 0.982 18277 5876 1 7 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.489 -0.262 18277 5877 1 7 . 1 1 134 134 TRP C C 133 177.823 177.823 177.279 0.544 18277 5878 1 7 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.665 2.805 18277 5879 1 7 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.381 -1.626 18277 5880 1 7 . 1 1 134 134 TRP H H 133 9.167 9.167 8.235 0.932 18277 5881 1 7 . 1 1 135 135 ILE N N 134 117.595 117.595 121.036 -3.441 18277 5882 1 7 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.071 0.512 18277 5883 1 7 . 1 1 135 135 ILE C C 134 176.333 176.333 177.697 -1.364 18277 5884 1 7 . 1 1 135 135 ILE CA C 134 60.708 60.708 64.049 -3.341 18277 5885 1 7 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.172 -1.039 18277 5886 1 7 . 1 1 135 135 ILE H H 134 9.000 9.000 8.049 0.951 18277 5887 1 7 . 1 1 136 136 SER N N 135 116.548 116.548 113.861 2.687 18277 5888 1 7 . 1 1 136 136 SER HA H 135 3.931 3.931 3.904 0.027 18277 5889 1 7 . 1 1 136 136 SER C C 135 174.339 174.339 176.427 -2.088 18277 5890 1 7 . 1 1 136 136 SER CA C 135 62.535 62.535 61.124 1.411 18277 5891 1 7 . 1 1 136 136 SER CB C 135 62.820 62.820 62.823 -0.003 18277 5892 1 7 . 1 1 136 136 SER H H 135 7.592 7.592 8.170 -0.578 18277 5893 1 7 . 1 1 137 137 LEU N N 136 119.693 119.693 122.203 -2.510 18277 5894 1 7 . 1 1 137 137 LEU HA H 136 4.197 4.197 3.975 0.222 18277 5895 1 7 . 1 1 137 137 LEU C C 136 178.376 178.376 178.700 -0.324 18277 5896 1 7 . 1 1 137 137 LEU CA C 136 57.116 57.116 57.681 -0.565 18277 5897 1 7 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.259 0.729 18277 5898 1 7 . 1 1 137 137 LEU H H 136 7.247 7.247 7.827 -0.580 18277 5899 1 7 . 1 1 138 138 TYR N N 137 116.295 116.295 116.745 -0.450 18277 5900 1 7 . 1 1 138 138 TYR HA H 137 3.644 3.644 3.727 -0.083 18277 5901 1 7 . 1 1 138 138 TYR C C 137 178.142 178.142 178.304 -0.162 18277 5902 1 7 . 1 1 138 138 TYR CA C 137 61.396 61.396 60.769 0.627 18277 5903 1 7 . 1 1 138 138 TYR CB C 137 37.907 37.907 37.679 0.228 18277 5904 1 7 . 1 1 138 138 TYR H H 137 8.057 8.057 7.774 0.283 18277 5905 1 7 . 1 1 139 139 ILE N N 138 117.755 117.755 121.991 -4.236 18277 5906 1 7 . 1 1 139 139 ILE HA H 138 3.818 3.818 3.672 0.146 18277 5907 1 7 . 1 1 139 139 ILE C C 138 176.943 176.943 176.608 0.335 18277 5908 1 7 . 1 1 139 139 ILE CA C 138 61.684 61.684 62.807 -1.123 18277 5909 1 7 . 1 1 139 139 ILE CB C 138 36.768 36.768 37.370 -0.602 18277 5910 1 7 . 1 1 139 139 ILE H H 138 8.371 8.371 8.710 -0.339 18277 5911 1 7 . 1 1 140 140 ARG N N 139 118.103 118.103 118.486 -0.383 18277 5912 1 7 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.261 -0.186 18277 5913 1 7 . 1 1 140 140 ARG C C 139 176.776 176.776 177.391 -0.615 18277 5914 1 7 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.273 -0.744 18277 5915 1 7 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.970 -0.129 18277 5916 1 7 . 1 1 140 140 ARG H H 139 6.762 6.762 7.397 -0.635 18277 5917 1 7 . 1 1 141 141 ILE N N 140 117.603 117.603 117.875 -0.272 18277 5918 1 7 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.999 -0.228 18277 5919 1 7 . 1 1 141 141 ILE C C 140 176.448 176.448 176.340 0.108 18277 5920 1 7 . 1 1 141 141 ILE CA C 140 63.370 63.370 62.661 0.709 18277 5921 1 7 . 1 1 141 141 ILE CB C 140 38.819 38.819 38.008 0.811 18277 5922 1 7 . 1 1 141 141 ILE H H 140 7.056 7.056 7.846 -0.790 18277 5923 1 7 . 1 1 142 142 PHE N N 141 114.969 114.969 118.440 -3.471 18277 5924 1 7 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.606 -0.212 18277 5925 1 7 . 1 1 142 142 PHE C C 141 175.503 175.503 175.468 0.035 18277 5926 1 7 . 1 1 142 142 PHE CA C 141 58.126 58.126 59.289 -1.163 18277 5927 1 7 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.463 -1.025 18277 5928 1 7 . 1 1 142 142 PHE H H 141 7.287 7.287 7.829 -0.542 18277 5929 1 7 . 1 1 143 143 ASP N N 142 116.492 116.492 119.400 -2.908 18277 5930 1 7 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.923 -0.178 18277 5931 1 7 . 1 1 143 143 ASP C C 142 175.131 175.131 175.539 -0.408 18277 5932 1 7 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.742 0.271 18277 5933 1 7 . 1 1 143 143 ASP CB C 142 42.996 42.996 43.046 -0.050 18277 5934 1 7 . 1 1 143 143 ASP H H 142 7.697 7.697 8.156 -0.459 18277 5935 1 7 . 1 1 144 144 LEU N N 143 126.435 126.435 126.131 0.304 18277 5936 1 7 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.344 -0.158 18277 5937 1 7 . 1 1 144 144 LEU C C 143 177.297 177.297 176.604 0.693 18277 5938 1 7 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.244 1.696 18277 5939 1 7 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.921 0.688 18277 5940 1 7 . 1 1 144 144 LEU H H 143 8.790 8.790 8.777 0.013 18277 5941 1 7 . 1 1 145 145 ASN N N 144 114.711 114.711 116.364 -1.653 18277 5942 1 7 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.782 0.041 18277 5943 1 7 . 1 1 145 145 ASN C C 144 174.879 174.879 174.597 0.282 18277 5944 1 7 . 1 1 145 145 ASN CA C 144 53.151 53.151 54.109 -0.958 18277 5945 1 7 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.118 -0.423 18277 5946 1 7 . 1 1 145 145 ASN H H 144 8.569 8.569 8.307 0.262 18277 5947 1 7 . 1 1 146 146 PHE N N 145 121.472 121.472 122.256 -0.784 18277 5948 1 7 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.636 -0.127 18277 5949 1 7 . 1 1 146 146 PHE C C 145 173.397 173.397 173.527 -0.130 18277 5950 1 7 . 1 1 146 146 PHE CA C 145 57.895 57.895 56.363 1.532 18277 5951 1 7 . 1 1 146 146 PHE CB C 145 38.987 38.987 39.563 -0.576 18277 5952 1 7 . 1 1 146 146 PHE H H 145 7.214 7.214 7.411 -0.197 18277 5953 1 7 . 1 1 147 147 VAL N N 146 128.813 128.813 124.849 3.964 18277 5954 1 7 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.312 -0.240 18277 5955 1 7 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.607 1.091 18277 5956 1 7 . 1 1 147 147 VAL CB C 146 33.469 33.469 30.840 2.628 18277 5957 1 7 . 1 1 147 147 VAL H H 146 7.666 7.666 8.226 -0.560 18277 5958 1 8 . 1 1 2 2 MET N N 1 121.461 121.461 120.617 0.844 18277 5959 1 8 . 1 1 2 2 MET HA H 1 4.581 4.581 4.499 0.082 18277 5960 1 8 . 1 1 2 2 MET C C 1 175.184 175.184 175.869 -0.685 18277 5961 1 8 . 1 1 2 2 MET CA C 1 55.447 55.447 55.051 0.396 18277 5962 1 8 . 1 1 2 2 MET CB C 1 34.107 34.107 34.150 -0.043 18277 5963 1 8 . 1 1 2 2 MET H H 1 8.431 8.431 8.325 0.106 18277 5964 1 8 . 1 1 3 3 LEU N N 2 123.575 123.575 125.073 -1.498 18277 5965 1 8 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.177 0.293 18277 5966 1 8 . 1 1 3 3 LEU C C 2 176.479 176.479 176.235 0.244 18277 5967 1 8 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.550 -1.006 18277 5968 1 8 . 1 1 3 3 LEU CB C 2 43.200 43.200 42.007 1.193 18277 5969 1 8 . 1 1 3 3 LEU H H 2 8.678 8.678 7.882 0.796 18277 5970 1 8 . 1 1 4 4 THR N N 3 119.326 119.326 118.001 1.325 18277 5971 1 8 . 1 1 4 4 THR HA H 3 4.398 4.398 4.646 -0.248 18277 5972 1 8 . 1 1 4 4 THR C C 3 173.920 173.920 175.787 -1.867 18277 5973 1 8 . 1 1 4 4 THR CA C 3 61.025 61.025 60.861 0.164 18277 5974 1 8 . 1 1 4 4 THR CB C 3 71.090 71.090 69.932 1.158 18277 5975 1 8 . 1 1 4 4 THR H H 3 8.541 8.541 7.909 0.632 18277 5976 1 8 . 1 1 5 5 LEU N N 4 122.107 122.107 120.176 1.931 18277 5977 1 8 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.750 -0.462 18277 5978 1 8 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.649 0.443 18277 5979 1 8 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.830 -0.024 18277 5980 1 8 . 1 1 5 5 LEU H H 4 8.777 8.777 8.424 0.353 18277 5981 1 8 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.355 -0.009 18277 5982 1 8 . 1 1 6 6 PRO C C 5 179.812 179.812 177.630 2.182 18277 5983 1 8 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.951 1.308 18277 5984 1 8 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.099 -0.041 18277 5985 1 8 . 1 1 7 7 GLU N N 6 117.744 117.744 116.903 0.841 18277 5986 1 8 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.258 -0.232 18277 5987 1 8 . 1 1 7 7 GLU C C 6 178.359 178.359 177.080 1.279 18277 5988 1 8 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.038 1.065 18277 5989 1 8 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.160 0.110 18277 5990 1 8 . 1 1 7 7 GLU H H 6 7.088 7.088 7.929 -0.841 18277 5991 1 8 . 1 1 8 8 TYR N N 7 120.825 120.825 118.067 2.758 18277 5992 1 8 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.468 -0.573 18277 5993 1 8 . 1 1 8 8 TYR C C 7 176.641 176.641 177.208 -0.567 18277 5994 1 8 . 1 1 8 8 TYR CA C 7 61.519 61.519 60.254 1.265 18277 5995 1 8 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.218 -1.491 18277 5996 1 8 . 1 1 8 8 TYR H H 7 8.310 8.310 7.769 0.541 18277 5997 1 8 . 1 1 9 9 ASN N N 8 118.086 118.086 118.319 -0.233 18277 5998 1 8 . 1 1 9 9 ASN HA H 8 4.318 4.318 3.871 0.447 18277 5999 1 8 . 1 1 9 9 ASN C C 8 179.060 179.060 177.704 1.356 18277 6000 1 8 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.158 0.616 18277 6001 1 8 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.500 0.809 18277 6002 1 8 . 1 1 9 9 ASN H H 8 8.791 8.791 8.488 0.303 18277 6003 1 8 . 1 1 10 10 GLU N N 9 120.057 120.057 119.693 0.364 18277 6004 1 8 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.163 -0.050 18277 6005 1 8 . 1 1 10 10 GLU C C 9 177.853 177.853 177.243 0.610 18277 6006 1 8 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.586 -0.080 18277 6007 1 8 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.477 0.164 18277 6008 1 8 . 1 1 10 10 GLU H H 9 8.013 8.013 8.393 -0.380 18277 6009 1 8 . 1 1 11 11 GLN N N 10 116.468 116.468 115.669 0.799 18277 6010 1 8 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.653 -0.203 18277 6011 1 8 . 1 1 11 11 GLN C C 10 177.470 177.470 175.978 1.492 18277 6012 1 8 . 1 1 11 11 GLN CA C 10 56.997 56.997 54.898 2.099 18277 6013 1 8 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.482 1.243 18277 6014 1 8 . 1 1 11 11 GLN H H 10 7.488 7.488 7.467 0.021 18277 6015 1 8 . 1 1 12 12 ILE N N 11 124.393 124.393 122.493 1.900 18277 6016 1 8 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.837 -0.009 18277 6017 1 8 . 1 1 12 12 ILE CA C 11 63.506 63.506 66.119 -2.613 18277 6018 1 8 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.663 -1.405 18277 6019 1 8 . 1 1 12 12 ILE H H 11 7.605 7.605 7.216 0.389 18277 6020 1 8 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.513 -0.276 18277 6021 1 8 . 1 1 13 13 PRO C C 12 179.113 179.113 176.761 2.352 18277 6022 1 8 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.154 2.273 18277 6023 1 8 . 1 1 13 13 PRO CB C 12 31.077 31.077 31.005 0.072 18277 6024 1 8 . 1 1 14 14 ASN N N 13 115.499 115.499 117.106 -1.607 18277 6025 1 8 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.765 -0.173 18277 6026 1 8 . 1 1 14 14 ASN C C 13 178.208 178.208 176.995 1.213 18277 6027 1 8 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.118 1.673 18277 6028 1 8 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.840 -0.796 18277 6029 1 8 . 1 1 14 14 ASN H H 13 7.793 7.793 7.979 -0.186 18277 6030 1 8 . 1 1 15 15 VAL N N 14 121.205 121.205 121.787 -0.582 18277 6031 1 8 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.800 -0.100 18277 6032 1 8 . 1 1 15 15 VAL C C 14 176.999 176.999 177.518 -0.519 18277 6033 1 8 . 1 1 15 15 VAL CA C 14 66.544 66.544 67.048 -0.504 18277 6034 1 8 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.826 -0.401 18277 6035 1 8 . 1 1 15 15 VAL H H 14 7.704 7.704 7.818 -0.114 18277 6036 1 8 . 1 1 16 16 ARG N N 15 121.067 121.067 119.346 1.721 18277 6037 1 8 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.097 -0.383 18277 6038 1 8 . 1 1 16 16 ARG C C 15 178.150 178.150 178.421 -0.271 18277 6039 1 8 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.484 1.036 18277 6040 1 8 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.532 0.683 18277 6041 1 8 . 1 1 16 16 ARG H H 15 8.855 8.855 7.857 0.998 18277 6042 1 8 . 1 1 17 17 SER N N 16 112.741 112.741 114.986 -2.245 18277 6043 1 8 . 1 1 17 17 SER HA H 16 4.245 4.245 4.310 -0.065 18277 6044 1 8 . 1 1 17 17 SER C C 16 177.177 177.177 175.683 1.494 18277 6045 1 8 . 1 1 17 17 SER CA C 16 61.756 61.756 61.171 0.585 18277 6046 1 8 . 1 1 17 17 SER CB C 16 62.785 62.785 62.980 -0.195 18277 6047 1 8 . 1 1 17 17 SER H H 16 7.987 7.987 8.220 -0.233 18277 6048 1 8 . 1 1 18 18 LEU N N 17 122.703 122.703 119.455 3.248 18277 6049 1 8 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.487 -0.230 18277 6050 1 8 . 1 1 18 18 LEU C C 17 179.350 179.350 178.679 0.671 18277 6051 1 8 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.054 1.430 18277 6052 1 8 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.350 1.125 18277 6053 1 8 . 1 1 18 18 LEU H H 17 7.728 7.728 7.486 0.242 18277 6054 1 8 . 1 1 19 19 LEU N N 18 116.536 116.536 121.191 -4.655 18277 6055 1 8 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.264 -0.033 18277 6056 1 8 . 1 1 19 19 LEU C C 18 178.556 178.556 179.122 -0.566 18277 6057 1 8 . 1 1 19 19 LEU CA C 18 57.275 57.275 58.271 -0.996 18277 6058 1 8 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.065 0.651 18277 6059 1 8 . 1 1 19 19 LEU H H 18 8.367 8.367 9.054 -0.687 18277 6060 1 8 . 1 1 20 20 THR N N 19 111.172 111.172 109.824 1.348 18277 6061 1 8 . 1 1 20 20 THR HA H 19 4.072 4.072 3.916 0.156 18277 6062 1 8 . 1 1 20 20 THR C C 19 175.433 175.433 175.895 -0.462 18277 6063 1 8 . 1 1 20 20 THR CA C 19 65.421 65.421 64.972 0.449 18277 6064 1 8 . 1 1 20 20 THR CB C 19 69.541 69.541 68.399 1.142 18277 6065 1 8 . 1 1 20 20 THR H H 19 7.926 7.926 7.783 0.143 18277 6066 1 8 . 1 1 21 21 LYS N N 20 117.696 117.696 118.949 -1.253 18277 6067 1 8 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.085 0.266 18277 6068 1 8 . 1 1 21 21 LYS C C 20 176.229 176.229 177.421 -1.192 18277 6069 1 8 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.349 0.165 18277 6070 1 8 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.140 0.209 18277 6071 1 8 . 1 1 21 21 LYS H H 20 7.350 7.350 7.984 -0.634 18277 6072 1 8 . 1 1 22 22 TRP N N 21 123.258 123.258 122.332 0.926 18277 6073 1 8 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.633 1.135 18277 6074 1 8 . 1 1 22 22 TRP C C 21 177.333 177.333 177.053 0.280 18277 6075 1 8 . 1 1 22 22 TRP CA C 21 54.466 54.466 56.017 -1.551 18277 6076 1 8 . 1 1 22 22 TRP CB C 21 28.882 28.882 27.562 1.320 18277 6077 1 8 . 1 1 22 22 TRP H H 21 7.710 7.710 7.628 0.082 18277 6078 1 8 . 1 1 23 23 ALA N N 22 133.336 133.336 128.762 4.574 18277 6079 1 8 . 1 1 23 23 ALA HA H 22 4.146 4.146 3.960 0.186 18277 6080 1 8 . 1 1 23 23 ALA C C 22 177.467 177.467 177.055 0.412 18277 6081 1 8 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.923 0.932 18277 6082 1 8 . 1 1 23 23 ALA CB C 22 18.964 18.964 18.577 0.387 18277 6083 1 8 . 1 1 23 23 ALA H H 22 9.658 9.658 8.013 1.645 18277 6084 1 8 . 1 1 24 24 LYS N N 23 111.352 111.352 115.156 -3.804 18277 6085 1 8 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.061 -0.061 18277 6086 1 8 . 1 1 24 24 LYS C C 23 175.467 175.467 175.897 -0.430 18277 6087 1 8 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.188 -0.666 18277 6088 1 8 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.123 1.183 18277 6089 1 8 . 1 1 24 24 LYS H H 23 5.756 5.756 7.996 -2.240 18277 6090 1 8 . 1 1 25 25 VAL N N 24 119.937 119.937 119.946 -0.009 18277 6091 1 8 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.607 -0.229 18277 6092 1 8 . 1 1 25 25 VAL C C 24 175.634 175.634 175.295 0.339 18277 6093 1 8 . 1 1 25 25 VAL CA C 24 64.463 64.463 64.014 0.448 18277 6094 1 8 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.316 0.705 18277 6095 1 8 . 1 1 25 25 VAL H H 24 7.179 7.179 7.406 -0.227 18277 6096 1 8 . 1 1 26 26 GLU N N 25 127.218 127.218 128.450 -1.232 18277 6097 1 8 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.396 0.012 18277 6098 1 8 . 1 1 26 26 GLU C C 25 176.448 176.448 176.516 -0.068 18277 6099 1 8 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.364 0.612 18277 6100 1 8 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.681 -0.275 18277 6101 1 8 . 1 1 26 26 GLU H H 25 9.017 9.017 8.778 0.239 18277 6102 1 8 . 1 1 27 27 ARG N N 26 117.397 117.397 119.563 -2.166 18277 6103 1 8 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.633 -0.106 18277 6104 1 8 . 1 1 27 27 ARG C C 26 173.508 173.508 174.252 -0.744 18277 6105 1 8 . 1 1 27 27 ARG CA C 26 56.216 56.216 55.294 0.922 18277 6106 1 8 . 1 1 27 27 ARG CB C 26 33.963 33.963 33.802 0.161 18277 6107 1 8 . 1 1 27 27 ARG H H 26 7.521 7.521 7.582 -0.061 18277 6108 1 8 . 1 1 28 28 ILE N N 27 123.297 123.297 124.472 -1.175 18277 6109 1 8 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.478 0.203 18277 6110 1 8 . 1 1 28 28 ILE C C 27 173.872 173.872 174.131 -0.259 18277 6111 1 8 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.445 0.645 18277 6112 1 8 . 1 1 28 28 ILE CB C 27 40.685 40.685 39.284 1.401 18277 6113 1 8 . 1 1 28 28 ILE H H 27 8.662 8.662 8.404 0.258 18277 6114 1 8 . 1 1 29 29 GLN N N 28 125.810 125.810 126.484 -0.674 18277 6115 1 8 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.665 0.087 18277 6116 1 8 . 1 1 29 29 GLN C C 28 174.329 174.329 173.649 0.680 18277 6117 1 8 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.354 -0.285 18277 6118 1 8 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.245 -0.303 18277 6119 1 8 . 1 1 29 29 GLN H H 28 9.282 9.282 8.477 0.805 18277 6120 1 8 . 1 1 30 30 ASP N N 29 125.001 125.001 121.729 3.272 18277 6121 1 8 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.840 0.046 18277 6122 1 8 . 1 1 30 30 ASP C C 29 175.522 175.522 175.026 0.496 18277 6123 1 8 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.709 2.747 18277 6124 1 8 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.372 -2.049 18277 6125 1 8 . 1 1 30 30 ASP H H 29 8.666 8.666 8.523 0.143 18277 6126 1 8 . 1 1 31 31 VAL N N 30 116.978 116.978 114.580 2.398 18277 6127 1 8 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.589 0.055 18277 6128 1 8 . 1 1 31 31 VAL C C 30 175.448 175.448 174.429 1.019 18277 6129 1 8 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.444 -0.265 18277 6130 1 8 . 1 1 31 31 VAL CB C 30 35.124 35.124 35.161 -0.037 18277 6131 1 8 . 1 1 31 31 VAL H H 30 7.784 7.784 8.147 -0.363 18277 6132 1 8 . 1 1 32 32 GLN N N 31 121.763 121.763 123.233 -1.470 18277 6133 1 8 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.093 -0.060 18277 6134 1 8 . 1 1 32 32 GLN C C 31 176.620 176.620 175.433 1.187 18277 6135 1 8 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.587 0.596 18277 6136 1 8 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.037 0.005 18277 6137 1 8 . 1 1 32 32 GLN H H 31 8.515 8.515 8.693 -0.178 18277 6138 1 8 . 1 1 33 33 ASP N N 32 121.199 121.199 120.193 1.006 18277 6139 1 8 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.547 0.428 18277 6140 1 8 . 1 1 33 33 ASP C C 32 176.998 176.998 175.037 1.961 18277 6141 1 8 . 1 1 33 33 ASP CA C 32 55.528 55.528 54.995 0.534 18277 6142 1 8 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.261 1.398 18277 6143 1 8 . 1 1 33 33 ASP H H 32 9.134 9.134 8.364 0.770 18277 6144 1 8 . 1 1 34 34 GLY N N 33 106.691 106.691 102.610 4.081 18277 6145 1 8 . 1 1 34 34 GLY C C 33 171.453 171.453 172.008 -0.555 18277 6146 1 8 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.845 1.520 18277 6147 1 8 . 1 1 34 34 GLY H H 33 8.104 8.104 7.893 0.211 18277 6148 1 8 . 1 1 35 35 LEU N N 34 119.801 119.801 119.649 0.152 18277 6149 1 8 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.710 0.573 18277 6150 1 8 . 1 1 35 35 LEU C C 34 174.568 174.568 173.972 0.596 18277 6151 1 8 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.326 -1.758 18277 6152 1 8 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.312 1.960 18277 6153 1 8 . 1 1 35 35 LEU H H 34 8.491 8.491 8.090 0.401 18277 6154 1 8 . 1 1 36 36 GLN N N 35 121.349 121.349 122.403 -1.054 18277 6155 1 8 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.453 -0.236 18277 6156 1 8 . 1 1 36 36 GLN C C 35 174.530 174.530 174.202 0.328 18277 6157 1 8 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.168 0.596 18277 6158 1 8 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.121 0.359 18277 6159 1 8 . 1 1 36 36 GLN H H 35 8.992 8.992 8.715 0.277 18277 6160 1 8 . 1 1 37 37 LEU N N 36 126.882 126.882 126.965 -0.083 18277 6161 1 8 . 1 1 37 37 LEU HA H 36 5.358 5.358 4.813 0.545 18277 6162 1 8 . 1 1 37 37 LEU C C 36 174.519 174.519 175.540 -1.021 18277 6163 1 8 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.651 1.280 18277 6164 1 8 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.821 0.430 18277 6165 1 8 . 1 1 37 37 LEU H H 36 9.826 9.826 8.321 1.505 18277 6166 1 8 . 1 1 38 38 ASP N N 37 122.748 122.748 121.425 1.323 18277 6167 1 8 . 1 1 38 38 ASP HA H 37 5.449 5.449 5.430 0.019 18277 6168 1 8 . 1 1 38 38 ASP C C 37 175.197 175.197 175.633 -0.436 18277 6169 1 8 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.639 -0.260 18277 6170 1 8 . 1 1 38 38 ASP CB C 37 42.062 42.062 42.089 -0.027 18277 6171 1 8 . 1 1 38 38 ASP H H 37 8.556 8.556 8.020 0.536 18277 6172 1 8 . 1 1 39 39 VAL N N 38 124.835 124.835 123.820 1.015 18277 6173 1 8 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.947 0.194 18277 6174 1 8 . 1 1 39 39 VAL C C 38 174.081 174.081 174.983 -0.902 18277 6175 1 8 . 1 1 39 39 VAL CA C 38 60.442 60.442 61.836 -1.394 18277 6176 1 8 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.039 2.555 18277 6177 1 8 . 1 1 39 39 VAL H H 38 9.495 9.495 8.775 0.720 18277 6178 1 8 . 1 1 40 40 ARG N N 39 131.221 131.221 127.853 3.368 18277 6179 1 8 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.568 -0.052 18277 6180 1 8 . 1 1 40 40 ARG C C 39 174.144 174.144 176.161 -2.017 18277 6181 1 8 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.990 -0.486 18277 6182 1 8 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.451 -0.332 18277 6183 1 8 . 1 1 40 40 ARG H H 39 9.046 9.046 8.627 0.419 18277 6184 1 8 . 1 1 41 41 LEU N N 40 129.501 129.501 123.215 6.286 18277 6185 1 8 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.037 -0.011 18277 6186 1 8 . 1 1 41 41 LEU C C 40 176.934 176.934 177.078 -0.144 18277 6187 1 8 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.296 0.567 18277 6188 1 8 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.337 1.411 18277 6189 1 8 . 1 1 41 41 LEU H H 40 7.786 7.786 7.854 -0.068 18277 6190 1 8 . 1 1 42 42 LYS N N 41 112.553 112.553 114.789 -2.236 18277 6191 1 8 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.465 0.229 18277 6192 1 8 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.185 -1.006 18277 6193 1 8 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.065 0.938 18277 6194 1 8 . 1 1 42 42 LYS H H 41 8.313 8.313 7.221 1.092 18277 6195 1 8 . 1 1 43 43 THR HA H 42 3.860 3.860 4.163 -0.303 18277 6196 1 8 . 1 1 43 43 THR C C 42 174.883 174.883 174.246 0.637 18277 6197 1 8 . 1 1 43 43 THR CA C 42 66.494 66.494 64.797 1.696 18277 6198 1 8 . 1 1 43 43 THR CB C 42 68.508 68.508 68.848 -0.340 18277 6199 1 8 . 1 1 44 44 ASP N N 43 114.795 114.795 117.255 -2.460 18277 6200 1 8 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.860 -0.031 18277 6201 1 8 . 1 1 44 44 ASP C C 43 176.791 176.791 174.655 2.136 18277 6202 1 8 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.816 -0.895 18277 6203 1 8 . 1 1 44 44 ASP CB C 43 42.070 42.070 42.032 0.038 18277 6204 1 8 . 1 1 44 44 ASP H H 43 7.759 7.759 8.132 -0.373 18277 6205 1 8 . 1 1 45 45 THR N N 44 115.323 115.323 116.355 -1.032 18277 6206 1 8 . 1 1 45 45 THR HA H 44 5.303 5.303 4.923 0.380 18277 6207 1 8 . 1 1 45 45 THR C C 44 171.480 171.480 172.909 -1.429 18277 6208 1 8 . 1 1 45 45 THR CA C 44 62.732 62.732 61.097 1.635 18277 6209 1 8 . 1 1 45 45 THR CB C 44 72.378 72.378 72.318 0.060 18277 6210 1 8 . 1 1 45 45 THR H H 44 7.551 7.551 8.198 -0.647 18277 6211 1 8 . 1 1 46 46 LEU N N 45 130.323 130.323 125.542 4.781 18277 6212 1 8 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.158 -0.204 18277 6213 1 8 . 1 1 46 46 LEU C C 45 174.048 174.048 173.879 0.169 18277 6214 1 8 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.400 -0.043 18277 6215 1 8 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.437 -0.702 18277 6216 1 8 . 1 1 46 46 LEU H H 45 9.590 9.590 8.686 0.904 18277 6217 1 8 . 1 1 47 47 LEU N N 46 127.468 127.468 125.718 1.750 18277 6218 1 8 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.045 0.105 18277 6219 1 8 . 1 1 47 47 LEU C C 46 173.309 173.309 174.777 -1.468 18277 6220 1 8 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.504 0.083 18277 6221 1 8 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.839 1.283 18277 6222 1 8 . 1 1 47 47 LEU H H 46 9.673 9.673 9.131 0.542 18277 6223 1 8 . 1 1 48 48 GLU N N 47 131.371 131.371 129.108 2.263 18277 6224 1 8 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.920 0.302 18277 6225 1 8 . 1 1 48 48 GLU C C 47 173.970 173.970 174.947 -0.977 18277 6226 1 8 . 1 1 48 48 GLU CA C 47 54.673 54.673 54.853 -0.180 18277 6227 1 8 . 1 1 48 48 GLU CB C 47 31.910 31.910 29.457 2.453 18277 6228 1 8 . 1 1 48 48 GLU H H 47 9.400 9.400 8.618 0.782 18277 6229 1 8 . 1 1 49 49 LEU N N 48 129.742 129.742 126.845 2.897 18277 6230 1 8 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.479 0.508 18277 6231 1 8 . 1 1 49 49 LEU C C 48 174.115 174.115 175.222 -1.107 18277 6232 1 8 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.664 0.009 18277 6233 1 8 . 1 1 49 49 LEU CB C 48 45.638 45.638 42.679 2.959 18277 6234 1 8 . 1 1 49 49 LEU H H 48 9.433 9.433 7.998 1.435 18277 6235 1 8 . 1 1 50 50 HIS N N 49 126.356 126.356 126.186 0.170 18277 6236 1 8 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.558 -0.138 18277 6237 1 8 . 1 1 50 50 HIS C C 49 174.293 174.293 174.729 -0.436 18277 6238 1 8 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.407 2.219 18277 6239 1 8 . 1 1 50 50 HIS CB C 49 33.850 33.850 31.937 1.913 18277 6240 1 8 . 1 1 50 50 HIS H H 49 9.575 9.575 8.833 0.742 18277 6241 1 8 . 1 1 51 51 ILE N N 50 123.679 123.679 126.664 -2.985 18277 6242 1 8 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.919 0.327 18277 6243 1 8 . 1 1 51 51 ILE C C 50 175.021 175.021 173.843 1.178 18277 6244 1 8 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.762 0.830 18277 6245 1 8 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.767 1.004 18277 6246 1 8 . 1 1 51 51 ILE H H 50 8.991 8.991 8.512 0.479 18277 6247 1 8 . 1 1 52 52 TYR N N 51 126.281 126.281 124.660 1.621 18277 6248 1 8 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.455 0.016 18277 6249 1 8 . 1 1 52 52 TYR C C 51 171.145 171.145 172.916 -1.771 18277 6250 1 8 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.052 0.560 18277 6251 1 8 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.942 0.179 18277 6252 1 8 . 1 1 52 52 TYR H H 51 9.189 9.189 8.309 0.880 18277 6253 1 8 . 1 1 53 53 TYR N N 52 120.025 120.025 121.061 -1.036 18277 6254 1 8 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.092 -0.285 18277 6255 1 8 . 1 1 53 53 TYR C C 52 173.874 173.874 174.150 -0.276 18277 6256 1 8 . 1 1 53 53 TYR CA C 52 56.962 56.962 57.130 -0.168 18277 6257 1 8 . 1 1 53 53 TYR CB C 52 39.544 39.544 40.571 -1.027 18277 6258 1 8 . 1 1 53 53 TYR H H 52 7.985 7.985 8.821 -0.836 18277 6259 1 8 . 1 1 54 54 ASP N N 53 127.411 127.411 122.647 4.764 18277 6260 1 8 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.836 -0.143 18277 6261 1 8 . 1 1 54 54 ASP C C 53 175.962 175.962 175.779 0.183 18277 6262 1 8 . 1 1 54 54 ASP CA C 53 52.977 52.977 52.321 0.656 18277 6263 1 8 . 1 1 54 54 ASP CB C 53 43.028 43.028 42.465 0.563 18277 6264 1 8 . 1 1 54 54 ASP H H 53 7.449 7.449 7.402 0.047 18277 6265 1 8 . 1 1 55 55 HIS N N 54 124.486 124.486 123.283 1.203 18277 6266 1 8 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.216 -0.237 18277 6267 1 8 . 1 1 55 55 HIS C C 54 175.406 175.406 175.279 0.127 18277 6268 1 8 . 1 1 55 55 HIS CA C 54 58.617 58.617 57.594 1.023 18277 6269 1 8 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.378 2.039 18277 6270 1 8 . 1 1 55 55 HIS H H 54 8.512 8.512 8.767 -0.255 18277 6271 1 8 . 1 1 56 56 VAL N N 55 120.625 120.625 119.489 1.136 18277 6272 1 8 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.748 -0.212 18277 6273 1 8 . 1 1 56 56 VAL C C 55 177.379 177.379 176.603 0.776 18277 6274 1 8 . 1 1 56 56 VAL CA C 55 65.174 65.174 66.080 -0.906 18277 6275 1 8 . 1 1 56 56 VAL CB C 55 31.274 31.274 32.198 -0.924 18277 6276 1 8 . 1 1 56 56 VAL H H 55 8.397 8.397 7.862 0.535 18277 6277 1 8 . 1 1 57 57 TYR N N 56 115.771 115.771 115.058 0.713 18277 6278 1 8 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.627 -0.361 18277 6279 1 8 . 1 1 57 57 TYR C C 56 174.645 174.645 175.123 -0.478 18277 6280 1 8 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.583 1.143 18277 6281 1 8 . 1 1 57 57 TYR CB C 56 39.566 39.566 40.514 -0.948 18277 6282 1 8 . 1 1 57 57 TYR H H 56 7.641 7.641 7.459 0.182 18277 6283 1 8 . 1 1 58 58 HIS N N 57 116.177 116.177 116.646 -0.469 18277 6284 1 8 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.192 -0.445 18277 6285 1 8 . 1 1 58 58 HIS C C 57 172.860 172.860 172.778 0.082 18277 6286 1 8 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.439 -0.791 18277 6287 1 8 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.095 -1.793 18277 6288 1 8 . 1 1 58 58 HIS H H 57 7.764 7.764 7.889 -0.125 18277 6289 1 8 . 1 1 59 59 VAL N N 58 104.729 104.729 111.097 -6.368 18277 6290 1 8 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.410 0.290 18277 6291 1 8 . 1 1 59 59 VAL CA C 58 56.332 56.332 59.004 -2.671 18277 6292 1 8 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.649 0.564 18277 6293 1 8 . 1 1 59 59 VAL H H 58 6.310 6.310 7.116 -0.806 18277 6294 1 8 . 1 1 60 60 PRO HA H 59 4.345 4.345 3.918 0.427 18277 6295 1 8 . 1 1 60 60 PRO C C 59 174.254 174.254 175.537 -1.283 18277 6296 1 8 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.731 -0.141 18277 6297 1 8 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.265 -1.489 18277 6298 1 8 . 1 1 61 61 SER N N 60 116.530 116.530 113.016 3.514 18277 6299 1 8 . 1 1 61 61 SER HA H 60 4.899 4.899 4.792 0.107 18277 6300 1 8 . 1 1 61 61 SER CA C 60 57.691 57.691 56.498 1.193 18277 6301 1 8 . 1 1 61 61 SER CB C 60 66.483 66.483 65.667 0.816 18277 6302 1 8 . 1 1 61 61 SER H H 60 8.854 8.854 8.266 0.588 18277 6303 1 8 . 1 1 62 62 ILE HA H 61 5.704 5.704 5.022 0.682 18277 6304 1 8 . 1 1 62 62 ILE C C 61 176.160 176.160 174.723 1.437 18277 6305 1 8 . 1 1 62 62 ILE CA C 61 59.918 59.918 60.981 -1.063 18277 6306 1 8 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.969 -0.180 18277 6307 1 8 . 1 1 63 63 LYS N N 62 123.794 123.794 126.056 -2.262 18277 6308 1 8 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.808 0.886 18277 6309 1 8 . 1 1 63 63 LYS C C 62 174.598 174.598 174.520 0.078 18277 6310 1 8 . 1 1 63 63 LYS CA C 62 54.508 54.508 56.063 -1.555 18277 6311 1 8 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.059 0.644 18277 6312 1 8 . 1 1 63 63 LYS H H 62 9.011 9.011 8.821 0.190 18277 6313 1 8 . 1 1 64 64 PHE N N 63 116.267 116.267 122.299 -6.032 18277 6314 1 8 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.492 0.821 18277 6315 1 8 . 1 1 64 64 PHE C C 63 173.139 173.139 173.660 -0.521 18277 6316 1 8 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.202 1.391 18277 6317 1 8 . 1 1 64 64 PHE CB C 63 42.941 42.941 43.149 -0.208 18277 6318 1 8 . 1 1 64 64 PHE H H 63 9.776 9.776 7.912 1.864 18277 6319 1 8 . 1 1 65 65 ARG N N 64 116.428 116.428 119.553 -3.125 18277 6320 1 8 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.589 0.192 18277 6321 1 8 . 1 1 65 65 ARG C C 64 173.867 173.867 174.821 -0.954 18277 6322 1 8 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.547 1.210 18277 6323 1 8 . 1 1 65 65 ARG CB C 64 35.068 35.068 32.830 2.238 18277 6324 1 8 . 1 1 65 65 ARG H H 64 9.257 9.257 8.200 1.057 18277 6325 1 8 . 1 1 66 66 LEU N N 65 121.826 121.826 124.740 -2.914 18277 6326 1 8 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.289 1.160 18277 6327 1 8 . 1 1 66 66 LEU C C 65 174.002 174.002 176.623 -2.621 18277 6328 1 8 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.742 -1.916 18277 6329 1 8 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.650 4.022 18277 6330 1 8 . 1 1 66 66 LEU H H 65 9.041 9.041 8.737 0.304 18277 6331 1 8 . 1 1 67 67 TRP N N 66 120.671 120.671 123.796 -3.125 18277 6332 1 8 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.102 0.221 18277 6333 1 8 . 1 1 67 67 TRP C C 66 175.763 175.763 175.323 0.440 18277 6334 1 8 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.420 -1.338 18277 6335 1 8 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.627 -0.456 18277 6336 1 8 . 1 1 67 67 TRP H H 66 9.366 9.366 8.740 0.626 18277 6337 1 8 . 1 1 68 68 SER N N 67 117.273 117.273 117.850 -0.577 18277 6338 1 8 . 1 1 68 68 SER HA H 67 5.297 5.297 5.105 0.192 18277 6339 1 8 . 1 1 68 68 SER C C 67 174.327 174.327 174.306 0.021 18277 6340 1 8 . 1 1 68 68 SER CA C 67 56.883 56.883 56.688 0.195 18277 6341 1 8 . 1 1 68 68 SER CB C 67 65.230 65.230 63.995 1.235 18277 6342 1 8 . 1 1 68 68 SER H H 67 9.750 9.750 9.348 0.402 18277 6343 1 8 . 1 1 69 69 LEU N N 68 126.002 126.002 130.342 -4.340 18277 6344 1 8 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.475 0.283 18277 6345 1 8 . 1 1 69 69 LEU C C 68 176.022 176.022 176.343 -0.321 18277 6346 1 8 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.888 -1.509 18277 6347 1 8 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.366 1.005 18277 6348 1 8 . 1 1 69 69 LEU H H 68 8.119 8.119 7.992 0.128 18277 6349 1 8 . 1 1 70 70 ASP N N 69 124.828 124.828 126.005 -1.177 18277 6350 1 8 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.938 -0.157 18277 6351 1 8 . 1 1 70 70 ASP C C 69 176.396 176.396 175.861 0.535 18277 6352 1 8 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.555 0.828 18277 6353 1 8 . 1 1 70 70 ASP CB C 69 41.992 41.992 43.100 -1.108 18277 6354 1 8 . 1 1 70 70 ASP H H 69 8.572 8.572 8.110 0.462 18277 6355 1 8 . 1 1 71 71 THR N N 70 114.913 114.913 114.435 0.478 18277 6356 1 8 . 1 1 71 71 THR HA H 70 4.531 4.531 4.518 0.013 18277 6357 1 8 . 1 1 71 71 THR C C 70 174.451 174.451 175.020 -0.569 18277 6358 1 8 . 1 1 71 71 THR CA C 70 61.742 61.742 61.428 0.313 18277 6359 1 8 . 1 1 71 71 THR CB C 70 69.950 69.950 68.770 1.180 18277 6360 1 8 . 1 1 71 71 THR H H 70 8.403 8.403 8.557 -0.154 18277 6361 1 8 . 1 1 72 72 GLU N N 71 123.605 123.605 121.920 1.685 18277 6362 1 8 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.075 0.166 18277 6363 1 8 . 1 1 72 72 GLU C C 71 176.451 176.451 177.184 -0.733 18277 6364 1 8 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.862 -1.655 18277 6365 1 8 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.581 0.829 18277 6366 1 8 . 1 1 72 72 GLU H H 71 8.542 8.542 8.546 -0.004 18277 6367 1 8 . 1 1 73 73 GLU N N 72 119.641 119.641 116.698 2.943 18277 6368 1 8 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.420 -0.309 18277 6369 1 8 . 1 1 73 73 GLU C C 72 175.577 175.577 175.766 -0.189 18277 6370 1 8 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.124 0.973 18277 6371 1 8 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.543 -1.200 18277 6372 1 8 . 1 1 73 73 GLU H H 72 8.503 8.503 8.052 0.451 18277 6373 1 8 . 1 1 74 74 ASP N N 73 117.882 117.882 118.638 -0.756 18277 6374 1 8 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.454 0.117 18277 6375 1 8 . 1 1 74 74 ASP C C 73 176.077 176.077 175.219 0.858 18277 6376 1 8 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.037 -0.543 18277 6377 1 8 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.531 1.407 18277 6378 1 8 . 1 1 74 74 ASP H H 73 8.228 8.228 8.196 0.032 18277 6379 1 8 . 1 1 75 75 ILE N N 74 120.809 120.809 115.087 5.722 18277 6380 1 8 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.363 -0.154 18277 6381 1 8 . 1 1 75 75 ILE C C 74 175.939 175.939 175.730 0.209 18277 6382 1 8 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.687 0.639 18277 6383 1 8 . 1 1 75 75 ILE CB C 74 38.669 38.669 37.746 0.923 18277 6384 1 8 . 1 1 75 75 ILE H H 74 8.089 8.089 7.878 0.211 18277 6385 1 8 . 1 1 76 76 SER N N 75 119.402 119.402 115.780 3.622 18277 6386 1 8 . 1 1 76 76 SER HA H 75 4.652 4.652 4.223 0.429 18277 6387 1 8 . 1 1 76 76 SER C C 75 174.313 174.313 173.980 0.333 18277 6388 1 8 . 1 1 76 76 SER CA C 75 58.778 58.778 58.415 0.363 18277 6389 1 8 . 1 1 76 76 SER CB C 75 63.860 63.860 62.656 1.204 18277 6390 1 8 . 1 1 76 76 SER H H 75 8.449 8.449 8.143 0.306 18277 6391 1 8 . 1 1 77 77 SER N N 76 118.644 118.644 115.234 3.410 18277 6392 1 8 . 1 1 77 77 SER HA H 76 4.588 4.588 4.489 0.099 18277 6393 1 8 . 1 1 77 77 SER C C 76 173.094 173.094 173.319 -0.225 18277 6394 1 8 . 1 1 77 77 SER CA C 76 57.772 57.772 58.372 -0.600 18277 6395 1 8 . 1 1 77 77 SER CB C 76 64.461 64.461 64.274 0.187 18277 6396 1 8 . 1 1 77 77 SER H H 76 8.280 8.280 7.671 0.609 18277 6397 1 8 . 1 1 78 78 LEU N N 77 123.896 123.896 114.950 8.946 18277 6398 1 8 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.089 -0.091 18277 6399 1 8 . 1 1 78 78 LEU C C 77 177.081 177.081 175.223 1.858 18277 6400 1 8 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.338 0.670 18277 6401 1 8 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.653 -1.632 18277 6402 1 8 . 1 1 78 78 LEU H H 77 7.981 7.981 8.255 -0.275 18277 6403 1 8 . 1 1 79 79 ARG N N 78 123.195 123.195 121.408 1.787 18277 6404 1 8 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.779 0.180 18277 6405 1 8 . 1 1 79 79 ARG C C 78 174.994 174.994 174.513 0.481 18277 6406 1 8 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.067 -0.403 18277 6407 1 8 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.321 -0.041 18277 6408 1 8 . 1 1 79 79 ARG H H 78 9.013 9.013 8.256 0.757 18277 6409 1 8 . 1 1 80 80 LEU N N 79 128.388 128.388 126.585 1.803 18277 6410 1 8 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.939 -0.161 18277 6411 1 8 . 1 1 80 80 LEU C C 79 177.216 177.216 175.713 1.503 18277 6412 1 8 . 1 1 80 80 LEU CA C 79 56.049 56.049 56.008 0.041 18277 6413 1 8 . 1 1 80 80 LEU CB C 79 42.285 42.285 42.016 0.270 18277 6414 1 8 . 1 1 80 80 LEU H H 79 8.807 8.807 8.766 0.041 18277 6415 1 8 . 1 1 81 81 LEU N N 80 127.521 127.521 126.963 0.558 18277 6416 1 8 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.569 -0.006 18277 6417 1 8 . 1 1 81 81 LEU C C 80 176.354 176.354 176.204 0.150 18277 6418 1 8 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.319 -0.158 18277 6419 1 8 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.516 -0.106 18277 6420 1 8 . 1 1 81 81 LEU H H 80 8.478 8.478 8.302 0.176 18277 6421 1 8 . 1 1 82 82 THR N N 81 121.108 121.108 117.973 3.135 18277 6422 1 8 . 1 1 82 82 THR HA H 81 4.391 4.391 4.529 -0.138 18277 6423 1 8 . 1 1 82 82 THR C C 81 173.678 173.678 174.202 -0.524 18277 6424 1 8 . 1 1 82 82 THR CA C 81 61.112 61.112 61.848 -0.736 18277 6425 1 8 . 1 1 82 82 THR CB C 81 68.941 68.941 68.789 0.152 18277 6426 1 8 . 1 1 82 82 THR H H 81 8.735 8.735 8.322 0.413 18277 6427 1 8 . 1 1 83 83 LEU N N 82 125.276 125.276 124.322 0.954 18277 6428 1 8 . 1 1 83 83 LEU HA H 82 4.771 4.771 5.020 -0.249 18277 6429 1 8 . 1 1 83 83 LEU C C 82 177.192 177.192 176.802 0.390 18277 6430 1 8 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.055 0.359 18277 6431 1 8 . 1 1 83 83 LEU CB C 82 44.525 44.525 42.961 1.564 18277 6432 1 8 . 1 1 83 83 LEU H H 82 7.985 7.985 8.126 -0.141 18277 6433 1 8 . 1 1 84 84 SER N N 83 118.590 118.590 114.415 4.175 18277 6434 1 8 . 1 1 84 84 SER HA H 83 4.591 4.591 4.323 0.268 18277 6435 1 8 . 1 1 84 84 SER C C 83 174.317 174.317 175.535 -1.218 18277 6436 1 8 . 1 1 84 84 SER CA C 83 57.202 57.202 59.189 -1.987 18277 6437 1 8 . 1 1 84 84 SER CB C 83 65.345 65.345 64.318 1.027 18277 6438 1 8 . 1 1 84 84 SER H H 83 9.214 9.214 8.375 0.839 18277 6439 1 8 . 1 1 85 85 ASP N N 84 121.149 121.149 120.192 0.957 18277 6440 1 8 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.580 -0.237 18277 6441 1 8 . 1 1 85 85 ASP C C 84 178.027 178.027 178.041 -0.014 18277 6442 1 8 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.302 1.489 18277 6443 1 8 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.883 1.103 18277 6444 1 8 . 1 1 85 85 ASP H H 84 9.014 9.014 8.827 0.187 18277 6445 1 8 . 1 1 86 86 SER N N 85 111.874 111.874 115.132 -3.258 18277 6446 1 8 . 1 1 86 86 SER HA H 85 4.110 4.110 4.204 -0.094 18277 6447 1 8 . 1 1 86 86 SER C C 85 177.696 177.696 176.465 1.231 18277 6448 1 8 . 1 1 86 86 SER CA C 85 61.560 61.560 61.586 -0.026 18277 6449 1 8 . 1 1 86 86 SER CB C 85 62.355 62.355 63.102 -0.747 18277 6450 1 8 . 1 1 86 86 SER H H 85 8.467 8.467 8.399 0.068 18277 6451 1 8 . 1 1 87 87 GLU N N 86 122.948 122.948 119.538 3.410 18277 6452 1 8 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.131 -0.054 18277 6453 1 8 . 1 1 87 87 GLU C C 86 180.335 180.335 178.816 1.519 18277 6454 1 8 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.839 0.197 18277 6455 1 8 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.329 1.490 18277 6456 1 8 . 1 1 87 87 GLU H H 86 7.660 7.660 8.642 -0.982 18277 6457 1 8 . 1 1 88 88 LEU N N 87 122.341 122.341 121.442 0.899 18277 6458 1 8 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.103 -0.220 18277 6459 1 8 . 1 1 88 88 LEU C C 87 178.818 178.818 178.315 0.503 18277 6460 1 8 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.737 0.337 18277 6461 1 8 . 1 1 88 88 LEU CB C 87 42.371 42.371 42.113 0.258 18277 6462 1 8 . 1 1 88 88 LEU H H 87 8.878 8.878 7.445 1.433 18277 6463 1 8 . 1 1 89 89 ARG N N 88 115.874 115.874 118.978 -3.104 18277 6464 1 8 . 1 1 89 89 ARG HA H 88 4.126 4.126 3.879 0.247 18277 6465 1 8 . 1 1 89 89 ARG C C 88 176.552 176.552 177.738 -1.186 18277 6466 1 8 . 1 1 89 89 ARG CA C 88 58.720 58.720 57.874 0.846 18277 6467 1 8 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.155 0.630 18277 6468 1 8 . 1 1 89 89 ARG H H 88 7.956 7.956 8.546 -0.590 18277 6469 1 8 . 1 1 90 90 SER N N 89 112.295 112.295 113.701 -1.406 18277 6470 1 8 . 1 1 90 90 SER HA H 89 4.565 4.565 4.257 0.308 18277 6471 1 8 . 1 1 90 90 SER C C 89 174.817 174.817 175.789 -0.972 18277 6472 1 8 . 1 1 90 90 SER CA C 89 60.043 60.043 60.981 -0.938 18277 6473 1 8 . 1 1 90 90 SER CB C 89 63.858 63.858 63.236 0.622 18277 6474 1 8 . 1 1 90 90 SER H H 89 7.481 7.481 7.400 0.081 18277 6475 1 8 . 1 1 91 91 ILE N N 90 116.577 116.577 113.656 2.921 18277 6476 1 8 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.234 0.204 18277 6477 1 8 . 1 1 91 91 ILE C C 90 174.636 174.636 175.563 -0.927 18277 6478 1 8 . 1 1 91 91 ILE CA C 90 62.262 62.262 62.006 0.256 18277 6479 1 8 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.577 2.032 18277 6480 1 8 . 1 1 91 91 ILE H H 90 7.372 7.372 7.874 -0.502 18277 6481 1 8 . 1 1 92 92 LEU N N 91 119.723 119.723 119.174 0.549 18277 6482 1 8 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.323 0.318 18277 6483 1 8 . 1 1 92 92 LEU C C 91 175.178 175.178 175.933 -0.755 18277 6484 1 8 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.334 -1.522 18277 6485 1 8 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.740 0.933 18277 6486 1 8 . 1 1 92 92 LEU H H 91 7.900 7.900 7.547 0.353 18277 6487 1 8 . 1 1 93 93 ASN N N 92 119.687 119.687 115.441 4.246 18277 6488 1 8 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.861 0.122 18277 6489 1 8 . 1 1 93 93 ASN C C 92 174.978 174.978 174.887 0.091 18277 6490 1 8 . 1 1 93 93 ASN CA C 92 51.371 51.371 53.017 -1.646 18277 6491 1 8 . 1 1 93 93 ASN CB C 92 37.731 37.731 40.927 -3.196 18277 6492 1 8 . 1 1 93 93 ASN H H 92 8.916 8.916 8.458 0.458 18277 6493 1 8 . 1 1 94 94 LEU N N 93 121.052 121.052 123.871 -2.819 18277 6494 1 8 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.396 -0.450 18277 6495 1 8 . 1 1 94 94 LEU C C 93 177.367 177.367 178.908 -1.541 18277 6496 1 8 . 1 1 94 94 LEU CA C 93 57.051 57.051 57.586 -0.535 18277 6497 1 8 . 1 1 94 94 LEU CB C 93 42.772 42.772 41.281 1.491 18277 6498 1 8 . 1 1 94 94 LEU H H 93 8.172 8.172 8.614 -0.442 18277 6499 1 8 . 1 1 95 95 GLY N N 94 105.340 105.340 108.797 -3.457 18277 6500 1 8 . 1 1 95 95 GLY C C 94 176.133 176.133 175.461 0.672 18277 6501 1 8 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.008 0.341 18277 6502 1 8 . 1 1 95 95 GLY H H 94 8.281 8.281 8.359 -0.078 18277 6503 1 8 . 1 1 96 96 THR N N 95 117.040 117.040 118.394 -1.354 18277 6504 1 8 . 1 1 96 96 THR HA H 95 4.242 4.242 4.422 -0.180 18277 6505 1 8 . 1 1 96 96 THR C C 95 175.349 175.349 173.105 2.244 18277 6506 1 8 . 1 1 96 96 THR CA C 95 61.859 61.859 60.763 1.096 18277 6507 1 8 . 1 1 96 96 THR CB C 95 68.399 68.399 69.289 -0.890 18277 6508 1 8 . 1 1 96 96 THR H H 95 8.419 8.419 8.103 0.316 18277 6509 1 8 . 1 1 97 97 PHE N N 96 122.590 122.590 118.920 3.670 18277 6510 1 8 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.692 0.030 18277 6511 1 8 . 1 1 97 97 PHE C C 96 174.704 174.704 174.311 0.393 18277 6512 1 8 . 1 1 97 97 PHE CA C 96 58.599 58.599 56.735 1.864 18277 6513 1 8 . 1 1 97 97 PHE CB C 96 39.149 39.149 41.441 -2.292 18277 6514 1 8 . 1 1 97 97 PHE H H 96 8.517 8.517 7.955 0.562 18277 6515 1 8 . 1 1 98 98 SER N N 97 114.201 114.201 113.461 0.740 18277 6516 1 8 . 1 1 98 98 SER HA H 97 4.859 4.859 4.833 0.026 18277 6517 1 8 . 1 1 98 98 SER C C 97 173.002 173.002 172.586 0.416 18277 6518 1 8 . 1 1 98 98 SER CA C 97 57.346 57.346 57.913 -0.567 18277 6519 1 8 . 1 1 98 98 SER CB C 97 65.739 65.739 65.967 -0.228 18277 6520 1 8 . 1 1 98 98 SER H H 97 9.129 9.129 8.495 0.634 18277 6521 1 8 . 1 1 99 99 VAL N N 98 120.191 120.191 119.704 0.487 18277 6522 1 8 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.504 1.015 18277 6523 1 8 . 1 1 99 99 VAL C C 98 175.574 175.574 173.934 1.640 18277 6524 1 8 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.542 -1.152 18277 6525 1 8 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.435 -0.009 18277 6526 1 8 . 1 1 99 99 VAL H H 98 8.655 8.655 8.539 0.116 18277 6527 1 8 . 1 1 100 100 THR N N 99 120.623 120.623 118.853 1.770 18277 6528 1 8 . 1 1 100 100 THR HA H 99 4.729 4.729 4.708 0.021 18277 6529 1 8 . 1 1 100 100 THR C C 99 172.605 172.605 172.276 0.329 18277 6530 1 8 . 1 1 100 100 THR CA C 99 61.114 61.114 61.543 -0.429 18277 6531 1 8 . 1 1 100 100 THR CB C 99 71.850 71.850 71.350 0.500 18277 6532 1 8 . 1 1 100 100 THR H H 99 8.997 8.997 8.776 0.221 18277 6533 1 8 . 1 1 101 101 LEU N N 100 127.613 127.613 129.190 -1.577 18277 6534 1 8 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.327 -0.378 18277 6535 1 8 . 1 1 101 101 LEU C C 100 176.666 176.666 175.328 1.338 18277 6536 1 8 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.715 0.974 18277 6537 1 8 . 1 1 101 101 LEU CB C 100 43.166 43.166 44.065 -0.899 18277 6538 1 8 . 1 1 101 101 LEU H H 100 8.766 8.766 8.513 0.253 18277 6539 1 8 . 1 1 102 102 SER N N 101 119.771 119.771 121.447 -1.676 18277 6540 1 8 . 1 1 102 102 SER HA H 101 4.749 4.749 5.053 -0.304 18277 6541 1 8 . 1 1 102 102 SER C C 101 173.477 173.477 172.572 0.905 18277 6542 1 8 . 1 1 102 102 SER CA C 101 57.514 57.514 56.746 0.768 18277 6543 1 8 . 1 1 102 102 SER CB C 101 65.024 65.024 65.199 -0.175 18277 6544 1 8 . 1 1 102 102 SER H H 101 8.926 8.926 8.742 0.184 18277 6545 1 8 . 1 1 103 103 THR N N 102 117.853 117.853 113.769 4.084 18277 6546 1 8 . 1 1 103 103 THR HA H 102 4.618 4.618 5.245 -0.627 18277 6547 1 8 . 1 1 103 103 THR C C 102 174.020 174.020 173.816 0.204 18277 6548 1 8 . 1 1 103 103 THR CA C 102 61.991 61.991 60.459 1.532 18277 6549 1 8 . 1 1 103 103 THR CB C 102 69.972 69.972 71.281 -1.309 18277 6550 1 8 . 1 1 103 103 THR H H 102 8.409 8.409 8.162 0.247 18277 6551 1 8 . 1 1 104 104 ASP N N 103 125.295 125.295 120.451 4.844 18277 6552 1 8 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.918 -0.210 18277 6553 1 8 . 1 1 104 104 ASP C C 103 176.908 176.908 178.264 -1.356 18277 6554 1 8 . 1 1 104 104 ASP CA C 103 53.559 53.559 52.827 0.732 18277 6555 1 8 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.546 -0.301 18277 6556 1 8 . 1 1 104 104 ASP H H 103 8.598 8.598 8.325 0.273 18277 6557 1 8 . 1 1 105 105 MET N N 104 122.470 122.470 121.341 1.129 18277 6558 1 8 . 1 1 105 105 MET HA H 104 4.270 4.270 4.258 0.012 18277 6559 1 8 . 1 1 105 105 MET C C 104 177.354 177.354 176.999 0.355 18277 6560 1 8 . 1 1 105 105 MET CA C 104 57.300 57.300 58.014 -0.714 18277 6561 1 8 . 1 1 105 105 MET CB C 104 32.108 32.108 32.726 -0.618 18277 6562 1 8 . 1 1 105 105 MET H H 104 8.719 8.719 8.605 0.114 18277 6563 1 8 . 1 1 106 106 GLU N N 105 118.752 118.752 117.508 1.244 18277 6564 1 8 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.216 0.020 18277 6565 1 8 . 1 1 106 106 GLU C C 105 177.172 177.172 176.548 0.624 18277 6566 1 8 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.226 1.503 18277 6567 1 8 . 1 1 106 106 GLU CB C 105 29.776 29.776 30.140 -0.364 18277 6568 1 8 . 1 1 106 106 GLU H H 105 8.306 8.306 8.117 0.189 18277 6569 1 8 . 1 1 107 107 MET N N 106 116.736 116.736 115.322 1.414 18277 6570 1 8 . 1 1 107 107 MET HA H 106 4.329 4.329 4.206 0.123 18277 6571 1 8 . 1 1 107 107 MET C C 106 176.319 176.319 175.745 0.574 18277 6572 1 8 . 1 1 107 107 MET CA C 106 55.514 55.514 56.560 -1.046 18277 6573 1 8 . 1 1 107 107 MET CB C 106 31.566 31.566 31.610 -0.044 18277 6574 1 8 . 1 1 107 107 MET H H 106 8.206 8.206 7.889 0.317 18277 6575 1 8 . 1 1 108 108 LYS N N 107 117.661 117.661 117.711 -0.050 18277 6576 1 8 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.338 -0.252 18277 6577 1 8 . 1 1 108 108 LYS C C 107 176.049 176.049 175.850 0.199 18277 6578 1 8 . 1 1 108 108 LYS CA C 107 57.100 57.100 57.131 -0.031 18277 6579 1 8 . 1 1 108 108 LYS CB C 107 30.890 30.890 33.234 -2.344 18277 6580 1 8 . 1 1 108 108 LYS H H 107 8.382 8.382 7.879 0.503 18277 6581 1 8 . 1 1 109 109 SER N N 108 113.019 113.019 116.392 -3.373 18277 6582 1 8 . 1 1 109 109 SER HA H 108 4.566 4.566 4.494 0.072 18277 6583 1 8 . 1 1 109 109 SER C C 108 172.969 172.969 172.320 0.649 18277 6584 1 8 . 1 1 109 109 SER CA C 108 56.997 56.997 57.736 -0.739 18277 6585 1 8 . 1 1 109 109 SER CB C 108 65.035 65.035 64.462 0.573 18277 6586 1 8 . 1 1 109 109 SER H H 108 7.892 7.892 7.799 0.093 18277 6587 1 8 . 1 1 110 110 VAL N N 109 121.915 121.915 121.760 0.155 18277 6588 1 8 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.567 -0.165 18277 6589 1 8 . 1 1 110 110 VAL C C 109 174.706 174.706 173.940 0.766 18277 6590 1 8 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.469 1.505 18277 6591 1 8 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.447 -2.367 18277 6592 1 8 . 1 1 110 110 VAL H H 109 7.878 7.878 7.890 -0.012 18277 6593 1 8 . 1 1 111 111 TYR N N 110 122.247 122.247 119.851 2.396 18277 6594 1 8 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.631 -0.295 18277 6595 1 8 . 1 1 111 111 TYR C C 110 173.915 173.915 173.747 0.168 18277 6596 1 8 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.457 1.806 18277 6597 1 8 . 1 1 111 111 TYR CB C 110 43.222 43.222 40.805 2.417 18277 6598 1 8 . 1 1 111 111 TYR H H 110 8.317 8.317 8.477 -0.160 18277 6599 1 8 . 1 1 112 112 TYR N N 111 117.096 117.096 119.059 -1.963 18277 6600 1 8 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.812 0.057 18277 6601 1 8 . 1 1 112 112 TYR C C 111 175.418 175.418 175.225 0.193 18277 6602 1 8 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.357 0.826 18277 6603 1 8 . 1 1 112 112 TYR CB C 111 38.681 38.681 37.282 1.399 18277 6604 1 8 . 1 1 112 112 TYR H H 111 8.690 8.690 8.644 0.046 18277 6605 1 8 . 1 1 113 113 TYR N N 112 120.208 120.208 122.809 -2.601 18277 6606 1 8 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.829 0.110 18277 6607 1 8 . 1 1 113 113 TYR C C 112 176.674 176.674 176.514 0.160 18277 6608 1 8 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.756 -1.189 18277 6609 1 8 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.295 2.629 18277 6610 1 8 . 1 1 113 113 TYR H H 112 9.374 9.374 9.002 0.372 18277 6611 1 8 . 1 1 114 114 ILE N N 113 121.490 121.490 125.441 -3.951 18277 6612 1 8 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.167 0.654 18277 6613 1 8 . 1 1 114 114 ILE C C 113 176.329 176.329 176.176 0.153 18277 6614 1 8 . 1 1 114 114 ILE CA C 113 60.039 60.039 61.775 -1.736 18277 6615 1 8 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.603 -1.639 18277 6616 1 8 . 1 1 114 114 ILE H H 113 8.076 8.076 8.013 0.063 18277 6617 1 8 . 1 1 115 115 ASN N N 114 129.212 129.212 125.950 3.262 18277 6618 1 8 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.671 0.030 18277 6619 1 8 . 1 1 115 115 ASN C C 114 175.914 175.914 174.780 1.134 18277 6620 1 8 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.752 0.270 18277 6621 1 8 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.724 -0.175 18277 6622 1 8 . 1 1 115 115 ASN H H 114 8.959 8.959 8.161 0.798 18277 6623 1 8 . 1 1 116 116 ASN N N 115 121.613 121.613 121.111 0.502 18277 6624 1 8 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.240 -0.371 18277 6625 1 8 . 1 1 116 116 ASN C C 115 178.040 178.040 174.259 3.781 18277 6626 1 8 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.783 -0.003 18277 6627 1 8 . 1 1 116 116 ASN CB C 115 39.096 39.096 38.747 0.349 18277 6628 1 8 . 1 1 116 116 ASN H H 115 8.464 8.464 8.545 -0.081 18277 6629 1 8 . 1 1 117 117 CYS N N 116 120.777 120.777 116.157 4.620 18277 6630 1 8 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.598 0.146 18277 6631 1 8 . 1 1 117 117 CYS C C 116 174.635 174.635 175.018 -0.383 18277 6632 1 8 . 1 1 117 117 CYS CA C 116 60.087 60.087 59.635 0.452 18277 6633 1 8 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.518 -0.062 18277 6634 1 8 . 1 1 117 117 CYS H H 116 8.256 8.256 7.818 0.438 18277 6635 1 8 . 1 1 118 118 ASP N N 117 119.926 119.926 121.901 -1.975 18277 6636 1 8 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.754 0.145 18277 6637 1 8 . 1 1 118 118 ASP C C 117 176.225 176.225 175.953 0.272 18277 6638 1 8 . 1 1 118 118 ASP CA C 117 53.410 53.410 54.077 -0.667 18277 6639 1 8 . 1 1 118 118 ASP CB C 117 40.174 40.174 38.635 1.539 18277 6640 1 8 . 1 1 118 118 ASP H H 117 8.420 8.420 8.407 0.013 18277 6641 1 8 . 1 1 119 119 THR N N 118 116.185 116.185 115.477 0.708 18277 6642 1 8 . 1 1 119 119 THR HA H 118 4.315 4.315 4.132 0.183 18277 6643 1 8 . 1 1 119 119 THR C C 118 175.349 175.349 175.849 -0.500 18277 6644 1 8 . 1 1 119 119 THR CA C 118 66.029 66.029 67.373 -1.344 18277 6645 1 8 . 1 1 119 119 THR CB C 118 69.654 69.654 69.253 0.401 18277 6646 1 8 . 1 1 119 119 THR H H 118 7.712 7.712 7.613 0.099 18277 6647 1 8 . 1 1 120 120 ASP N N 119 120.938 120.938 120.972 -0.034 18277 6648 1 8 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.725 -0.192 18277 6649 1 8 . 1 1 120 120 ASP C C 119 177.991 177.991 177.942 0.049 18277 6650 1 8 . 1 1 120 120 ASP CA C 119 56.906 56.906 56.916 -0.010 18277 6651 1 8 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.105 0.832 18277 6652 1 8 . 1 1 120 120 ASP H H 119 8.730 8.730 8.822 -0.092 18277 6653 1 8 . 1 1 121 121 ALA N N 120 122.818 122.818 119.479 3.339 18277 6654 1 8 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.275 -0.097 18277 6655 1 8 . 1 1 121 121 ALA C C 120 178.787 178.787 178.825 -0.038 18277 6656 1 8 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.814 0.077 18277 6657 1 8 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.666 -0.195 18277 6658 1 8 . 1 1 121 121 ALA H H 120 8.033 8.033 8.126 -0.093 18277 6659 1 8 . 1 1 122 122 ASN N N 121 116.085 116.085 116.500 -0.415 18277 6660 1 8 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.596 0.038 18277 6661 1 8 . 1 1 122 122 ASN C C 121 176.235 176.235 176.534 -0.299 18277 6662 1 8 . 1 1 122 122 ASN CA C 121 54.496 54.496 55.908 -1.412 18277 6663 1 8 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.671 -0.782 18277 6664 1 8 . 1 1 122 122 ASN H H 121 8.128 8.128 8.066 0.062 18277 6665 1 8 . 1 1 123 123 VAL N N 122 117.803 117.803 117.388 0.415 18277 6666 1 8 . 1 1 123 123 VAL HA H 122 3.962 3.962 4.336 -0.374 18277 6667 1 8 . 1 1 123 123 VAL C C 122 176.973 176.973 176.078 0.895 18277 6668 1 8 . 1 1 123 123 VAL CA C 122 63.916 63.916 62.601 1.315 18277 6669 1 8 . 1 1 123 123 VAL CB C 122 32.895 32.895 33.994 -1.099 18277 6670 1 8 . 1 1 123 123 VAL H H 122 8.262 8.262 8.371 -0.109 18277 6671 1 8 . 1 1 124 124 GLY N N 123 110.472 110.472 109.346 1.126 18277 6672 1 8 . 1 1 124 124 GLY C C 123 174.107 174.107 174.911 -0.804 18277 6673 1 8 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.911 -1.510 18277 6674 1 8 . 1 1 124 124 GLY H H 123 8.172 8.172 7.927 0.245 18277 6675 1 8 . 1 1 125 125 SER N N 124 113.065 113.065 114.638 -1.573 18277 6676 1 8 . 1 1 125 125 SER HA H 124 4.529 4.529 4.333 0.196 18277 6677 1 8 . 1 1 125 125 SER C C 124 174.664 174.664 173.544 1.120 18277 6678 1 8 . 1 1 125 125 SER CA C 124 58.981 58.981 60.622 -1.641 18277 6679 1 8 . 1 1 125 125 SER CB C 124 64.492 64.492 64.142 0.350 18277 6680 1 8 . 1 1 125 125 SER H H 124 8.139 8.139 8.462 -0.323 18277 6681 1 8 . 1 1 126 126 ASP N N 125 121.312 121.312 115.944 5.368 18277 6682 1 8 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.708 -0.001 18277 6683 1 8 . 1 1 126 126 ASP C C 125 177.029 177.029 174.760 2.269 18277 6684 1 8 . 1 1 126 126 ASP CA C 125 54.232 54.232 53.038 1.194 18277 6685 1 8 . 1 1 126 126 ASP CB C 125 40.878 40.878 42.365 -1.487 18277 6686 1 8 . 1 1 126 126 ASP H H 125 8.146 8.146 8.048 0.098 18277 6687 1 8 . 1 1 127 127 VAL N N 126 123.444 123.444 120.174 3.270 18277 6688 1 8 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.649 0.177 18277 6689 1 8 . 1 1 127 127 VAL C C 126 177.304 177.304 177.265 0.039 18277 6690 1 8 . 1 1 127 127 VAL CA C 126 65.899 65.899 63.821 2.078 18277 6691 1 8 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.932 0.290 18277 6692 1 8 . 1 1 127 127 VAL H H 126 8.474 8.474 8.381 0.093 18277 6693 1 8 . 1 1 128 128 GLU N N 127 120.874 120.874 119.852 1.022 18277 6694 1 8 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.110 -0.177 18277 6695 1 8 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.989 -0.329 18277 6696 1 8 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.378 -0.298 18277 6697 1 8 . 1 1 128 128 GLU H H 127 8.504 8.504 8.437 0.067 18277 6698 1 8 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.980 -0.231 18277 6699 1 8 . 1 1 129 129 HIS C C 128 174.898 174.898 174.962 -0.064 18277 6700 1 8 . 1 1 129 129 HIS CA C 128 56.448 56.448 53.883 2.565 18277 6701 1 8 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.527 0.518 18277 6702 1 8 . 1 1 130 130 TYR N N 129 122.615 122.615 122.896 -0.281 18277 6703 1 8 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.412 -0.412 18277 6704 1 8 . 1 1 130 130 TYR C C 129 178.544 178.544 176.572 1.972 18277 6705 1 8 . 1 1 130 130 TYR CA C 129 62.108 62.108 62.153 -0.045 18277 6706 1 8 . 1 1 130 130 TYR CB C 129 39.542 39.542 39.104 0.438 18277 6707 1 8 . 1 1 130 130 TYR H H 129 8.118 8.118 7.784 0.334 18277 6708 1 8 . 1 1 131 131 LEU N N 130 116.037 116.037 118.401 -2.364 18277 6709 1 8 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.351 -0.002 18277 6710 1 8 . 1 1 131 131 LEU C C 130 179.368 179.368 179.038 0.330 18277 6711 1 8 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.501 1.315 18277 6712 1 8 . 1 1 131 131 LEU CB C 130 41.369 41.369 41.099 0.270 18277 6713 1 8 . 1 1 131 131 LEU H H 130 9.092 9.092 8.554 0.538 18277 6714 1 8 . 1 1 132 132 THR N N 131 113.629 113.629 109.766 3.863 18277 6715 1 8 . 1 1 132 132 THR HA H 131 4.007 4.007 4.245 -0.238 18277 6716 1 8 . 1 1 132 132 THR C C 131 177.255 177.255 176.391 0.864 18277 6717 1 8 . 1 1 132 132 THR CA C 131 66.505 66.505 64.819 1.686 18277 6718 1 8 . 1 1 132 132 THR CB C 131 68.052 68.052 68.396 -0.344 18277 6719 1 8 . 1 1 132 132 THR H H 131 8.129 8.129 7.947 0.182 18277 6720 1 8 . 1 1 133 133 ARG N N 132 124.720 124.720 123.074 1.646 18277 6721 1 8 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.198 -0.082 18277 6722 1 8 . 1 1 133 133 ARG C C 132 178.921 178.921 178.214 0.707 18277 6723 1 8 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.568 1.469 18277 6724 1 8 . 1 1 133 133 ARG CB C 132 30.274 30.274 29.775 0.499 18277 6725 1 8 . 1 1 133 133 ARG H H 132 8.187 8.187 8.015 0.172 18277 6726 1 8 . 1 1 134 134 TRP N N 133 120.307 120.307 120.479 -0.172 18277 6727 1 8 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.245 -0.018 18277 6728 1 8 . 1 1 134 134 TRP C C 133 177.823 177.823 177.906 -0.083 18277 6729 1 8 . 1 1 134 134 TRP CA C 133 62.470 62.470 62.116 0.354 18277 6730 1 8 . 1 1 134 134 TRP CB C 133 28.755 28.755 28.912 -0.157 18277 6731 1 8 . 1 1 134 134 TRP H H 133 9.167 9.167 8.668 0.499 18277 6732 1 8 . 1 1 135 135 ILE N N 134 117.595 117.595 118.349 -0.754 18277 6733 1 8 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.216 0.367 18277 6734 1 8 . 1 1 135 135 ILE C C 134 176.333 176.333 177.628 -1.295 18277 6735 1 8 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.895 -3.187 18277 6736 1 8 . 1 1 135 135 ILE CB C 134 37.133 37.133 37.894 -0.761 18277 6737 1 8 . 1 1 135 135 ILE H H 134 9.000 9.000 7.592 1.408 18277 6738 1 8 . 1 1 136 136 SER N N 135 116.548 116.548 114.803 1.745 18277 6739 1 8 . 1 1 136 136 SER HA H 135 3.931 3.931 3.827 0.104 18277 6740 1 8 . 1 1 136 136 SER C C 135 174.339 174.339 175.873 -1.534 18277 6741 1 8 . 1 1 136 136 SER CA C 135 62.535 62.535 61.048 1.487 18277 6742 1 8 . 1 1 136 136 SER CB C 135 62.820 62.820 62.704 0.116 18277 6743 1 8 . 1 1 136 136 SER H H 135 7.592 7.592 7.997 -0.405 18277 6744 1 8 . 1 1 137 137 LEU N N 136 119.693 119.693 120.992 -1.299 18277 6745 1 8 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.130 0.067 18277 6746 1 8 . 1 1 137 137 LEU C C 136 178.376 178.376 178.792 -0.416 18277 6747 1 8 . 1 1 137 137 LEU CA C 136 57.116 57.116 57.508 -0.392 18277 6748 1 8 . 1 1 137 137 LEU CB C 136 42.988 42.988 41.938 1.050 18277 6749 1 8 . 1 1 137 137 LEU H H 136 7.247 7.247 7.860 -0.613 18277 6750 1 8 . 1 1 138 138 TYR N N 137 116.295 116.295 118.605 -2.310 18277 6751 1 8 . 1 1 138 138 TYR HA H 137 3.644 3.644 3.606 0.038 18277 6752 1 8 . 1 1 138 138 TYR C C 137 178.142 178.142 178.721 -0.579 18277 6753 1 8 . 1 1 138 138 TYR CA C 137 61.396 61.396 61.767 -0.371 18277 6754 1 8 . 1 1 138 138 TYR CB C 137 37.907 37.907 37.370 0.537 18277 6755 1 8 . 1 1 138 138 TYR H H 137 8.057 8.057 8.481 -0.424 18277 6756 1 8 . 1 1 139 139 ILE N N 138 117.755 117.755 119.905 -2.150 18277 6757 1 8 . 1 1 139 139 ILE HA H 138 3.818 3.818 3.077 0.741 18277 6758 1 8 . 1 1 139 139 ILE C C 138 176.943 176.943 177.046 -0.103 18277 6759 1 8 . 1 1 139 139 ILE CA C 138 61.684 61.684 63.371 -1.687 18277 6760 1 8 . 1 1 139 139 ILE CB C 138 36.768 36.768 37.128 -0.360 18277 6761 1 8 . 1 1 139 139 ILE H H 138 8.371 8.371 8.541 -0.170 18277 6762 1 8 . 1 1 140 140 ARG N N 139 118.103 118.103 117.490 0.613 18277 6763 1 8 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.117 -0.042 18277 6764 1 8 . 1 1 140 140 ARG C C 139 176.776 176.776 177.430 -0.654 18277 6765 1 8 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.412 -0.883 18277 6766 1 8 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.932 -0.091 18277 6767 1 8 . 1 1 140 140 ARG H H 139 6.762 6.762 7.807 -1.045 18277 6768 1 8 . 1 1 141 141 ILE N N 140 117.603 117.603 117.319 0.284 18277 6769 1 8 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.803 -0.032 18277 6770 1 8 . 1 1 141 141 ILE C C 140 176.448 176.448 176.816 -0.368 18277 6771 1 8 . 1 1 141 141 ILE CA C 140 63.370 63.370 63.650 -0.280 18277 6772 1 8 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.587 1.232 18277 6773 1 8 . 1 1 141 141 ILE H H 140 7.056 7.056 7.900 -0.844 18277 6774 1 8 . 1 1 142 142 PHE N N 141 114.969 114.969 116.718 -1.749 18277 6775 1 8 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.504 -0.110 18277 6776 1 8 . 1 1 142 142 PHE C C 141 175.503 175.503 175.379 0.124 18277 6777 1 8 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.776 -0.650 18277 6778 1 8 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.086 -0.647 18277 6779 1 8 . 1 1 142 142 PHE H H 141 7.287 7.287 8.052 -0.765 18277 6780 1 8 . 1 1 143 143 ASP N N 142 116.492 116.492 120.702 -4.210 18277 6781 1 8 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.860 -0.115 18277 6782 1 8 . 1 1 143 143 ASP C C 142 175.131 175.131 175.383 -0.252 18277 6783 1 8 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.554 0.459 18277 6784 1 8 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.130 0.866 18277 6785 1 8 . 1 1 143 143 ASP H H 142 7.697 7.697 8.243 -0.546 18277 6786 1 8 . 1 1 144 144 LEU N N 143 126.435 126.435 125.353 1.082 18277 6787 1 8 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.240 -0.054 18277 6788 1 8 . 1 1 144 144 LEU C C 143 177.297 177.297 177.052 0.245 18277 6789 1 8 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.538 1.402 18277 6790 1 8 . 1 1 144 144 LEU CB C 143 42.609 42.609 42.004 0.605 18277 6791 1 8 . 1 1 144 144 LEU H H 143 8.790 8.790 8.654 0.136 18277 6792 1 8 . 1 1 145 145 ASN N N 144 114.711 114.711 115.952 -1.241 18277 6793 1 8 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.788 0.035 18277 6794 1 8 . 1 1 145 145 ASN C C 144 174.879 174.879 174.765 0.114 18277 6795 1 8 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.673 -0.522 18277 6796 1 8 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.365 -0.670 18277 6797 1 8 . 1 1 145 145 ASN H H 144 8.569 8.569 8.353 0.216 18277 6798 1 8 . 1 1 146 146 PHE N N 145 121.472 121.472 122.104 -0.632 18277 6799 1 8 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.626 -0.117 18277 6800 1 8 . 1 1 146 146 PHE C C 145 173.397 173.397 173.123 0.274 18277 6801 1 8 . 1 1 146 146 PHE CA C 145 57.895 57.895 55.435 2.460 18277 6802 1 8 . 1 1 146 146 PHE CB C 145 38.987 38.987 39.414 -0.427 18277 6803 1 8 . 1 1 146 146 PHE H H 145 7.214 7.214 7.666 -0.452 18277 6804 1 8 . 1 1 147 147 VAL N N 146 128.813 128.813 125.313 3.500 18277 6805 1 8 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.385 -0.313 18277 6806 1 8 . 1 1 147 147 VAL CA C 146 58.698 58.698 58.231 0.467 18277 6807 1 8 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.622 1.847 18277 6808 1 8 . 1 1 147 147 VAL H H 146 7.666 7.666 8.204 -0.538 18277 6809 1 9 . 1 1 2 2 MET N N 1 121.461 121.461 121.242 0.219 18277 6810 1 9 . 1 1 2 2 MET HA H 1 4.581 4.581 4.502 0.079 18277 6811 1 9 . 1 1 2 2 MET C C 1 175.184 175.184 175.868 -0.684 18277 6812 1 9 . 1 1 2 2 MET CA C 1 55.447 55.447 55.339 0.108 18277 6813 1 9 . 1 1 2 2 MET CB C 1 34.107 34.107 33.608 0.499 18277 6814 1 9 . 1 1 2 2 MET H H 1 8.431 8.431 8.146 0.285 18277 6815 1 9 . 1 1 3 3 LEU N N 2 123.575 123.575 122.702 0.873 18277 6816 1 9 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.406 0.064 18277 6817 1 9 . 1 1 3 3 LEU C C 2 176.479 176.479 176.661 -0.182 18277 6818 1 9 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.070 -0.526 18277 6819 1 9 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.974 1.226 18277 6820 1 9 . 1 1 3 3 LEU H H 2 8.678 8.678 7.587 1.091 18277 6821 1 9 . 1 1 4 4 THR N N 3 119.326 119.326 116.037 3.289 18277 6822 1 9 . 1 1 4 4 THR HA H 3 4.398 4.398 4.548 -0.150 18277 6823 1 9 . 1 1 4 4 THR C C 3 173.920 173.920 175.926 -2.006 18277 6824 1 9 . 1 1 4 4 THR CA C 3 61.025 61.025 60.995 0.031 18277 6825 1 9 . 1 1 4 4 THR CB C 3 71.090 71.090 70.246 0.843 18277 6826 1 9 . 1 1 4 4 THR H H 3 8.541 8.541 8.308 0.233 18277 6827 1 9 . 1 1 5 5 LEU N N 4 122.107 122.107 120.282 1.825 18277 6828 1 9 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.117 0.171 18277 6829 1 9 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.142 0.950 18277 6830 1 9 . 1 1 5 5 LEU CB C 4 38.806 38.806 39.021 -0.215 18277 6831 1 9 . 1 1 5 5 LEU H H 4 8.777 8.777 8.646 0.131 18277 6832 1 9 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.386 -0.040 18277 6833 1 9 . 1 1 6 6 PRO C C 5 179.812 179.812 177.852 1.960 18277 6834 1 9 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.944 1.316 18277 6835 1 9 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.004 0.055 18277 6836 1 9 . 1 1 7 7 GLU N N 6 117.744 117.744 116.680 1.064 18277 6837 1 9 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.227 -0.201 18277 6838 1 9 . 1 1 7 7 GLU C C 6 178.359 178.359 177.145 1.214 18277 6839 1 9 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.438 0.665 18277 6840 1 9 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.168 0.102 18277 6841 1 9 . 1 1 7 7 GLU H H 6 7.088 7.088 7.994 -0.906 18277 6842 1 9 . 1 1 8 8 TYR N N 7 120.825 120.825 118.610 2.215 18277 6843 1 9 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.359 -0.464 18277 6844 1 9 . 1 1 8 8 TYR C C 7 176.641 176.641 177.322 -0.681 18277 6845 1 9 . 1 1 8 8 TYR CA C 7 61.519 61.519 60.003 1.516 18277 6846 1 9 . 1 1 8 8 TYR CB C 7 37.727 37.727 38.892 -1.165 18277 6847 1 9 . 1 1 8 8 TYR H H 7 8.310 8.310 7.655 0.655 18277 6848 1 9 . 1 1 9 9 ASN N N 8 118.086 118.086 118.072 0.014 18277 6849 1 9 . 1 1 9 9 ASN HA H 8 4.318 4.318 3.983 0.335 18277 6850 1 9 . 1 1 9 9 ASN C C 8 179.060 179.060 177.687 1.373 18277 6851 1 9 . 1 1 9 9 ASN CA C 8 55.774 55.774 56.256 -0.482 18277 6852 1 9 . 1 1 9 9 ASN CB C 8 38.309 38.309 38.040 0.269 18277 6853 1 9 . 1 1 9 9 ASN H H 8 8.791 8.791 8.144 0.647 18277 6854 1 9 . 1 1 10 10 GLU N N 9 120.057 120.057 119.770 0.287 18277 6855 1 9 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.125 -0.012 18277 6856 1 9 . 1 1 10 10 GLU C C 9 177.853 177.853 177.033 0.820 18277 6857 1 9 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.587 -0.081 18277 6858 1 9 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.500 0.141 18277 6859 1 9 . 1 1 10 10 GLU H H 9 8.013 8.013 8.270 -0.257 18277 6860 1 9 . 1 1 11 11 GLN N N 10 116.468 116.468 116.365 0.103 18277 6861 1 9 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.574 -0.123 18277 6862 1 9 . 1 1 11 11 GLN C C 10 177.470 177.470 175.952 1.518 18277 6863 1 9 . 1 1 11 11 GLN CA C 10 56.997 56.997 54.897 2.100 18277 6864 1 9 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.110 1.615 18277 6865 1 9 . 1 1 11 11 GLN H H 10 7.488 7.488 7.514 -0.026 18277 6866 1 9 . 1 1 12 12 ILE N N 11 124.393 124.393 122.529 1.864 18277 6867 1 9 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.796 0.032 18277 6868 1 9 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.309 -1.804 18277 6869 1 9 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.746 -1.488 18277 6870 1 9 . 1 1 12 12 ILE H H 11 7.605 7.605 7.181 0.424 18277 6871 1 9 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.501 -0.264 18277 6872 1 9 . 1 1 13 13 PRO C C 12 179.113 179.113 176.583 2.530 18277 6873 1 9 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.505 1.922 18277 6874 1 9 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.797 0.281 18277 6875 1 9 . 1 1 14 14 ASN N N 13 115.499 115.499 116.163 -0.664 18277 6876 1 9 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.697 -0.105 18277 6877 1 9 . 1 1 14 14 ASN C C 13 178.208 178.208 176.819 1.389 18277 6878 1 9 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.794 0.997 18277 6879 1 9 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.599 -0.555 18277 6880 1 9 . 1 1 14 14 ASN H H 13 7.793 7.793 7.719 0.074 18277 6881 1 9 . 1 1 15 15 VAL N N 14 121.205 121.205 120.999 0.206 18277 6882 1 9 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.857 -0.157 18277 6883 1 9 . 1 1 15 15 VAL C C 14 176.999 176.999 177.256 -0.257 18277 6884 1 9 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.143 0.401 18277 6885 1 9 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.818 -0.393 18277 6886 1 9 . 1 1 15 15 VAL H H 14 7.704 7.704 7.488 0.216 18277 6887 1 9 . 1 1 16 16 ARG N N 15 121.067 121.067 119.317 1.750 18277 6888 1 9 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.086 -0.372 18277 6889 1 9 . 1 1 16 16 ARG C C 15 178.150 178.150 178.314 -0.164 18277 6890 1 9 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.418 1.102 18277 6891 1 9 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.517 0.698 18277 6892 1 9 . 1 1 16 16 ARG H H 15 8.855 8.855 7.711 1.144 18277 6893 1 9 . 1 1 17 17 SER N N 16 112.741 112.741 114.768 -2.027 18277 6894 1 9 . 1 1 17 17 SER HA H 16 4.245 4.245 4.344 -0.099 18277 6895 1 9 . 1 1 17 17 SER C C 16 177.177 177.177 176.062 1.115 18277 6896 1 9 . 1 1 17 17 SER CA C 16 61.756 61.756 60.946 0.810 18277 6897 1 9 . 1 1 17 17 SER CB C 16 62.785 62.785 63.019 -0.234 18277 6898 1 9 . 1 1 17 17 SER H H 16 7.987 7.987 8.243 -0.256 18277 6899 1 9 . 1 1 18 18 LEU N N 17 122.703 122.703 119.661 3.042 18277 6900 1 9 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.508 -0.251 18277 6901 1 9 . 1 1 18 18 LEU C C 17 179.350 179.350 178.397 0.953 18277 6902 1 9 . 1 1 18 18 LEU CA C 17 58.484 58.484 56.901 1.583 18277 6903 1 9 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.810 0.664 18277 6904 1 9 . 1 1 18 18 LEU H H 17 7.728 7.728 7.340 0.388 18277 6905 1 9 . 1 1 19 19 LEU N N 18 116.536 116.536 120.819 -4.283 18277 6906 1 9 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.143 0.088 18277 6907 1 9 . 1 1 19 19 LEU C C 18 178.556 178.556 178.753 -0.197 18277 6908 1 9 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.968 -0.693 18277 6909 1 9 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.014 0.702 18277 6910 1 9 . 1 1 19 19 LEU H H 18 8.367 8.367 8.800 -0.433 18277 6911 1 9 . 1 1 20 20 THR N N 19 111.172 111.172 109.824 1.348 18277 6912 1 9 . 1 1 20 20 THR HA H 19 4.072 4.072 4.076 -0.004 18277 6913 1 9 . 1 1 20 20 THR C C 19 175.433 175.433 175.932 -0.499 18277 6914 1 9 . 1 1 20 20 THR CA C 19 65.421 65.421 65.157 0.264 18277 6915 1 9 . 1 1 20 20 THR CB C 19 69.541 69.541 67.931 1.610 18277 6916 1 9 . 1 1 20 20 THR H H 19 7.926 7.926 7.648 0.278 18277 6917 1 9 . 1 1 21 21 LYS N N 20 117.696 117.696 118.622 -0.926 18277 6918 1 9 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.278 0.073 18277 6919 1 9 . 1 1 21 21 LYS C C 20 176.229 176.229 177.746 -1.517 18277 6920 1 9 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.698 -0.184 18277 6921 1 9 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.216 0.133 18277 6922 1 9 . 1 1 21 21 LYS H H 20 7.350 7.350 7.726 -0.376 18277 6923 1 9 . 1 1 22 22 TRP N N 21 123.258 123.258 122.459 0.799 18277 6924 1 9 . 1 1 22 22 TRP HA H 21 4.768 4.768 4.566 0.202 18277 6925 1 9 . 1 1 22 22 TRP C C 21 177.333 177.333 176.781 0.552 18277 6926 1 9 . 1 1 22 22 TRP CA C 21 54.466 54.466 58.677 -4.211 18277 6927 1 9 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.722 0.160 18277 6928 1 9 . 1 1 22 22 TRP H H 21 7.710 7.710 8.184 -0.474 18277 6929 1 9 . 1 1 23 23 ALA N N 22 133.336 133.336 128.044 5.292 18277 6930 1 9 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.329 -0.183 18277 6931 1 9 . 1 1 23 23 ALA C C 22 177.467 177.467 177.561 -0.094 18277 6932 1 9 . 1 1 23 23 ALA CA C 22 54.855 54.855 52.590 2.265 18277 6933 1 9 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.408 -0.444 18277 6934 1 9 . 1 1 23 23 ALA H H 22 9.658 9.658 8.879 0.779 18277 6935 1 9 . 1 1 24 24 LYS N N 23 111.352 111.352 117.531 -6.179 18277 6936 1 9 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.046 -0.046 18277 6937 1 9 . 1 1 24 24 LYS C C 23 175.467 175.467 175.906 -0.439 18277 6938 1 9 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.933 -1.411 18277 6939 1 9 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.310 0.995 18277 6940 1 9 . 1 1 24 24 LYS H H 23 5.756 5.756 7.964 -2.208 18277 6941 1 9 . 1 1 25 25 VAL N N 24 119.937 119.937 118.399 1.538 18277 6942 1 9 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.627 -0.249 18277 6943 1 9 . 1 1 25 25 VAL C C 24 175.634 175.634 175.879 -0.245 18277 6944 1 9 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.878 0.585 18277 6945 1 9 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.107 0.914 18277 6946 1 9 . 1 1 25 25 VAL H H 24 7.179 7.179 7.368 -0.189 18277 6947 1 9 . 1 1 26 26 GLU N N 25 127.218 127.218 126.567 0.651 18277 6948 1 9 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.388 0.020 18277 6949 1 9 . 1 1 26 26 GLU C C 25 176.448 176.448 176.336 0.112 18277 6950 1 9 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.844 0.132 18277 6951 1 9 . 1 1 26 26 GLU CB C 25 31.406 31.406 30.879 0.527 18277 6952 1 9 . 1 1 26 26 GLU H H 25 9.017 9.017 8.685 0.332 18277 6953 1 9 . 1 1 27 27 ARG N N 26 117.397 117.397 120.305 -2.908 18277 6954 1 9 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.525 0.002 18277 6955 1 9 . 1 1 27 27 ARG C C 26 173.508 173.508 174.181 -0.673 18277 6956 1 9 . 1 1 27 27 ARG CA C 26 56.216 56.216 55.070 1.146 18277 6957 1 9 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.089 1.874 18277 6958 1 9 . 1 1 27 27 ARG H H 26 7.521 7.521 7.449 0.072 18277 6959 1 9 . 1 1 28 28 ILE N N 27 123.297 123.297 125.940 -2.643 18277 6960 1 9 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.331 0.350 18277 6961 1 9 . 1 1 28 28 ILE C C 27 173.872 173.872 174.709 -0.837 18277 6962 1 9 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.549 0.541 18277 6963 1 9 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.213 2.472 18277 6964 1 9 . 1 1 28 28 ILE H H 27 8.662 8.662 8.604 0.058 18277 6965 1 9 . 1 1 29 29 GLN N N 28 125.810 125.810 127.261 -1.451 18277 6966 1 9 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.658 0.094 18277 6967 1 9 . 1 1 29 29 GLN C C 28 174.329 174.329 173.996 0.333 18277 6968 1 9 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.249 -0.180 18277 6969 1 9 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.323 -0.381 18277 6970 1 9 . 1 1 29 29 GLN H H 28 9.282 9.282 8.584 0.698 18277 6971 1 9 . 1 1 30 30 ASP N N 29 125.001 125.001 122.789 2.212 18277 6972 1 9 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.804 0.082 18277 6973 1 9 . 1 1 30 30 ASP C C 29 175.522 175.522 174.875 0.647 18277 6974 1 9 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.663 2.793 18277 6975 1 9 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.270 -1.947 18277 6976 1 9 . 1 1 30 30 ASP H H 29 8.666 8.666 8.438 0.228 18277 6977 1 9 . 1 1 31 31 VAL N N 30 116.978 116.978 114.932 2.046 18277 6978 1 9 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.564 0.080 18277 6979 1 9 . 1 1 31 31 VAL C C 30 175.448 175.448 174.566 0.882 18277 6980 1 9 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.146 0.032 18277 6981 1 9 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.655 0.469 18277 6982 1 9 . 1 1 31 31 VAL H H 30 7.784 7.784 8.130 -0.346 18277 6983 1 9 . 1 1 32 32 GLN N N 31 121.763 121.763 123.750 -1.987 18277 6984 1 9 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.125 -0.092 18277 6985 1 9 . 1 1 32 32 GLN C C 31 176.620 176.620 175.195 1.425 18277 6986 1 9 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.747 0.436 18277 6987 1 9 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.024 0.018 18277 6988 1 9 . 1 1 32 32 GLN H H 31 8.515 8.515 8.700 -0.185 18277 6989 1 9 . 1 1 33 33 ASP N N 32 121.199 121.199 119.431 1.768 18277 6990 1 9 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.512 0.463 18277 6991 1 9 . 1 1 33 33 ASP C C 32 176.998 176.998 174.829 2.169 18277 6992 1 9 . 1 1 33 33 ASP CA C 32 55.528 55.528 54.590 0.938 18277 6993 1 9 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.526 1.133 18277 6994 1 9 . 1 1 33 33 ASP H H 32 9.134 9.134 8.437 0.697 18277 6995 1 9 . 1 1 34 34 GLY N N 33 106.691 106.691 102.570 4.121 18277 6996 1 9 . 1 1 34 34 GLY C C 33 171.453 171.453 171.932 -0.479 18277 6997 1 9 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.871 1.494 18277 6998 1 9 . 1 1 34 34 GLY H H 33 8.104 8.104 7.960 0.144 18277 6999 1 9 . 1 1 35 35 LEU N N 34 119.801 119.801 119.687 0.114 18277 7000 1 9 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.739 0.544 18277 7001 1 9 . 1 1 35 35 LEU C C 34 174.568 174.568 174.075 0.493 18277 7002 1 9 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.301 -1.733 18277 7003 1 9 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.317 1.955 18277 7004 1 9 . 1 1 35 35 LEU H H 34 8.491 8.491 8.119 0.372 18277 7005 1 9 . 1 1 36 36 GLN N N 35 121.349 121.349 123.434 -2.085 18277 7006 1 9 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.617 -0.400 18277 7007 1 9 . 1 1 36 36 GLN C C 35 174.530 174.530 174.170 0.360 18277 7008 1 9 . 1 1 36 36 GLN CA C 35 54.764 54.764 53.852 0.912 18277 7009 1 9 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.256 0.224 18277 7010 1 9 . 1 1 36 36 GLN H H 35 8.992 8.992 9.012 -0.020 18277 7011 1 9 . 1 1 37 37 LEU N N 36 126.882 126.882 127.904 -1.022 18277 7012 1 9 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.233 0.125 18277 7013 1 9 . 1 1 37 37 LEU C C 36 174.519 174.519 175.820 -1.301 18277 7014 1 9 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.492 1.439 18277 7015 1 9 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.735 0.516 18277 7016 1 9 . 1 1 37 37 LEU H H 36 9.826 9.826 8.618 1.208 18277 7017 1 9 . 1 1 38 38 ASP N N 37 122.748 122.748 123.198 -0.450 18277 7018 1 9 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.930 0.519 18277 7019 1 9 . 1 1 38 38 ASP C C 37 175.197 175.197 175.237 -0.040 18277 7020 1 9 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.068 0.311 18277 7021 1 9 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.113 0.949 18277 7022 1 9 . 1 1 38 38 ASP H H 37 8.556 8.556 8.323 0.233 18277 7023 1 9 . 1 1 39 39 VAL N N 38 124.835 124.835 124.906 -0.071 18277 7024 1 9 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.949 0.192 18277 7025 1 9 . 1 1 39 39 VAL C C 38 174.081 174.081 175.681 -1.600 18277 7026 1 9 . 1 1 39 39 VAL CA C 38 60.442 60.442 60.731 -0.289 18277 7027 1 9 . 1 1 39 39 VAL CB C 38 34.594 34.594 31.437 3.157 18277 7028 1 9 . 1 1 39 39 VAL H H 38 9.495 9.495 8.365 1.130 18277 7029 1 9 . 1 1 40 40 ARG N N 39 131.221 131.221 128.296 2.925 18277 7030 1 9 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.602 -0.086 18277 7031 1 9 . 1 1 40 40 ARG C C 39 174.144 174.144 176.121 -1.977 18277 7032 1 9 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.684 -0.180 18277 7033 1 9 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.004 0.115 18277 7034 1 9 . 1 1 40 40 ARG H H 39 9.046 9.046 8.490 0.556 18277 7035 1 9 . 1 1 41 41 LEU N N 40 129.501 129.501 122.598 6.903 18277 7036 1 9 . 1 1 41 41 LEU HA H 40 4.026 4.026 3.962 0.064 18277 7037 1 9 . 1 1 41 41 LEU C C 40 176.934 176.934 176.854 0.080 18277 7038 1 9 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.413 0.450 18277 7039 1 9 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.376 1.372 18277 7040 1 9 . 1 1 41 41 LEU H H 40 7.786 7.786 8.031 -0.245 18277 7041 1 9 . 1 1 42 42 LYS N N 41 112.553 112.553 114.761 -2.208 18277 7042 1 9 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.456 0.238 18277 7043 1 9 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.578 -1.399 18277 7044 1 9 . 1 1 42 42 LYS CB C 41 36.003 36.003 34.856 1.147 18277 7045 1 9 . 1 1 42 42 LYS H H 41 8.313 8.313 7.622 0.691 18277 7046 1 9 . 1 1 43 43 THR HA H 42 3.860 3.860 4.190 -0.330 18277 7047 1 9 . 1 1 43 43 THR C C 42 174.883 174.883 174.223 0.660 18277 7048 1 9 . 1 1 43 43 THR CA C 42 66.494 66.494 64.814 1.680 18277 7049 1 9 . 1 1 43 43 THR CB C 42 68.508 68.508 68.850 -0.342 18277 7050 1 9 . 1 1 44 44 ASP N N 43 114.795 114.795 117.834 -3.039 18277 7051 1 9 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.963 -0.134 18277 7052 1 9 . 1 1 44 44 ASP C C 43 176.791 176.791 174.918 1.873 18277 7053 1 9 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.756 -0.835 18277 7054 1 9 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.835 0.235 18277 7055 1 9 . 1 1 44 44 ASP H H 43 7.759 7.759 8.043 -0.284 18277 7056 1 9 . 1 1 45 45 THR N N 44 115.323 115.323 117.215 -1.892 18277 7057 1 9 . 1 1 45 45 THR HA H 44 5.303 5.303 4.944 0.359 18277 7058 1 9 . 1 1 45 45 THR C C 44 171.480 171.480 172.922 -1.442 18277 7059 1 9 . 1 1 45 45 THR CA C 44 62.732 62.732 61.981 0.751 18277 7060 1 9 . 1 1 45 45 THR CB C 44 72.378 72.378 71.993 0.385 18277 7061 1 9 . 1 1 45 45 THR H H 44 7.551 7.551 8.117 -0.566 18277 7062 1 9 . 1 1 46 46 LEU N N 45 130.323 130.323 127.697 2.626 18277 7063 1 9 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.203 -0.249 18277 7064 1 9 . 1 1 46 46 LEU C C 45 174.048 174.048 174.232 -0.184 18277 7065 1 9 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.550 -0.193 18277 7066 1 9 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.341 -0.606 18277 7067 1 9 . 1 1 46 46 LEU H H 45 9.590 9.590 8.577 1.013 18277 7068 1 9 . 1 1 47 47 LEU N N 46 127.468 127.468 127.684 -0.216 18277 7069 1 9 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.255 -0.105 18277 7070 1 9 . 1 1 47 47 LEU C C 46 173.309 173.309 175.141 -1.832 18277 7071 1 9 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.508 0.080 18277 7072 1 9 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.520 1.602 18277 7073 1 9 . 1 1 47 47 LEU H H 46 9.673 9.673 9.251 0.422 18277 7074 1 9 . 1 1 48 48 GLU N N 47 131.371 131.371 128.574 2.797 18277 7075 1 9 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.808 0.414 18277 7076 1 9 . 1 1 48 48 GLU C C 47 173.970 173.970 175.035 -1.065 18277 7077 1 9 . 1 1 48 48 GLU CA C 47 54.673 54.673 55.535 -0.862 18277 7078 1 9 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.720 1.190 18277 7079 1 9 . 1 1 48 48 GLU H H 47 9.400 9.400 8.623 0.777 18277 7080 1 9 . 1 1 49 49 LEU N N 48 129.742 129.742 128.390 1.352 18277 7081 1 9 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.446 0.541 18277 7082 1 9 . 1 1 49 49 LEU C C 48 174.115 174.115 174.861 -0.746 18277 7083 1 9 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.199 0.474 18277 7084 1 9 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.180 1.458 18277 7085 1 9 . 1 1 49 49 LEU H H 48 9.433 9.433 8.001 1.432 18277 7086 1 9 . 1 1 50 50 HIS N N 49 126.356 126.356 124.309 2.047 18277 7087 1 9 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.619 -0.199 18277 7088 1 9 . 1 1 50 50 HIS C C 49 174.293 174.293 174.808 -0.515 18277 7089 1 9 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.397 2.229 18277 7090 1 9 . 1 1 50 50 HIS CB C 49 33.850 33.850 31.680 2.171 18277 7091 1 9 . 1 1 50 50 HIS H H 49 9.575 9.575 8.749 0.826 18277 7092 1 9 . 1 1 51 51 ILE N N 50 123.679 123.679 126.538 -2.859 18277 7093 1 9 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.460 0.786 18277 7094 1 9 . 1 1 51 51 ILE C C 50 175.021 175.021 173.734 1.287 18277 7095 1 9 . 1 1 51 51 ILE CA C 50 60.592 60.592 60.143 0.449 18277 7096 1 9 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.638 1.133 18277 7097 1 9 . 1 1 51 51 ILE H H 50 8.991 8.991 8.496 0.495 18277 7098 1 9 . 1 1 52 52 TYR N N 51 126.281 126.281 125.446 0.835 18277 7099 1 9 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.268 0.203 18277 7100 1 9 . 1 1 52 52 TYR C C 51 171.145 171.145 173.589 -2.444 18277 7101 1 9 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.093 0.519 18277 7102 1 9 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.549 0.572 18277 7103 1 9 . 1 1 52 52 TYR H H 51 9.189 9.189 7.695 1.494 18277 7104 1 9 . 1 1 53 53 TYR N N 52 120.025 120.025 126.000 -5.975 18277 7105 1 9 . 1 1 53 53 TYR HA H 52 3.807 3.807 3.947 -0.140 18277 7106 1 9 . 1 1 53 53 TYR C C 52 173.874 173.874 174.345 -0.471 18277 7107 1 9 . 1 1 53 53 TYR CA C 52 56.962 56.962 59.196 -2.234 18277 7108 1 9 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.117 0.427 18277 7109 1 9 . 1 1 53 53 TYR H H 52 7.985 7.985 8.697 -0.712 18277 7110 1 9 . 1 1 54 54 ASP N N 53 127.411 127.411 123.819 3.592 18277 7111 1 9 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.753 -0.060 18277 7112 1 9 . 1 1 54 54 ASP C C 53 175.962 175.962 175.363 0.599 18277 7113 1 9 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.823 1.154 18277 7114 1 9 . 1 1 54 54 ASP CB C 53 43.028 43.028 43.236 -0.208 18277 7115 1 9 . 1 1 54 54 ASP H H 53 7.449 7.449 7.756 -0.307 18277 7116 1 9 . 1 1 55 55 HIS N N 54 124.486 124.486 123.689 0.797 18277 7117 1 9 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.202 -0.223 18277 7118 1 9 . 1 1 55 55 HIS C C 54 175.406 175.406 175.093 0.313 18277 7119 1 9 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.741 1.876 18277 7120 1 9 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.078 2.339 18277 7121 1 9 . 1 1 55 55 HIS H H 54 8.512 8.512 8.622 -0.110 18277 7122 1 9 . 1 1 56 56 VAL N N 55 120.625 120.625 118.834 1.791 18277 7123 1 9 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.655 -0.119 18277 7124 1 9 . 1 1 56 56 VAL C C 55 177.379 177.379 176.115 1.264 18277 7125 1 9 . 1 1 56 56 VAL CA C 55 65.174 65.174 65.941 -0.766 18277 7126 1 9 . 1 1 56 56 VAL CB C 55 31.274 31.274 32.030 -0.756 18277 7127 1 9 . 1 1 56 56 VAL H H 55 8.397 8.397 7.557 0.840 18277 7128 1 9 . 1 1 57 57 TYR N N 56 115.771 115.771 114.534 1.237 18277 7129 1 9 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.608 -0.342 18277 7130 1 9 . 1 1 57 57 TYR C C 56 174.645 174.645 174.775 -0.130 18277 7131 1 9 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.465 1.261 18277 7132 1 9 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.985 -0.419 18277 7133 1 9 . 1 1 57 57 TYR H H 56 7.641 7.641 7.452 0.189 18277 7134 1 9 . 1 1 58 58 HIS N N 57 116.177 116.177 116.131 0.046 18277 7135 1 9 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.187 -0.440 18277 7136 1 9 . 1 1 58 58 HIS C C 57 172.860 172.860 173.900 -1.040 18277 7137 1 9 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.437 -0.789 18277 7138 1 9 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.120 -1.818 18277 7139 1 9 . 1 1 58 58 HIS H H 57 7.764 7.764 7.393 0.371 18277 7140 1 9 . 1 1 59 59 VAL N N 58 104.729 104.729 112.139 -7.410 18277 7141 1 9 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.692 0.008 18277 7142 1 9 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.656 -2.324 18277 7143 1 9 . 1 1 59 59 VAL CB C 58 34.213 34.213 34.105 0.108 18277 7144 1 9 . 1 1 59 59 VAL H H 58 6.310 6.310 7.405 -1.095 18277 7145 1 9 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.279 0.066 18277 7146 1 9 . 1 1 60 60 PRO C C 59 174.254 174.254 175.428 -1.174 18277 7147 1 9 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.912 -0.322 18277 7148 1 9 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.128 -1.351 18277 7149 1 9 . 1 1 61 61 SER N N 60 116.530 116.530 115.135 1.395 18277 7150 1 9 . 1 1 61 61 SER HA H 60 4.899 4.899 4.782 0.117 18277 7151 1 9 . 1 1 61 61 SER CA C 60 57.691 57.691 56.510 1.181 18277 7152 1 9 . 1 1 61 61 SER CB C 60 66.483 66.483 65.938 0.545 18277 7153 1 9 . 1 1 61 61 SER H H 60 8.854 8.854 7.875 0.979 18277 7154 1 9 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.218 1.486 18277 7155 1 9 . 1 1 62 62 ILE C C 61 176.160 176.160 173.929 2.231 18277 7156 1 9 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.112 -1.194 18277 7157 1 9 . 1 1 62 62 ILE CB C 61 42.789 42.789 41.653 1.136 18277 7158 1 9 . 1 1 63 63 LYS N N 62 123.794 123.794 128.609 -4.815 18277 7159 1 9 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.716 0.978 18277 7160 1 9 . 1 1 63 63 LYS C C 62 174.598 174.598 174.311 0.287 18277 7161 1 9 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.078 -0.570 18277 7162 1 9 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.403 0.300 18277 7163 1 9 . 1 1 63 63 LYS H H 62 9.011 9.011 8.196 0.815 18277 7164 1 9 . 1 1 64 64 PHE N N 63 116.267 116.267 122.327 -6.060 18277 7165 1 9 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.613 0.700 18277 7166 1 9 . 1 1 64 64 PHE C C 63 173.139 173.139 173.742 -0.603 18277 7167 1 9 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.085 1.508 18277 7168 1 9 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.844 0.097 18277 7169 1 9 . 1 1 64 64 PHE H H 63 9.776 9.776 7.655 2.121 18277 7170 1 9 . 1 1 65 65 ARG N N 64 116.428 116.428 119.744 -3.316 18277 7171 1 9 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.780 0.001 18277 7172 1 9 . 1 1 65 65 ARG C C 64 173.867 173.867 174.831 -0.964 18277 7173 1 9 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.815 0.942 18277 7174 1 9 . 1 1 65 65 ARG CB C 64 35.068 35.068 33.620 1.448 18277 7175 1 9 . 1 1 65 65 ARG H H 64 9.257 9.257 8.272 0.985 18277 7176 1 9 . 1 1 66 66 LEU N N 65 121.826 121.826 124.810 -2.984 18277 7177 1 9 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.461 0.988 18277 7178 1 9 . 1 1 66 66 LEU C C 65 174.002 174.002 176.592 -2.590 18277 7179 1 9 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.709 -1.883 18277 7180 1 9 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.775 3.897 18277 7181 1 9 . 1 1 66 66 LEU H H 65 9.041 9.041 8.850 0.191 18277 7182 1 9 . 1 1 67 67 TRP N N 66 120.671 120.671 123.154 -2.483 18277 7183 1 9 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.172 0.151 18277 7184 1 9 . 1 1 67 67 TRP C C 66 175.763 175.763 175.708 0.055 18277 7185 1 9 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.408 -1.326 18277 7186 1 9 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.578 -0.407 18277 7187 1 9 . 1 1 67 67 TRP H H 66 9.366 9.366 8.920 0.446 18277 7188 1 9 . 1 1 68 68 SER N N 67 117.273 117.273 117.579 -0.306 18277 7189 1 9 . 1 1 68 68 SER HA H 67 5.297 5.297 5.143 0.154 18277 7190 1 9 . 1 1 68 68 SER C C 67 174.327 174.327 174.108 0.219 18277 7191 1 9 . 1 1 68 68 SER CA C 67 56.883 56.883 56.677 0.206 18277 7192 1 9 . 1 1 68 68 SER CB C 67 65.230 65.230 63.883 1.347 18277 7193 1 9 . 1 1 68 68 SER H H 67 9.750 9.750 9.381 0.369 18277 7194 1 9 . 1 1 69 69 LEU N N 68 126.002 126.002 130.039 -4.037 18277 7195 1 9 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.463 0.295 18277 7196 1 9 . 1 1 69 69 LEU C C 68 176.022 176.022 176.286 -0.264 18277 7197 1 9 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.884 -1.505 18277 7198 1 9 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.408 0.963 18277 7199 1 9 . 1 1 69 69 LEU H H 68 8.119 8.119 7.903 0.216 18277 7200 1 9 . 1 1 70 70 ASP N N 69 124.828 124.828 125.260 -0.432 18277 7201 1 9 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.957 -0.176 18277 7202 1 9 . 1 1 70 70 ASP C C 69 176.396 176.396 175.824 0.572 18277 7203 1 9 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.561 0.822 18277 7204 1 9 . 1 1 70 70 ASP CB C 69 41.992 41.992 43.354 -1.362 18277 7205 1 9 . 1 1 70 70 ASP H H 69 8.572 8.572 8.170 0.402 18277 7206 1 9 . 1 1 71 71 THR N N 70 114.913 114.913 114.731 0.182 18277 7207 1 9 . 1 1 71 71 THR HA H 70 4.531 4.531 4.450 0.081 18277 7208 1 9 . 1 1 71 71 THR C C 70 174.451 174.451 175.287 -0.836 18277 7209 1 9 . 1 1 71 71 THR CA C 70 61.742 61.742 60.910 0.832 18277 7210 1 9 . 1 1 71 71 THR CB C 70 69.950 69.950 68.716 1.234 18277 7211 1 9 . 1 1 71 71 THR H H 70 8.403 8.403 8.528 -0.125 18277 7212 1 9 . 1 1 72 72 GLU N N 71 123.605 123.605 121.099 2.506 18277 7213 1 9 . 1 1 72 72 GLU HA H 71 4.241 4.241 3.989 0.252 18277 7214 1 9 . 1 1 72 72 GLU C C 71 176.451 176.451 177.631 -1.180 18277 7215 1 9 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.875 -1.668 18277 7216 1 9 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.532 0.878 18277 7217 1 9 . 1 1 72 72 GLU H H 71 8.542 8.542 8.654 -0.112 18277 7218 1 9 . 1 1 73 73 GLU N N 72 119.641 119.641 116.722 2.919 18277 7219 1 9 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.418 -0.307 18277 7220 1 9 . 1 1 73 73 GLU C C 72 175.577 175.577 175.800 -0.223 18277 7221 1 9 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.140 0.957 18277 7222 1 9 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.513 -1.170 18277 7223 1 9 . 1 1 73 73 GLU H H 72 8.503 8.503 8.061 0.442 18277 7224 1 9 . 1 1 74 74 ASP N N 73 117.882 117.882 118.545 -0.663 18277 7225 1 9 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.452 0.119 18277 7226 1 9 . 1 1 74 74 ASP C C 73 176.077 176.077 175.219 0.858 18277 7227 1 9 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.067 -0.573 18277 7228 1 9 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.520 1.417 18277 7229 1 9 . 1 1 74 74 ASP H H 73 8.228 8.228 8.208 0.020 18277 7230 1 9 . 1 1 75 75 ILE N N 74 120.809 120.809 115.205 5.604 18277 7231 1 9 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.353 -0.144 18277 7232 1 9 . 1 1 75 75 ILE C C 74 175.939 175.939 175.839 0.100 18277 7233 1 9 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.802 0.524 18277 7234 1 9 . 1 1 75 75 ILE CB C 74 38.669 38.669 37.634 1.035 18277 7235 1 9 . 1 1 75 75 ILE H H 74 8.089 8.089 7.965 0.124 18277 7236 1 9 . 1 1 76 76 SER N N 75 119.402 119.402 116.181 3.221 18277 7237 1 9 . 1 1 76 76 SER HA H 75 4.652 4.652 4.222 0.430 18277 7238 1 9 . 1 1 76 76 SER C C 75 174.313 174.313 174.196 0.117 18277 7239 1 9 . 1 1 76 76 SER CA C 75 58.778 58.778 58.343 0.435 18277 7240 1 9 . 1 1 76 76 SER CB C 75 63.860 63.860 62.596 1.264 18277 7241 1 9 . 1 1 76 76 SER H H 75 8.449 8.449 8.134 0.315 18277 7242 1 9 . 1 1 77 77 SER N N 76 118.644 118.644 115.367 3.277 18277 7243 1 9 . 1 1 77 77 SER HA H 76 4.588 4.588 4.499 0.089 18277 7244 1 9 . 1 1 77 77 SER C C 76 173.094 173.094 173.442 -0.348 18277 7245 1 9 . 1 1 77 77 SER CA C 76 57.772 57.772 58.403 -0.631 18277 7246 1 9 . 1 1 77 77 SER CB C 76 64.461 64.461 64.353 0.108 18277 7247 1 9 . 1 1 77 77 SER H H 76 8.280 8.280 7.724 0.556 18277 7248 1 9 . 1 1 78 78 LEU N N 77 123.896 123.896 114.821 9.075 18277 7249 1 9 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.183 -0.185 18277 7250 1 9 . 1 1 78 78 LEU C C 77 177.081 177.081 175.406 1.675 18277 7251 1 9 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.365 0.643 18277 7252 1 9 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.577 -1.556 18277 7253 1 9 . 1 1 78 78 LEU H H 77 7.981 7.981 8.189 -0.208 18277 7254 1 9 . 1 1 79 79 ARG N N 78 123.195 123.195 120.248 2.947 18277 7255 1 9 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.778 0.181 18277 7256 1 9 . 1 1 79 79 ARG C C 78 174.994 174.994 174.411 0.583 18277 7257 1 9 . 1 1 79 79 ARG CA C 78 54.664 54.664 54.924 -0.260 18277 7258 1 9 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.451 -0.171 18277 7259 1 9 . 1 1 79 79 ARG H H 78 9.013 9.013 8.471 0.542 18277 7260 1 9 . 1 1 80 80 LEU N N 79 128.388 128.388 125.405 2.983 18277 7261 1 9 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.922 -0.144 18277 7262 1 9 . 1 1 80 80 LEU C C 79 177.216 177.216 175.830 1.386 18277 7263 1 9 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.701 0.348 18277 7264 1 9 . 1 1 80 80 LEU CB C 79 42.285 42.285 42.131 0.154 18277 7265 1 9 . 1 1 80 80 LEU H H 79 8.807 8.807 8.556 0.251 18277 7266 1 9 . 1 1 81 81 LEU N N 80 127.521 127.521 126.088 1.433 18277 7267 1 9 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.700 -0.137 18277 7268 1 9 . 1 1 81 81 LEU C C 80 176.354 176.354 176.338 0.016 18277 7269 1 9 . 1 1 81 81 LEU CA C 80 54.161 54.161 53.841 0.320 18277 7270 1 9 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.859 -0.449 18277 7271 1 9 . 1 1 81 81 LEU H H 80 8.478 8.478 8.521 -0.043 18277 7272 1 9 . 1 1 82 82 THR N N 81 121.108 121.108 115.568 5.540 18277 7273 1 9 . 1 1 82 82 THR HA H 81 4.391 4.391 4.961 -0.570 18277 7274 1 9 . 1 1 82 82 THR C C 81 173.678 173.678 173.730 -0.052 18277 7275 1 9 . 1 1 82 82 THR CA C 81 61.112 61.112 61.552 -0.440 18277 7276 1 9 . 1 1 82 82 THR CB C 81 68.941 68.941 69.535 -0.594 18277 7277 1 9 . 1 1 82 82 THR H H 81 8.735 8.735 8.160 0.575 18277 7278 1 9 . 1 1 83 83 LEU N N 82 125.276 125.276 123.645 1.631 18277 7279 1 9 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.909 -0.138 18277 7280 1 9 . 1 1 83 83 LEU C C 82 177.192 177.192 175.506 1.686 18277 7281 1 9 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.664 -0.250 18277 7282 1 9 . 1 1 83 83 LEU CB C 82 44.525 44.525 44.194 0.332 18277 7283 1 9 . 1 1 83 83 LEU H H 82 7.985 7.985 8.146 -0.161 18277 7284 1 9 . 1 1 84 84 SER N N 83 118.590 118.590 115.465 3.125 18277 7285 1 9 . 1 1 84 84 SER HA H 83 4.591 4.591 4.391 0.200 18277 7286 1 9 . 1 1 84 84 SER C C 83 174.317 174.317 175.419 -1.102 18277 7287 1 9 . 1 1 84 84 SER CA C 83 57.202 57.202 58.658 -1.456 18277 7288 1 9 . 1 1 84 84 SER CB C 83 65.345 65.345 63.578 1.767 18277 7289 1 9 . 1 1 84 84 SER H H 83 9.214 9.214 8.505 0.709 18277 7290 1 9 . 1 1 85 85 ASP N N 84 121.149 121.149 119.918 1.231 18277 7291 1 9 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.474 -0.131 18277 7292 1 9 . 1 1 85 85 ASP C C 84 178.027 178.027 178.484 -0.457 18277 7293 1 9 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.378 1.413 18277 7294 1 9 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.364 1.622 18277 7295 1 9 . 1 1 85 85 ASP H H 84 9.014 9.014 8.744 0.270 18277 7296 1 9 . 1 1 86 86 SER N N 85 111.874 111.874 114.428 -2.554 18277 7297 1 9 . 1 1 86 86 SER HA H 85 4.110 4.110 4.235 -0.125 18277 7298 1 9 . 1 1 86 86 SER C C 85 177.696 177.696 176.467 1.229 18277 7299 1 9 . 1 1 86 86 SER CA C 85 61.560 61.560 60.798 0.762 18277 7300 1 9 . 1 1 86 86 SER CB C 85 62.355 62.355 62.735 -0.380 18277 7301 1 9 . 1 1 86 86 SER H H 85 8.467 8.467 8.244 0.223 18277 7302 1 9 . 1 1 87 87 GLU N N 86 122.948 122.948 119.865 3.083 18277 7303 1 9 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.130 -0.052 18277 7304 1 9 . 1 1 87 87 GLU C C 86 180.335 180.335 177.597 2.738 18277 7305 1 9 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.672 0.364 18277 7306 1 9 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.395 1.424 18277 7307 1 9 . 1 1 87 87 GLU H H 86 7.660 7.660 8.599 -0.939 18277 7308 1 9 . 1 1 88 88 LEU N N 87 122.341 122.341 121.108 1.233 18277 7309 1 9 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.107 -0.225 18277 7310 1 9 . 1 1 88 88 LEU C C 87 178.818 178.818 178.475 0.343 18277 7311 1 9 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.697 0.377 18277 7312 1 9 . 1 1 88 88 LEU CB C 87 42.371 42.371 42.171 0.200 18277 7313 1 9 . 1 1 88 88 LEU H H 87 8.878 8.878 7.620 1.258 18277 7314 1 9 . 1 1 89 89 ARG N N 88 115.874 115.874 119.146 -3.272 18277 7315 1 9 . 1 1 89 89 ARG HA H 88 4.126 4.126 3.834 0.292 18277 7316 1 9 . 1 1 89 89 ARG C C 88 176.552 176.552 177.957 -1.405 18277 7317 1 9 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.532 0.188 18277 7318 1 9 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.157 0.628 18277 7319 1 9 . 1 1 89 89 ARG H H 88 7.956 7.956 8.527 -0.571 18277 7320 1 9 . 1 1 90 90 SER N N 89 112.295 112.295 113.366 -1.071 18277 7321 1 9 . 1 1 90 90 SER HA H 89 4.565 4.565 4.256 0.309 18277 7322 1 9 . 1 1 90 90 SER C C 89 174.817 174.817 175.794 -0.977 18277 7323 1 9 . 1 1 90 90 SER CA C 89 60.043 60.043 60.913 -0.870 18277 7324 1 9 . 1 1 90 90 SER CB C 89 63.858 63.858 63.114 0.744 18277 7325 1 9 . 1 1 90 90 SER H H 89 7.481 7.481 7.530 -0.049 18277 7326 1 9 . 1 1 91 91 ILE N N 90 116.577 116.577 113.130 3.447 18277 7327 1 9 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.285 0.153 18277 7328 1 9 . 1 1 91 91 ILE C C 90 174.636 174.636 175.504 -0.868 18277 7329 1 9 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.413 0.849 18277 7330 1 9 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.494 2.115 18277 7331 1 9 . 1 1 91 91 ILE H H 90 7.372 7.372 7.813 -0.441 18277 7332 1 9 . 1 1 92 92 LEU N N 91 119.723 119.723 119.020 0.703 18277 7333 1 9 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.197 0.444 18277 7334 1 9 . 1 1 92 92 LEU C C 91 175.178 175.178 176.419 -1.241 18277 7335 1 9 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.581 -1.768 18277 7336 1 9 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.625 1.048 18277 7337 1 9 . 1 1 92 92 LEU H H 91 7.900 7.900 7.318 0.582 18277 7338 1 9 . 1 1 93 93 ASN N N 92 119.687 119.687 118.124 1.563 18277 7339 1 9 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.896 0.087 18277 7340 1 9 . 1 1 93 93 ASN C C 92 174.978 174.978 174.347 0.631 18277 7341 1 9 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.407 -1.036 18277 7342 1 9 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.459 -1.728 18277 7343 1 9 . 1 1 93 93 ASN H H 92 8.916 8.916 8.504 0.412 18277 7344 1 9 . 1 1 94 94 LEU N N 93 121.052 121.052 124.200 -3.148 18277 7345 1 9 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.500 -0.554 18277 7346 1 9 . 1 1 94 94 LEU C C 93 177.367 177.367 178.622 -1.255 18277 7347 1 9 . 1 1 94 94 LEU CA C 93 57.051 57.051 57.035 0.016 18277 7348 1 9 . 1 1 94 94 LEU CB C 93 42.772 42.772 41.639 1.133 18277 7349 1 9 . 1 1 94 94 LEU H H 93 8.172 8.172 8.664 -0.492 18277 7350 1 9 . 1 1 95 95 GLY N N 94 105.340 105.340 107.303 -1.963 18277 7351 1 9 . 1 1 95 95 GLY C C 94 176.133 176.133 175.787 0.346 18277 7352 1 9 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.250 0.099 18277 7353 1 9 . 1 1 95 95 GLY H H 94 8.281 8.281 8.433 -0.152 18277 7354 1 9 . 1 1 96 96 THR N N 95 117.040 117.040 117.550 -0.510 18277 7355 1 9 . 1 1 96 96 THR HA H 95 4.242 4.242 4.497 -0.255 18277 7356 1 9 . 1 1 96 96 THR C C 95 175.349 175.349 175.002 0.347 18277 7357 1 9 . 1 1 96 96 THR CA C 95 61.859 61.859 61.505 0.354 18277 7358 1 9 . 1 1 96 96 THR CB C 95 68.399 68.399 70.009 -1.610 18277 7359 1 9 . 1 1 96 96 THR H H 95 8.419 8.419 8.249 0.170 18277 7360 1 9 . 1 1 97 97 PHE N N 96 122.590 122.590 120.433 2.157 18277 7361 1 9 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.438 0.284 18277 7362 1 9 . 1 1 97 97 PHE C C 96 174.704 174.704 175.476 -0.772 18277 7363 1 9 . 1 1 97 97 PHE CA C 96 58.599 58.599 58.908 -0.309 18277 7364 1 9 . 1 1 97 97 PHE CB C 96 39.149 39.149 40.067 -0.918 18277 7365 1 9 . 1 1 97 97 PHE H H 96 8.517 8.517 8.239 0.278 18277 7366 1 9 . 1 1 98 98 SER N N 97 114.201 114.201 112.914 1.287 18277 7367 1 9 . 1 1 98 98 SER HA H 97 4.859 4.859 4.918 -0.059 18277 7368 1 9 . 1 1 98 98 SER C C 97 173.002 173.002 172.520 0.482 18277 7369 1 9 . 1 1 98 98 SER CA C 97 57.346 57.346 57.513 -0.167 18277 7370 1 9 . 1 1 98 98 SER CB C 97 65.739 65.739 66.734 -0.995 18277 7371 1 9 . 1 1 98 98 SER H H 97 9.129 9.129 8.592 0.537 18277 7372 1 9 . 1 1 99 99 VAL N N 98 120.191 120.191 118.833 1.358 18277 7373 1 9 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.522 0.997 18277 7374 1 9 . 1 1 99 99 VAL C C 98 175.574 175.574 174.406 1.168 18277 7375 1 9 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.993 -1.603 18277 7376 1 9 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.583 -0.157 18277 7377 1 9 . 1 1 99 99 VAL H H 98 8.655 8.655 8.452 0.203 18277 7378 1 9 . 1 1 100 100 THR N N 99 120.623 120.623 120.061 0.562 18277 7379 1 9 . 1 1 100 100 THR HA H 99 4.729 4.729 4.699 0.030 18277 7380 1 9 . 1 1 100 100 THR C C 99 172.605 172.605 172.331 0.274 18277 7381 1 9 . 1 1 100 100 THR CA C 99 61.114 61.114 61.911 -0.798 18277 7382 1 9 . 1 1 100 100 THR CB C 99 71.850 71.850 70.541 1.309 18277 7383 1 9 . 1 1 100 100 THR H H 99 8.997 8.997 8.802 0.195 18277 7384 1 9 . 1 1 101 101 LEU N N 100 127.613 127.613 129.478 -1.865 18277 7385 1 9 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.361 -0.412 18277 7386 1 9 . 1 1 101 101 LEU C C 100 176.666 176.666 175.707 0.959 18277 7387 1 9 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.779 0.910 18277 7388 1 9 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.575 -0.409 18277 7389 1 9 . 1 1 101 101 LEU H H 100 8.766 8.766 8.547 0.219 18277 7390 1 9 . 1 1 102 102 SER N N 101 119.771 119.771 122.833 -3.062 18277 7391 1 9 . 1 1 102 102 SER HA H 101 4.749 4.749 4.870 -0.121 18277 7392 1 9 . 1 1 102 102 SER C C 101 173.477 173.477 173.424 0.053 18277 7393 1 9 . 1 1 102 102 SER CA C 101 57.514 57.514 56.894 0.620 18277 7394 1 9 . 1 1 102 102 SER CB C 101 65.024 65.024 64.793 0.231 18277 7395 1 9 . 1 1 102 102 SER H H 101 8.926 8.926 8.653 0.273 18277 7396 1 9 . 1 1 103 103 THR N N 102 117.853 117.853 122.050 -4.197 18277 7397 1 9 . 1 1 103 103 THR HA H 102 4.618 4.618 5.004 -0.386 18277 7398 1 9 . 1 1 103 103 THR C C 102 174.020 174.020 174.034 -0.014 18277 7399 1 9 . 1 1 103 103 THR CA C 102 61.991 61.991 61.484 0.507 18277 7400 1 9 . 1 1 103 103 THR CB C 102 69.972 69.972 71.439 -1.467 18277 7401 1 9 . 1 1 103 103 THR H H 102 8.409 8.409 8.586 -0.177 18277 7402 1 9 . 1 1 104 104 ASP N N 103 125.295 125.295 122.901 2.394 18277 7403 1 9 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.885 -0.177 18277 7404 1 9 . 1 1 104 104 ASP C C 103 176.908 176.908 178.145 -1.237 18277 7405 1 9 . 1 1 104 104 ASP CA C 103 53.559 53.559 52.780 0.779 18277 7406 1 9 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.554 -0.309 18277 7407 1 9 . 1 1 104 104 ASP H H 103 8.598 8.598 8.299 0.299 18277 7408 1 9 . 1 1 105 105 MET N N 104 122.470 122.470 121.517 0.953 18277 7409 1 9 . 1 1 105 105 MET HA H 104 4.270 4.270 4.288 -0.018 18277 7410 1 9 . 1 1 105 105 MET C C 104 177.354 177.354 176.152 1.202 18277 7411 1 9 . 1 1 105 105 MET CA C 104 57.300 57.300 57.752 -0.452 18277 7412 1 9 . 1 1 105 105 MET CB C 104 32.108 32.108 32.565 -0.457 18277 7413 1 9 . 1 1 105 105 MET H H 104 8.719 8.719 8.657 0.062 18277 7414 1 9 . 1 1 106 106 GLU N N 105 118.752 118.752 117.045 1.707 18277 7415 1 9 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.254 -0.018 18277 7416 1 9 . 1 1 106 106 GLU C C 105 177.172 177.172 176.399 0.773 18277 7417 1 9 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.414 1.315 18277 7418 1 9 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.782 -0.006 18277 7419 1 9 . 1 1 106 106 GLU H H 105 8.306 8.306 7.931 0.375 18277 7420 1 9 . 1 1 107 107 MET N N 106 116.736 116.736 115.040 1.696 18277 7421 1 9 . 1 1 107 107 MET HA H 106 4.329 4.329 4.120 0.209 18277 7422 1 9 . 1 1 107 107 MET C C 106 176.319 176.319 175.173 1.146 18277 7423 1 9 . 1 1 107 107 MET CA C 106 55.514 55.514 56.597 -1.083 18277 7424 1 9 . 1 1 107 107 MET CB C 106 31.566 31.566 31.632 -0.066 18277 7425 1 9 . 1 1 107 107 MET H H 106 8.206 8.206 7.973 0.233 18277 7426 1 9 . 1 1 108 108 LYS N N 107 117.661 117.661 116.390 1.271 18277 7427 1 9 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.260 -0.174 18277 7428 1 9 . 1 1 108 108 LYS C C 107 176.049 176.049 175.694 0.355 18277 7429 1 9 . 1 1 108 108 LYS CA C 107 57.100 57.100 57.379 -0.279 18277 7430 1 9 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.959 -2.069 18277 7431 1 9 . 1 1 108 108 LYS H H 107 8.382 8.382 8.032 0.350 18277 7432 1 9 . 1 1 109 109 SER N N 108 113.019 113.019 115.206 -2.187 18277 7433 1 9 . 1 1 109 109 SER HA H 108 4.566 4.566 4.611 -0.045 18277 7434 1 9 . 1 1 109 109 SER C C 108 172.969 172.969 172.747 0.222 18277 7435 1 9 . 1 1 109 109 SER CA C 108 56.997 56.997 57.368 -0.371 18277 7436 1 9 . 1 1 109 109 SER CB C 108 65.035 65.035 64.344 0.691 18277 7437 1 9 . 1 1 109 109 SER H H 108 7.892 7.892 7.767 0.125 18277 7438 1 9 . 1 1 110 110 VAL N N 109 121.915 121.915 121.965 -0.050 18277 7439 1 9 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.706 -0.304 18277 7440 1 9 . 1 1 110 110 VAL C C 109 174.706 174.706 173.949 0.757 18277 7441 1 9 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.528 1.446 18277 7442 1 9 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.324 -2.244 18277 7443 1 9 . 1 1 110 110 VAL H H 109 7.878 7.878 7.859 0.019 18277 7444 1 9 . 1 1 111 111 TYR N N 110 122.247 122.247 119.742 2.505 18277 7445 1 9 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.436 -0.100 18277 7446 1 9 . 1 1 111 111 TYR C C 110 173.915 173.915 173.972 -0.057 18277 7447 1 9 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.123 2.139 18277 7448 1 9 . 1 1 111 111 TYR CB C 110 43.222 43.222 40.484 2.738 18277 7449 1 9 . 1 1 111 111 TYR H H 110 8.317 8.317 8.117 0.200 18277 7450 1 9 . 1 1 112 112 TYR N N 111 117.096 117.096 118.801 -1.705 18277 7451 1 9 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.522 0.347 18277 7452 1 9 . 1 1 112 112 TYR C C 111 175.418 175.418 174.890 0.528 18277 7453 1 9 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.205 0.978 18277 7454 1 9 . 1 1 112 112 TYR CB C 111 38.681 38.681 36.581 2.099 18277 7455 1 9 . 1 1 112 112 TYR H H 111 8.690 8.690 8.279 0.411 18277 7456 1 9 . 1 1 113 113 TYR N N 112 120.208 120.208 122.642 -2.434 18277 7457 1 9 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.734 0.205 18277 7458 1 9 . 1 1 113 113 TYR C C 112 176.674 176.674 176.352 0.322 18277 7459 1 9 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.635 -1.068 18277 7460 1 9 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.303 2.622 18277 7461 1 9 . 1 1 113 113 TYR H H 112 9.374 9.374 8.515 0.859 18277 7462 1 9 . 1 1 114 114 ILE N N 113 121.490 121.490 124.873 -3.383 18277 7463 1 9 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.079 0.742 18277 7464 1 9 . 1 1 114 114 ILE C C 113 176.329 176.329 176.117 0.212 18277 7465 1 9 . 1 1 114 114 ILE CA C 113 60.039 60.039 61.567 -1.528 18277 7466 1 9 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.539 -1.574 18277 7467 1 9 . 1 1 114 114 ILE H H 113 8.076 8.076 8.227 -0.151 18277 7468 1 9 . 1 1 115 115 ASN N N 114 129.212 129.212 125.831 3.381 18277 7469 1 9 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.606 0.095 18277 7470 1 9 . 1 1 115 115 ASN C C 114 175.914 175.914 174.528 1.386 18277 7471 1 9 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.495 0.527 18277 7472 1 9 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.658 -0.109 18277 7473 1 9 . 1 1 115 115 ASN H H 114 8.959 8.959 8.177 0.782 18277 7474 1 9 . 1 1 116 116 ASN N N 115 121.613 121.613 121.215 0.398 18277 7475 1 9 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.166 -0.297 18277 7476 1 9 . 1 1 116 116 ASN C C 115 178.040 178.040 174.495 3.545 18277 7477 1 9 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.822 -0.042 18277 7478 1 9 . 1 1 116 116 ASN CB C 115 39.096 39.096 38.652 0.444 18277 7479 1 9 . 1 1 116 116 ASN H H 115 8.464 8.464 8.461 0.003 18277 7480 1 9 . 1 1 117 117 CYS N N 116 120.777 120.777 115.529 5.248 18277 7481 1 9 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.832 -0.088 18277 7482 1 9 . 1 1 117 117 CYS C C 116 174.635 174.635 173.750 0.885 18277 7483 1 9 . 1 1 117 117 CYS CA C 116 60.087 60.087 59.615 0.471 18277 7484 1 9 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.809 -0.353 18277 7485 1 9 . 1 1 117 117 CYS H H 116 8.256 8.256 7.788 0.468 18277 7486 1 9 . 1 1 118 118 ASP N N 117 119.926 119.926 120.421 -0.495 18277 7487 1 9 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.819 0.080 18277 7488 1 9 . 1 1 118 118 ASP C C 117 176.225 176.225 176.369 -0.144 18277 7489 1 9 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.915 -0.505 18277 7490 1 9 . 1 1 118 118 ASP CB C 117 40.174 40.174 39.968 0.206 18277 7491 1 9 . 1 1 118 118 ASP H H 117 8.420 8.420 8.004 0.416 18277 7492 1 9 . 1 1 119 119 THR N N 118 116.185 116.185 115.698 0.487 18277 7493 1 9 . 1 1 119 119 THR HA H 118 4.315 4.315 4.208 0.107 18277 7494 1 9 . 1 1 119 119 THR C C 118 175.349 175.349 175.768 -0.419 18277 7495 1 9 . 1 1 119 119 THR CA C 118 66.029 66.029 66.827 -0.798 18277 7496 1 9 . 1 1 119 119 THR CB C 118 69.654 69.654 68.873 0.781 18277 7497 1 9 . 1 1 119 119 THR H H 118 7.712 7.712 7.762 -0.050 18277 7498 1 9 . 1 1 120 120 ASP N N 119 120.938 120.938 120.982 -0.044 18277 7499 1 9 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.702 -0.169 18277 7500 1 9 . 1 1 120 120 ASP C C 119 177.991 177.991 177.412 0.579 18277 7501 1 9 . 1 1 120 120 ASP CA C 119 56.906 56.906 56.841 0.065 18277 7502 1 9 . 1 1 120 120 ASP CB C 119 40.937 40.937 39.998 0.939 18277 7503 1 9 . 1 1 120 120 ASP H H 119 8.730 8.730 8.506 0.224 18277 7504 1 9 . 1 1 121 121 ALA N N 120 122.818 122.818 120.663 2.155 18277 7505 1 9 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.272 -0.094 18277 7506 1 9 . 1 1 121 121 ALA C C 120 178.787 178.787 179.193 -0.406 18277 7507 1 9 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.385 0.506 18277 7508 1 9 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.723 -0.252 18277 7509 1 9 . 1 1 121 121 ALA H H 120 8.033 8.033 8.205 -0.172 18277 7510 1 9 . 1 1 122 122 ASN N N 121 116.085 116.085 117.070 -0.985 18277 7511 1 9 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.687 -0.053 18277 7512 1 9 . 1 1 122 122 ASN C C 121 176.235 176.235 176.800 -0.565 18277 7513 1 9 . 1 1 122 122 ASN CA C 121 54.496 54.496 55.503 -1.007 18277 7514 1 9 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.409 -0.520 18277 7515 1 9 . 1 1 122 122 ASN H H 121 8.128 8.128 8.124 0.004 18277 7516 1 9 . 1 1 123 123 VAL N N 122 117.803 117.803 118.142 -0.339 18277 7517 1 9 . 1 1 123 123 VAL HA H 122 3.962 3.962 4.160 -0.198 18277 7518 1 9 . 1 1 123 123 VAL C C 122 176.973 176.973 176.080 0.893 18277 7519 1 9 . 1 1 123 123 VAL CA C 122 63.916 63.916 62.061 1.855 18277 7520 1 9 . 1 1 123 123 VAL CB C 122 32.895 32.895 33.541 -0.646 18277 7521 1 9 . 1 1 123 123 VAL H H 122 8.262 8.262 7.988 0.274 18277 7522 1 9 . 1 1 124 124 GLY N N 123 110.472 110.472 109.190 1.282 18277 7523 1 9 . 1 1 124 124 GLY C C 123 174.107 174.107 175.154 -1.047 18277 7524 1 9 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.933 -1.532 18277 7525 1 9 . 1 1 124 124 GLY H H 123 8.172 8.172 8.000 0.172 18277 7526 1 9 . 1 1 125 125 SER N N 124 113.065 113.065 113.675 -0.610 18277 7527 1 9 . 1 1 125 125 SER HA H 124 4.529 4.529 4.510 0.019 18277 7528 1 9 . 1 1 125 125 SER C C 124 174.664 174.664 174.267 0.397 18277 7529 1 9 . 1 1 125 125 SER CA C 124 58.981 58.981 58.912 0.069 18277 7530 1 9 . 1 1 125 125 SER CB C 124 64.492 64.492 64.854 -0.362 18277 7531 1 9 . 1 1 125 125 SER H H 124 8.139 8.139 8.525 -0.386 18277 7532 1 9 . 1 1 126 126 ASP N N 125 121.312 121.312 121.083 0.229 18277 7533 1 9 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.935 -0.228 18277 7534 1 9 . 1 1 126 126 ASP C C 125 177.029 177.029 175.576 1.453 18277 7535 1 9 . 1 1 126 126 ASP CA C 125 54.232 54.232 53.729 0.503 18277 7536 1 9 . 1 1 126 126 ASP CB C 125 40.878 40.878 43.802 -2.924 18277 7537 1 9 . 1 1 126 126 ASP H H 125 8.146 8.146 8.036 0.110 18277 7538 1 9 . 1 1 127 127 VAL N N 126 123.444 123.444 122.509 0.935 18277 7539 1 9 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.545 0.281 18277 7540 1 9 . 1 1 127 127 VAL C C 126 177.304 177.304 177.047 0.257 18277 7541 1 9 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.933 0.966 18277 7542 1 9 . 1 1 127 127 VAL CB C 126 32.222 32.222 32.545 -0.324 18277 7543 1 9 . 1 1 127 127 VAL H H 126 8.474 8.474 8.473 0.001 18277 7544 1 9 . 1 1 128 128 GLU N N 127 120.874 120.874 118.870 2.004 18277 7545 1 9 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.226 -0.293 18277 7546 1 9 . 1 1 128 128 GLU CA C 127 58.660 58.660 59.160 -0.500 18277 7547 1 9 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.218 -0.138 18277 7548 1 9 . 1 1 128 128 GLU H H 127 8.504 8.504 8.580 -0.076 18277 7549 1 9 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.765 -0.016 18277 7550 1 9 . 1 1 129 129 HIS C C 128 174.898 174.898 175.545 -0.647 18277 7551 1 9 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.630 1.817 18277 7552 1 9 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.415 0.630 18277 7553 1 9 . 1 1 130 130 TYR N N 129 122.615 122.615 122.045 0.570 18277 7554 1 9 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.532 -0.532 18277 7555 1 9 . 1 1 130 130 TYR C C 129 178.544 178.544 176.916 1.628 18277 7556 1 9 . 1 1 130 130 TYR CA C 129 62.108 62.108 60.867 1.241 18277 7557 1 9 . 1 1 130 130 TYR CB C 129 39.542 39.542 39.496 0.046 18277 7558 1 9 . 1 1 130 130 TYR H H 129 8.118 8.118 7.810 0.308 18277 7559 1 9 . 1 1 131 131 LEU N N 130 116.037 116.037 118.466 -2.429 18277 7560 1 9 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.304 0.045 18277 7561 1 9 . 1 1 131 131 LEU C C 130 179.368 179.368 179.168 0.200 18277 7562 1 9 . 1 1 131 131 LEU CA C 130 58.816 58.816 58.004 0.812 18277 7563 1 9 . 1 1 131 131 LEU CB C 130 41.369 41.369 41.024 0.345 18277 7564 1 9 . 1 1 131 131 LEU H H 130 9.092 9.092 8.412 0.680 18277 7565 1 9 . 1 1 132 132 THR N N 131 113.629 113.629 107.803 5.826 18277 7566 1 9 . 1 1 132 132 THR HA H 131 4.007 4.007 4.169 -0.162 18277 7567 1 9 . 1 1 132 132 THR C C 131 177.255 177.255 176.329 0.926 18277 7568 1 9 . 1 1 132 132 THR CA C 131 66.505 66.505 65.235 1.270 18277 7569 1 9 . 1 1 132 132 THR CB C 131 68.052 68.052 68.603 -0.551 18277 7570 1 9 . 1 1 132 132 THR H H 131 8.129 8.129 8.088 0.041 18277 7571 1 9 . 1 1 133 133 ARG N N 132 124.720 124.720 121.677 3.043 18277 7572 1 9 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.230 -0.114 18277 7573 1 9 . 1 1 133 133 ARG C C 132 178.921 178.921 176.774 2.147 18277 7574 1 9 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.060 1.976 18277 7575 1 9 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.229 0.045 18277 7576 1 9 . 1 1 133 133 ARG H H 132 8.187 8.187 7.697 0.490 18277 7577 1 9 . 1 1 134 134 TRP N N 133 120.307 120.307 118.857 1.450 18277 7578 1 9 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.435 -0.208 18277 7579 1 9 . 1 1 134 134 TRP C C 133 177.823 177.823 177.046 0.777 18277 7580 1 9 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.497 2.973 18277 7581 1 9 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.166 -1.411 18277 7582 1 9 . 1 1 134 134 TRP H H 133 9.167 9.167 8.058 1.109 18277 7583 1 9 . 1 1 135 135 ILE N N 134 117.595 117.595 120.411 -2.816 18277 7584 1 9 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.385 0.198 18277 7585 1 9 . 1 1 135 135 ILE C C 134 176.333 176.333 177.347 -1.014 18277 7586 1 9 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.962 -3.254 18277 7587 1 9 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.008 -0.875 18277 7588 1 9 . 1 1 135 135 ILE H H 134 9.000 9.000 7.823 1.177 18277 7589 1 9 . 1 1 136 136 SER N N 135 116.548 116.548 113.275 3.273 18277 7590 1 9 . 1 1 136 136 SER HA H 135 3.931 3.931 4.153 -0.222 18277 7591 1 9 . 1 1 136 136 SER C C 135 174.339 174.339 175.513 -1.174 18277 7592 1 9 . 1 1 136 136 SER CA C 135 62.535 62.535 59.744 2.791 18277 7593 1 9 . 1 1 136 136 SER CB C 135 62.820 62.820 62.531 0.289 18277 7594 1 9 . 1 1 136 136 SER H H 135 7.592 7.592 7.705 -0.113 18277 7595 1 9 . 1 1 137 137 LEU N N 136 119.693 119.693 121.458 -1.765 18277 7596 1 9 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.318 -0.121 18277 7597 1 9 . 1 1 137 137 LEU C C 136 178.376 178.376 177.275 1.101 18277 7598 1 9 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.866 0.250 18277 7599 1 9 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.407 0.581 18277 7600 1 9 . 1 1 137 137 LEU H H 136 7.247 7.247 7.630 -0.383 18277 7601 1 9 . 1 1 138 138 TYR N N 137 116.295 116.295 117.170 -0.875 18277 7602 1 9 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.115 -0.471 18277 7603 1 9 . 1 1 138 138 TYR C C 137 178.142 178.142 177.272 0.870 18277 7604 1 9 . 1 1 138 138 TYR CA C 137 61.396 61.396 58.097 3.299 18277 7605 1 9 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.266 -0.359 18277 7606 1 9 . 1 1 138 138 TYR H H 137 8.057 8.057 7.760 0.297 18277 7607 1 9 . 1 1 139 139 ILE N N 138 117.755 117.755 121.135 -3.380 18277 7608 1 9 . 1 1 139 139 ILE HA H 138 3.818 3.818 2.254 1.564 18277 7609 1 9 . 1 1 139 139 ILE C C 138 176.943 176.943 177.251 -0.308 18277 7610 1 9 . 1 1 139 139 ILE CA C 138 61.684 61.684 62.676 -0.992 18277 7611 1 9 . 1 1 139 139 ILE CB C 138 36.768 36.768 36.559 0.209 18277 7612 1 9 . 1 1 139 139 ILE H H 138 8.371 8.371 7.508 0.863 18277 7613 1 9 . 1 1 140 140 ARG N N 139 118.103 118.103 117.993 0.110 18277 7614 1 9 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.231 -0.156 18277 7615 1 9 . 1 1 140 140 ARG C C 139 176.776 176.776 177.885 -1.109 18277 7616 1 9 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.781 -1.252 18277 7617 1 9 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.819 0.022 18277 7618 1 9 . 1 1 140 140 ARG H H 139 6.762 6.762 7.894 -1.132 18277 7619 1 9 . 1 1 141 141 ILE N N 140 117.603 117.603 118.120 -0.517 18277 7620 1 9 . 1 1 141 141 ILE HA H 140 3.771 3.771 4.010 -0.239 18277 7621 1 9 . 1 1 141 141 ILE C C 140 176.448 176.448 176.671 -0.223 18277 7622 1 9 . 1 1 141 141 ILE CA C 140 63.370 63.370 64.026 -0.656 18277 7623 1 9 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.912 0.907 18277 7624 1 9 . 1 1 141 141 ILE H H 140 7.056 7.056 8.278 -1.222 18277 7625 1 9 . 1 1 142 142 PHE N N 141 114.969 114.969 116.699 -1.730 18277 7626 1 9 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.521 -0.127 18277 7627 1 9 . 1 1 142 142 PHE C C 141 175.503 175.503 175.902 -0.399 18277 7628 1 9 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.680 -0.554 18277 7629 1 9 . 1 1 142 142 PHE CB C 141 40.438 40.438 40.616 -0.178 18277 7630 1 9 . 1 1 142 142 PHE H H 141 7.287 7.287 7.695 -0.408 18277 7631 1 9 . 1 1 143 143 ASP N N 142 116.492 116.492 119.344 -2.852 18277 7632 1 9 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.862 -0.117 18277 7633 1 9 . 1 1 143 143 ASP C C 142 175.131 175.131 175.478 -0.347 18277 7634 1 9 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.624 0.389 18277 7635 1 9 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.355 0.640 18277 7636 1 9 . 1 1 143 143 ASP H H 142 7.697 7.697 8.032 -0.335 18277 7637 1 9 . 1 1 144 144 LEU N N 143 126.435 126.435 125.996 0.439 18277 7638 1 9 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.356 -0.170 18277 7639 1 9 . 1 1 144 144 LEU C C 143 177.297 177.297 176.991 0.306 18277 7640 1 9 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.818 1.123 18277 7641 1 9 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.946 0.664 18277 7642 1 9 . 1 1 144 144 LEU H H 143 8.790 8.790 8.871 -0.081 18277 7643 1 9 . 1 1 145 145 ASN N N 144 114.711 114.711 115.860 -1.149 18277 7644 1 9 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.831 -0.008 18277 7645 1 9 . 1 1 145 145 ASN C C 144 174.879 174.879 174.775 0.104 18277 7646 1 9 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.759 -0.608 18277 7647 1 9 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.835 -1.140 18277 7648 1 9 . 1 1 145 145 ASN H H 144 8.569 8.569 8.733 -0.164 18277 7649 1 9 . 1 1 146 146 PHE N N 145 121.472 121.472 123.536 -2.064 18277 7650 1 9 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.343 0.166 18277 7651 1 9 . 1 1 146 146 PHE C C 145 173.397 173.397 174.413 -1.016 18277 7652 1 9 . 1 1 146 146 PHE CA C 145 57.895 57.895 58.200 -0.305 18277 7653 1 9 . 1 1 146 146 PHE CB C 145 38.987 38.987 39.203 -0.215 18277 7654 1 9 . 1 1 146 146 PHE H H 145 7.214 7.214 7.710 -0.496 18277 7655 1 9 . 1 1 147 147 VAL N N 146 128.813 128.813 125.594 3.219 18277 7656 1 9 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.360 -0.288 18277 7657 1 9 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.750 0.948 18277 7658 1 9 . 1 1 147 147 VAL CB C 146 33.469 33.469 30.890 2.579 18277 7659 1 9 . 1 1 147 147 VAL H H 146 7.666 7.666 7.795 -0.129 18277 7660 1 10 . 1 1 2 2 MET N N 1 121.461 121.461 120.425 1.036 18277 7661 1 10 . 1 1 2 2 MET HA H 1 4.581 4.581 3.911 0.670 18277 7662 1 10 . 1 1 2 2 MET C C 1 175.184 175.184 174.708 0.476 18277 7663 1 10 . 1 1 2 2 MET CA C 1 55.447 55.447 56.771 -1.324 18277 7664 1 10 . 1 1 2 2 MET CB C 1 34.107 34.107 32.231 1.876 18277 7665 1 10 . 1 1 2 2 MET H H 1 8.431 8.431 8.640 -0.209 18277 7666 1 10 . 1 1 3 3 LEU N N 2 123.575 123.575 120.867 2.708 18277 7667 1 10 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.375 0.095 18277 7668 1 10 . 1 1 3 3 LEU C C 2 176.479 176.479 176.458 0.021 18277 7669 1 10 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.258 -0.714 18277 7670 1 10 . 1 1 3 3 LEU CB C 2 43.200 43.200 42.217 0.983 18277 7671 1 10 . 1 1 3 3 LEU H H 2 8.678 8.678 7.559 1.119 18277 7672 1 10 . 1 1 4 4 THR N N 3 119.326 119.326 117.646 1.680 18277 7673 1 10 . 1 1 4 4 THR HA H 3 4.398 4.398 4.740 -0.342 18277 7674 1 10 . 1 1 4 4 THR C C 3 173.920 173.920 175.786 -1.866 18277 7675 1 10 . 1 1 4 4 THR CA C 3 61.025 61.025 60.378 0.647 18277 7676 1 10 . 1 1 4 4 THR CB C 3 71.090 71.090 70.272 0.818 18277 7677 1 10 . 1 1 4 4 THR H H 3 8.541 8.541 8.190 0.351 18277 7678 1 10 . 1 1 5 5 LEU N N 4 122.107 122.107 120.574 1.533 18277 7679 1 10 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.806 -0.518 18277 7680 1 10 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.570 0.522 18277 7681 1 10 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.740 0.066 18277 7682 1 10 . 1 1 5 5 LEU H H 4 8.777 8.777 8.497 0.280 18277 7683 1 10 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.399 -0.053 18277 7684 1 10 . 1 1 6 6 PRO C C 5 179.812 179.812 177.738 2.074 18277 7685 1 10 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.992 1.268 18277 7686 1 10 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.146 -0.087 18277 7687 1 10 . 1 1 7 7 GLU N N 6 117.744 117.744 116.963 0.781 18277 7688 1 10 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.302 -0.276 18277 7689 1 10 . 1 1 7 7 GLU C C 6 178.359 178.359 177.243 1.116 18277 7690 1 10 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.358 0.745 18277 7691 1 10 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.348 -0.077 18277 7692 1 10 . 1 1 7 7 GLU H H 6 7.088 7.088 7.917 -0.829 18277 7693 1 10 . 1 1 8 8 TYR N N 7 120.825 120.825 118.817 2.008 18277 7694 1 10 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.471 -0.576 18277 7695 1 10 . 1 1 8 8 TYR C C 7 176.641 176.641 177.353 -0.712 18277 7696 1 10 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.846 1.673 18277 7697 1 10 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.235 -1.508 18277 7698 1 10 . 1 1 8 8 TYR H H 7 8.310 8.310 7.850 0.460 18277 7699 1 10 . 1 1 9 9 ASN N N 8 118.086 118.086 118.921 -0.835 18277 7700 1 10 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.014 0.304 18277 7701 1 10 . 1 1 9 9 ASN C C 8 179.060 179.060 177.713 1.347 18277 7702 1 10 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.701 0.073 18277 7703 1 10 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.766 0.543 18277 7704 1 10 . 1 1 9 9 ASN H H 8 8.791 8.791 8.625 0.166 18277 7705 1 10 . 1 1 10 10 GLU N N 9 120.057 120.057 119.082 0.975 18277 7706 1 10 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.176 -0.063 18277 7707 1 10 . 1 1 10 10 GLU C C 9 177.853 177.853 176.994 0.859 18277 7708 1 10 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.624 -0.118 18277 7709 1 10 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.396 0.245 18277 7710 1 10 . 1 1 10 10 GLU H H 9 8.013 8.013 8.529 -0.516 18277 7711 1 10 . 1 1 11 11 GLN N N 10 116.468 116.468 116.796 -0.328 18277 7712 1 10 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.554 -0.104 18277 7713 1 10 . 1 1 11 11 GLN C C 10 177.470 177.470 176.294 1.176 18277 7714 1 10 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.413 1.584 18277 7715 1 10 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.208 1.517 18277 7716 1 10 . 1 1 11 11 GLN H H 10 7.488 7.488 7.700 -0.212 18277 7717 1 10 . 1 1 12 12 ILE N N 11 124.393 124.393 122.161 2.232 18277 7718 1 10 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.730 0.098 18277 7719 1 10 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.704 -2.198 18277 7720 1 10 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.234 -0.976 18277 7721 1 10 . 1 1 12 12 ILE H H 11 7.605 7.605 7.002 0.603 18277 7722 1 10 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.491 -0.254 18277 7723 1 10 . 1 1 13 13 PRO C C 12 179.113 179.113 176.573 2.540 18277 7724 1 10 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.516 1.911 18277 7725 1 10 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.824 0.253 18277 7726 1 10 . 1 1 14 14 ASN N N 13 115.499 115.499 116.836 -1.337 18277 7727 1 10 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.715 -0.123 18277 7728 1 10 . 1 1 14 14 ASN C C 13 178.208 178.208 177.272 0.936 18277 7729 1 10 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.862 0.929 18277 7730 1 10 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.564 -0.520 18277 7731 1 10 . 1 1 14 14 ASN H H 13 7.793 7.793 7.976 -0.183 18277 7732 1 10 . 1 1 15 15 VAL N N 14 121.205 121.205 120.888 0.317 18277 7733 1 10 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.862 -0.162 18277 7734 1 10 . 1 1 15 15 VAL C C 14 176.999 176.999 177.339 -0.340 18277 7735 1 10 . 1 1 15 15 VAL CA C 14 66.544 66.544 65.667 0.877 18277 7736 1 10 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.538 -0.113 18277 7737 1 10 . 1 1 15 15 VAL H H 14 7.704 7.704 7.799 -0.095 18277 7738 1 10 . 1 1 16 16 ARG N N 15 121.067 121.067 119.567 1.500 18277 7739 1 10 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.143 -0.429 18277 7740 1 10 . 1 1 16 16 ARG C C 15 178.150 178.150 178.107 0.043 18277 7741 1 10 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.392 1.127 18277 7742 1 10 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.621 0.594 18277 7743 1 10 . 1 1 16 16 ARG H H 15 8.855 8.855 7.790 1.065 18277 7744 1 10 . 1 1 17 17 SER N N 16 112.741 112.741 115.640 -2.899 18277 7745 1 10 . 1 1 17 17 SER HA H 16 4.245 4.245 4.353 -0.108 18277 7746 1 10 . 1 1 17 17 SER C C 16 177.177 177.177 176.743 0.434 18277 7747 1 10 . 1 1 17 17 SER CA C 16 61.756 61.756 61.302 0.454 18277 7748 1 10 . 1 1 17 17 SER CB C 16 62.785 62.785 63.021 -0.236 18277 7749 1 10 . 1 1 17 17 SER H H 16 7.987 7.987 7.974 0.013 18277 7750 1 10 . 1 1 18 18 LEU N N 17 122.703 122.703 120.799 1.904 18277 7751 1 10 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.402 -0.145 18277 7752 1 10 . 1 1 18 18 LEU C C 17 179.350 179.350 178.662 0.688 18277 7753 1 10 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.507 0.977 18277 7754 1 10 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.158 1.317 18277 7755 1 10 . 1 1 18 18 LEU H H 17 7.728 7.728 7.692 0.036 18277 7756 1 10 . 1 1 19 19 LEU N N 18 116.536 116.536 120.711 -4.175 18277 7757 1 10 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.286 -0.055 18277 7758 1 10 . 1 1 19 19 LEU C C 18 178.556 178.556 179.114 -0.558 18277 7759 1 10 . 1 1 19 19 LEU CA C 18 57.275 57.275 58.172 -0.897 18277 7760 1 10 . 1 1 19 19 LEU CB C 18 41.716 41.716 40.465 1.252 18277 7761 1 10 . 1 1 19 19 LEU H H 18 8.367 8.367 8.301 0.066 18277 7762 1 10 . 1 1 20 20 THR N N 19 111.172 111.172 110.256 0.916 18277 7763 1 10 . 1 1 20 20 THR HA H 19 4.072 4.072 4.152 -0.080 18277 7764 1 10 . 1 1 20 20 THR C C 19 175.433 175.433 175.831 -0.398 18277 7765 1 10 . 1 1 20 20 THR CA C 19 65.421 65.421 64.692 0.729 18277 7766 1 10 . 1 1 20 20 THR CB C 19 69.541 69.541 68.165 1.375 18277 7767 1 10 . 1 1 20 20 THR H H 19 7.926 7.926 7.767 0.159 18277 7768 1 10 . 1 1 21 21 LYS N N 20 117.696 117.696 119.271 -1.575 18277 7769 1 10 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.467 -0.116 18277 7770 1 10 . 1 1 21 21 LYS C C 20 176.229 176.229 177.696 -1.467 18277 7771 1 10 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.256 0.258 18277 7772 1 10 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.771 -0.422 18277 7773 1 10 . 1 1 21 21 LYS H H 20 7.350 7.350 8.252 -0.902 18277 7774 1 10 . 1 1 22 22 TRP N N 21 123.258 123.258 123.090 0.168 18277 7775 1 10 . 1 1 22 22 TRP HA H 21 4.768 4.768 4.286 0.482 18277 7776 1 10 . 1 1 22 22 TRP C C 21 177.333 177.333 176.671 0.662 18277 7777 1 10 . 1 1 22 22 TRP CA C 21 54.466 54.466 57.380 -2.913 18277 7778 1 10 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.857 0.025 18277 7779 1 10 . 1 1 22 22 TRP H H 21 7.710 7.710 7.876 -0.166 18277 7780 1 10 . 1 1 23 23 ALA N N 22 133.336 133.336 128.282 5.054 18277 7781 1 10 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.285 -0.139 18277 7782 1 10 . 1 1 23 23 ALA C C 22 177.467 177.467 177.607 -0.140 18277 7783 1 10 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.004 1.851 18277 7784 1 10 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.456 -0.492 18277 7785 1 10 . 1 1 23 23 ALA H H 22 9.658 9.658 9.016 0.642 18277 7786 1 10 . 1 1 24 24 LYS N N 23 111.352 111.352 116.999 -5.647 18277 7787 1 10 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.094 -0.094 18277 7788 1 10 . 1 1 24 24 LYS C C 23 175.467 175.467 175.790 -0.323 18277 7789 1 10 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.499 -0.977 18277 7790 1 10 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.432 0.874 18277 7791 1 10 . 1 1 24 24 LYS H H 23 5.756 5.756 7.916 -2.160 18277 7792 1 10 . 1 1 25 25 VAL N N 24 119.937 119.937 118.534 1.403 18277 7793 1 10 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.754 -0.376 18277 7794 1 10 . 1 1 25 25 VAL C C 24 175.634 175.634 175.972 -0.338 18277 7795 1 10 . 1 1 25 25 VAL CA C 24 64.463 64.463 62.885 1.578 18277 7796 1 10 . 1 1 25 25 VAL CB C 24 32.021 32.021 29.848 2.173 18277 7797 1 10 . 1 1 25 25 VAL H H 24 7.179 7.179 7.123 0.056 18277 7798 1 10 . 1 1 26 26 GLU N N 25 127.218 127.218 129.066 -1.848 18277 7799 1 10 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.219 0.189 18277 7800 1 10 . 1 1 26 26 GLU C C 25 176.448 176.448 176.455 -0.007 18277 7801 1 10 . 1 1 26 26 GLU CA C 25 56.976 56.976 57.492 -0.516 18277 7802 1 10 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.158 0.248 18277 7803 1 10 . 1 1 26 26 GLU H H 25 9.017 9.017 8.835 0.182 18277 7804 1 10 . 1 1 27 27 ARG N N 26 117.397 117.397 118.195 -0.798 18277 7805 1 10 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.621 -0.094 18277 7806 1 10 . 1 1 27 27 ARG C C 26 173.508 173.508 174.242 -0.734 18277 7807 1 10 . 1 1 27 27 ARG CA C 26 56.216 56.216 55.307 0.909 18277 7808 1 10 . 1 1 27 27 ARG CB C 26 33.963 33.963 33.610 0.353 18277 7809 1 10 . 1 1 27 27 ARG H H 26 7.521 7.521 7.508 0.013 18277 7810 1 10 . 1 1 28 28 ILE N N 27 123.297 123.297 123.279 0.018 18277 7811 1 10 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.319 0.362 18277 7812 1 10 . 1 1 28 28 ILE C C 27 173.872 173.872 174.333 -0.461 18277 7813 1 10 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.900 0.190 18277 7814 1 10 . 1 1 28 28 ILE CB C 27 40.685 40.685 39.832 0.853 18277 7815 1 10 . 1 1 28 28 ILE H H 27 8.662 8.662 8.505 0.157 18277 7816 1 10 . 1 1 29 29 GLN N N 28 125.810 125.810 128.419 -2.609 18277 7817 1 10 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.788 -0.036 18277 7818 1 10 . 1 1 29 29 GLN C C 28 174.329 174.329 174.039 0.290 18277 7819 1 10 . 1 1 29 29 GLN CA C 28 54.069 54.069 53.758 0.311 18277 7820 1 10 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.310 -0.368 18277 7821 1 10 . 1 1 29 29 GLN H H 28 9.282 9.282 9.147 0.135 18277 7822 1 10 . 1 1 30 30 ASP N N 29 125.001 125.001 120.277 4.724 18277 7823 1 10 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.877 0.009 18277 7824 1 10 . 1 1 30 30 ASP C C 29 175.522 175.522 175.242 0.280 18277 7825 1 10 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.766 2.690 18277 7826 1 10 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.144 -1.821 18277 7827 1 10 . 1 1 30 30 ASP H H 29 8.666 8.666 8.433 0.233 18277 7828 1 10 . 1 1 31 31 VAL N N 30 116.978 116.978 114.549 2.429 18277 7829 1 10 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.575 0.069 18277 7830 1 10 . 1 1 31 31 VAL C C 30 175.448 175.448 174.575 0.873 18277 7831 1 10 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.525 -0.347 18277 7832 1 10 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.713 0.411 18277 7833 1 10 . 1 1 31 31 VAL H H 30 7.784 7.784 8.202 -0.418 18277 7834 1 10 . 1 1 32 32 GLN N N 31 121.763 121.763 121.961 -0.198 18277 7835 1 10 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.223 -0.190 18277 7836 1 10 . 1 1 32 32 GLN C C 31 176.620 176.620 175.778 0.842 18277 7837 1 10 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.086 1.097 18277 7838 1 10 . 1 1 32 32 GLN CB C 31 28.042 28.042 27.903 0.139 18277 7839 1 10 . 1 1 32 32 GLN H H 31 8.515 8.515 8.573 -0.058 18277 7840 1 10 . 1 1 33 33 ASP N N 32 121.199 121.199 124.598 -3.399 18277 7841 1 10 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.549 0.426 18277 7842 1 10 . 1 1 33 33 ASP C C 32 176.998 176.998 174.549 2.449 18277 7843 1 10 . 1 1 33 33 ASP CA C 32 55.528 55.528 55.188 0.340 18277 7844 1 10 . 1 1 33 33 ASP CB C 32 40.659 40.659 40.655 0.004 18277 7845 1 10 . 1 1 33 33 ASP H H 32 9.134 9.134 8.397 0.737 18277 7846 1 10 . 1 1 34 34 GLY N N 33 106.691 106.691 102.280 4.411 18277 7847 1 10 . 1 1 34 34 GLY C C 33 171.453 171.453 171.675 -0.222 18277 7848 1 10 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.611 1.754 18277 7849 1 10 . 1 1 34 34 GLY H H 33 8.104 8.104 7.622 0.482 18277 7850 1 10 . 1 1 35 35 LEU N N 34 119.801 119.801 119.695 0.106 18277 7851 1 10 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.910 0.373 18277 7852 1 10 . 1 1 35 35 LEU C C 34 174.568 174.568 174.302 0.266 18277 7853 1 10 . 1 1 35 35 LEU CA C 34 53.568 53.568 54.918 -1.350 18277 7854 1 10 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.169 2.103 18277 7855 1 10 . 1 1 35 35 LEU H H 34 8.491 8.491 8.078 0.413 18277 7856 1 10 . 1 1 36 36 GLN N N 35 121.349 121.349 122.033 -0.684 18277 7857 1 10 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.304 -0.087 18277 7858 1 10 . 1 1 36 36 GLN C C 35 174.530 174.530 174.021 0.509 18277 7859 1 10 . 1 1 36 36 GLN CA C 35 54.764 54.764 53.954 0.810 18277 7860 1 10 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.337 0.143 18277 7861 1 10 . 1 1 36 36 GLN H H 35 8.992 8.992 8.904 0.088 18277 7862 1 10 . 1 1 37 37 LEU N N 36 126.882 126.882 127.460 -0.578 18277 7863 1 10 . 1 1 37 37 LEU HA H 36 5.358 5.358 4.868 0.490 18277 7864 1 10 . 1 1 37 37 LEU C C 36 174.519 174.519 175.624 -1.105 18277 7865 1 10 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.628 1.303 18277 7866 1 10 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.702 0.549 18277 7867 1 10 . 1 1 37 37 LEU H H 36 9.826 9.826 8.481 1.345 18277 7868 1 10 . 1 1 38 38 ASP N N 37 122.748 122.748 123.231 -0.483 18277 7869 1 10 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.823 0.626 18277 7870 1 10 . 1 1 38 38 ASP C C 37 175.197 175.197 175.227 -0.030 18277 7871 1 10 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.634 -0.255 18277 7872 1 10 . 1 1 38 38 ASP CB C 37 42.062 42.062 40.825 1.237 18277 7873 1 10 . 1 1 38 38 ASP H H 37 8.556 8.556 8.247 0.309 18277 7874 1 10 . 1 1 39 39 VAL N N 38 124.835 124.835 124.447 0.388 18277 7875 1 10 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.413 0.728 18277 7876 1 10 . 1 1 39 39 VAL C C 38 174.081 174.081 174.898 -0.817 18277 7877 1 10 . 1 1 39 39 VAL CA C 38 60.442 60.442 62.178 -1.736 18277 7878 1 10 . 1 1 39 39 VAL CB C 38 34.594 34.594 31.259 3.336 18277 7879 1 10 . 1 1 39 39 VAL H H 38 9.495 9.495 8.881 0.614 18277 7880 1 10 . 1 1 40 40 ARG N N 39 131.221 131.221 128.960 2.261 18277 7881 1 10 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.303 0.213 18277 7882 1 10 . 1 1 40 40 ARG C C 39 174.144 174.144 176.072 -1.928 18277 7883 1 10 . 1 1 40 40 ARG CA C 39 53.504 53.504 54.314 -0.810 18277 7884 1 10 . 1 1 40 40 ARG CB C 39 28.119 28.119 27.940 0.179 18277 7885 1 10 . 1 1 40 40 ARG H H 39 9.046 9.046 8.534 0.512 18277 7886 1 10 . 1 1 41 41 LEU N N 40 129.501 129.501 121.938 7.563 18277 7887 1 10 . 1 1 41 41 LEU HA H 40 4.026 4.026 3.941 0.085 18277 7888 1 10 . 1 1 41 41 LEU C C 40 176.934 176.934 177.040 -0.106 18277 7889 1 10 . 1 1 41 41 LEU CA C 40 57.863 57.863 56.922 0.941 18277 7890 1 10 . 1 1 41 41 LEU CB C 40 43.748 43.748 41.913 1.835 18277 7891 1 10 . 1 1 41 41 LEU H H 40 7.786 7.786 8.198 -0.412 18277 7892 1 10 . 1 1 42 42 LYS N N 41 112.553 112.553 115.622 -3.069 18277 7893 1 10 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.426 0.268 18277 7894 1 10 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.259 -1.080 18277 7895 1 10 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.205 0.798 18277 7896 1 10 . 1 1 42 42 LYS H H 41 8.313 8.313 7.653 0.660 18277 7897 1 10 . 1 1 43 43 THR HA H 42 3.860 3.860 4.181 -0.321 18277 7898 1 10 . 1 1 43 43 THR C C 42 174.883 174.883 174.326 0.557 18277 7899 1 10 . 1 1 43 43 THR CA C 42 66.494 66.494 64.983 1.511 18277 7900 1 10 . 1 1 43 43 THR CB C 42 68.508 68.508 68.912 -0.404 18277 7901 1 10 . 1 1 44 44 ASP N N 43 114.795 114.795 116.642 -1.847 18277 7902 1 10 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.752 0.077 18277 7903 1 10 . 1 1 44 44 ASP C C 43 176.791 176.791 174.578 2.213 18277 7904 1 10 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.554 -0.633 18277 7905 1 10 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.872 0.198 18277 7906 1 10 . 1 1 44 44 ASP H H 43 7.759 7.759 8.037 -0.279 18277 7907 1 10 . 1 1 45 45 THR N N 44 115.323 115.323 117.722 -2.399 18277 7908 1 10 . 1 1 45 45 THR HA H 44 5.303 5.303 4.648 0.655 18277 7909 1 10 . 1 1 45 45 THR C C 44 171.480 171.480 172.902 -1.422 18277 7910 1 10 . 1 1 45 45 THR CA C 44 62.732 62.732 62.063 0.669 18277 7911 1 10 . 1 1 45 45 THR CB C 44 72.378 72.378 71.243 1.135 18277 7912 1 10 . 1 1 45 45 THR H H 44 7.551 7.551 7.801 -0.250 18277 7913 1 10 . 1 1 46 46 LEU N N 45 130.323 130.323 128.666 1.657 18277 7914 1 10 . 1 1 46 46 LEU HA H 45 4.954 4.954 4.783 0.171 18277 7915 1 10 . 1 1 46 46 LEU C C 45 174.048 174.048 173.955 0.093 18277 7916 1 10 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.480 -0.123 18277 7917 1 10 . 1 1 46 46 LEU CB C 45 45.735 45.735 45.311 0.424 18277 7918 1 10 . 1 1 46 46 LEU H H 45 9.590 9.590 8.435 1.155 18277 7919 1 10 . 1 1 47 47 LEU N N 46 127.468 127.468 127.472 -0.004 18277 7920 1 10 . 1 1 47 47 LEU HA H 46 5.150 5.150 4.872 0.278 18277 7921 1 10 . 1 1 47 47 LEU C C 46 173.309 173.309 174.810 -1.501 18277 7922 1 10 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.725 -0.138 18277 7923 1 10 . 1 1 47 47 LEU CB C 46 45.122 45.122 44.197 0.925 18277 7924 1 10 . 1 1 47 47 LEU H H 46 9.673 9.673 9.060 0.613 18277 7925 1 10 . 1 1 48 48 GLU N N 47 131.371 131.371 127.059 4.312 18277 7926 1 10 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.766 0.456 18277 7927 1 10 . 1 1 48 48 GLU C C 47 173.970 173.970 174.858 -0.888 18277 7928 1 10 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.456 -1.783 18277 7929 1 10 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.356 1.554 18277 7930 1 10 . 1 1 48 48 GLU H H 47 9.400 9.400 8.688 0.712 18277 7931 1 10 . 1 1 49 49 LEU N N 48 129.742 129.742 127.063 2.679 18277 7932 1 10 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.601 0.386 18277 7933 1 10 . 1 1 49 49 LEU C C 48 174.115 174.115 175.042 -0.927 18277 7934 1 10 . 1 1 49 49 LEU CA C 48 54.673 54.673 53.865 0.807 18277 7935 1 10 . 1 1 49 49 LEU CB C 48 45.638 45.638 43.002 2.636 18277 7936 1 10 . 1 1 49 49 LEU H H 48 9.433 9.433 8.315 1.118 18277 7937 1 10 . 1 1 50 50 HIS N N 49 126.356 126.356 126.266 0.090 18277 7938 1 10 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.651 -0.231 18277 7939 1 10 . 1 1 50 50 HIS C C 49 174.293 174.293 174.601 -0.308 18277 7940 1 10 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.558 2.068 18277 7941 1 10 . 1 1 50 50 HIS CB C 49 33.850 33.850 33.140 0.710 18277 7942 1 10 . 1 1 50 50 HIS H H 49 9.575 9.575 9.295 0.280 18277 7943 1 10 . 1 1 51 51 ILE N N 50 123.679 123.679 124.873 -1.194 18277 7944 1 10 . 1 1 51 51 ILE HA H 50 5.246 5.246 5.236 0.010 18277 7945 1 10 . 1 1 51 51 ILE C C 50 175.021 175.021 173.678 1.343 18277 7946 1 10 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.099 1.494 18277 7947 1 10 . 1 1 51 51 ILE CB C 50 40.771 40.771 40.452 0.319 18277 7948 1 10 . 1 1 51 51 ILE H H 50 8.991 8.991 8.298 0.693 18277 7949 1 10 . 1 1 52 52 TYR N N 51 126.281 126.281 123.897 2.384 18277 7950 1 10 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.581 -0.110 18277 7951 1 10 . 1 1 52 52 TYR C C 51 171.145 171.145 173.018 -1.873 18277 7952 1 10 . 1 1 52 52 TYR CA C 51 55.612 55.612 54.572 1.040 18277 7953 1 10 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.517 0.604 18277 7954 1 10 . 1 1 52 52 TYR H H 51 9.189 9.189 7.985 1.204 18277 7955 1 10 . 1 1 53 53 TYR N N 52 120.025 120.025 119.206 0.819 18277 7956 1 10 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.129 -0.322 18277 7957 1 10 . 1 1 53 53 TYR C C 52 173.874 173.874 174.159 -0.285 18277 7958 1 10 . 1 1 53 53 TYR CA C 52 56.962 56.962 56.564 0.398 18277 7959 1 10 . 1 1 53 53 TYR CB C 52 39.544 39.544 40.767 -1.223 18277 7960 1 10 . 1 1 53 53 TYR H H 52 7.985 7.985 8.487 -0.502 18277 7961 1 10 . 1 1 54 54 ASP N N 53 127.411 127.411 125.763 1.648 18277 7962 1 10 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.827 -0.134 18277 7963 1 10 . 1 1 54 54 ASP C C 53 175.962 175.962 175.517 0.445 18277 7964 1 10 . 1 1 54 54 ASP CA C 53 52.977 52.977 52.507 0.470 18277 7965 1 10 . 1 1 54 54 ASP CB C 53 43.028 43.028 41.952 1.077 18277 7966 1 10 . 1 1 54 54 ASP H H 53 7.449 7.449 7.937 -0.488 18277 7967 1 10 . 1 1 55 55 HIS N N 54 124.486 124.486 121.824 2.662 18277 7968 1 10 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.271 -0.292 18277 7969 1 10 . 1 1 55 55 HIS C C 54 175.406 175.406 175.543 -0.137 18277 7970 1 10 . 1 1 55 55 HIS CA C 54 58.617 58.617 57.411 1.206 18277 7971 1 10 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.597 1.820 18277 7972 1 10 . 1 1 55 55 HIS H H 54 8.512 8.512 8.870 -0.358 18277 7973 1 10 . 1 1 56 56 VAL N N 55 120.625 120.625 114.005 6.620 18277 7974 1 10 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.822 -0.286 18277 7975 1 10 . 1 1 56 56 VAL C C 55 177.379 177.379 175.799 1.580 18277 7976 1 10 . 1 1 56 56 VAL CA C 55 65.174 65.174 64.383 0.791 18277 7977 1 10 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.495 -0.221 18277 7978 1 10 . 1 1 56 56 VAL H H 55 8.397 8.397 7.470 0.927 18277 7979 1 10 . 1 1 57 57 TYR N N 56 115.771 115.771 115.291 0.480 18277 7980 1 10 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.838 -0.572 18277 7981 1 10 . 1 1 57 57 TYR C C 56 174.645 174.645 174.887 -0.242 18277 7982 1 10 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.063 1.663 18277 7983 1 10 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.253 0.313 18277 7984 1 10 . 1 1 57 57 TYR H H 56 7.641 7.641 7.245 0.396 18277 7985 1 10 . 1 1 58 58 HIS N N 57 116.177 116.177 116.189 -0.012 18277 7986 1 10 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.115 -0.368 18277 7987 1 10 . 1 1 58 58 HIS C C 57 172.860 172.860 172.720 0.140 18277 7988 1 10 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.413 -0.765 18277 7989 1 10 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.491 -2.189 18277 7990 1 10 . 1 1 58 58 HIS H H 57 7.764 7.764 8.029 -0.265 18277 7991 1 10 . 1 1 59 59 VAL N N 58 104.729 104.729 111.929 -7.200 18277 7992 1 10 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.517 0.183 18277 7993 1 10 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.036 -1.704 18277 7994 1 10 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.288 0.925 18277 7995 1 10 . 1 1 59 59 VAL H H 58 6.310 6.310 7.391 -1.081 18277 7996 1 10 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.478 -0.133 18277 7997 1 10 . 1 1 60 60 PRO C C 59 174.254 174.254 175.531 -1.277 18277 7998 1 10 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.520 0.070 18277 7999 1 10 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.712 -1.936 18277 8000 1 10 . 1 1 61 61 SER N N 60 116.530 116.530 113.878 2.652 18277 8001 1 10 . 1 1 61 61 SER HA H 60 4.899 4.899 4.751 0.148 18277 8002 1 10 . 1 1 61 61 SER CA C 60 57.691 57.691 55.933 1.758 18277 8003 1 10 . 1 1 61 61 SER CB C 60 66.483 66.483 64.658 1.825 18277 8004 1 10 . 1 1 61 61 SER H H 60 8.854 8.854 8.382 0.472 18277 8005 1 10 . 1 1 62 62 ILE HA H 61 5.704 5.704 5.175 0.529 18277 8006 1 10 . 1 1 62 62 ILE C C 61 176.160 176.160 173.824 2.336 18277 8007 1 10 . 1 1 62 62 ILE CA C 61 59.918 59.918 60.461 -0.543 18277 8008 1 10 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.664 0.125 18277 8009 1 10 . 1 1 63 63 LYS N N 62 123.794 123.794 127.572 -3.778 18277 8010 1 10 . 1 1 63 63 LYS HA H 62 5.694 5.694 5.068 0.626 18277 8011 1 10 . 1 1 63 63 LYS C C 62 174.598 174.598 174.317 0.281 18277 8012 1 10 . 1 1 63 63 LYS CA C 62 54.508 54.508 54.387 0.121 18277 8013 1 10 . 1 1 63 63 LYS CB C 62 35.703 35.703 36.247 -0.544 18277 8014 1 10 . 1 1 63 63 LYS H H 62 9.011 9.011 9.059 -0.048 18277 8015 1 10 . 1 1 64 64 PHE N N 63 116.267 116.267 120.942 -4.675 18277 8016 1 10 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.112 1.201 18277 8017 1 10 . 1 1 64 64 PHE C C 63 173.139 173.139 173.482 -0.343 18277 8018 1 10 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.827 0.766 18277 8019 1 10 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.511 0.430 18277 8020 1 10 . 1 1 64 64 PHE H H 63 9.776 9.776 7.671 2.105 18277 8021 1 10 . 1 1 65 65 ARG N N 64 116.428 116.428 120.019 -3.591 18277 8022 1 10 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.909 -0.128 18277 8023 1 10 . 1 1 65 65 ARG C C 64 173.867 173.867 175.413 -1.546 18277 8024 1 10 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.740 1.017 18277 8025 1 10 . 1 1 65 65 ARG CB C 64 35.068 35.068 31.925 3.143 18277 8026 1 10 . 1 1 65 65 ARG H H 64 9.257 9.257 8.237 1.020 18277 8027 1 10 . 1 1 66 66 LEU N N 65 121.826 121.826 125.189 -3.363 18277 8028 1 10 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.150 1.299 18277 8029 1 10 . 1 1 66 66 LEU C C 65 174.002 174.002 176.636 -2.634 18277 8030 1 10 . 1 1 66 66 LEU CA C 65 53.826 53.826 56.312 -2.486 18277 8031 1 10 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.472 4.200 18277 8032 1 10 . 1 1 66 66 LEU H H 65 9.041 9.041 9.033 0.008 18277 8033 1 10 . 1 1 67 67 TRP N N 66 120.671 120.671 122.924 -2.253 18277 8034 1 10 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.115 0.208 18277 8035 1 10 . 1 1 67 67 TRP C C 66 175.763 175.763 175.726 0.037 18277 8036 1 10 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.275 -1.193 18277 8037 1 10 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.362 -0.191 18277 8038 1 10 . 1 1 67 67 TRP H H 66 9.366 9.366 8.911 0.455 18277 8039 1 10 . 1 1 68 68 SER N N 67 117.273 117.273 116.744 0.529 18277 8040 1 10 . 1 1 68 68 SER HA H 67 5.297 5.297 4.856 0.441 18277 8041 1 10 . 1 1 68 68 SER C C 67 174.327 174.327 174.320 0.007 18277 8042 1 10 . 1 1 68 68 SER CA C 67 56.883 56.883 57.371 -0.488 18277 8043 1 10 . 1 1 68 68 SER CB C 67 65.230 65.230 63.939 1.291 18277 8044 1 10 . 1 1 68 68 SER H H 67 9.750 9.750 9.373 0.377 18277 8045 1 10 . 1 1 69 69 LEU N N 68 126.002 126.002 130.244 -4.242 18277 8046 1 10 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.517 0.241 18277 8047 1 10 . 1 1 69 69 LEU C C 68 176.022 176.022 176.440 -0.418 18277 8048 1 10 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.842 -1.463 18277 8049 1 10 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.455 0.916 18277 8050 1 10 . 1 1 69 69 LEU H H 68 8.119 8.119 8.187 -0.068 18277 8051 1 10 . 1 1 70 70 ASP N N 69 124.828 124.828 125.801 -0.973 18277 8052 1 10 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.929 -0.148 18277 8053 1 10 . 1 1 70 70 ASP C C 69 176.396 176.396 175.893 0.503 18277 8054 1 10 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.357 1.026 18277 8055 1 10 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.732 -0.740 18277 8056 1 10 . 1 1 70 70 ASP H H 69 8.572 8.572 8.261 0.311 18277 8057 1 10 . 1 1 71 71 THR N N 70 114.913 114.913 114.314 0.599 18277 8058 1 10 . 1 1 71 71 THR HA H 70 4.531 4.531 4.523 0.008 18277 8059 1 10 . 1 1 71 71 THR C C 70 174.451 174.451 175.003 -0.552 18277 8060 1 10 . 1 1 71 71 THR CA C 70 61.742 61.742 61.247 0.495 18277 8061 1 10 . 1 1 71 71 THR CB C 70 69.950 69.950 68.786 1.164 18277 8062 1 10 . 1 1 71 71 THR H H 70 8.403 8.403 8.493 -0.090 18277 8063 1 10 . 1 1 72 72 GLU N N 71 123.605 123.605 122.126 1.479 18277 8064 1 10 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.074 0.167 18277 8065 1 10 . 1 1 72 72 GLU C C 71 176.451 176.451 177.187 -0.736 18277 8066 1 10 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.925 -1.718 18277 8067 1 10 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.599 0.811 18277 8068 1 10 . 1 1 72 72 GLU H H 71 8.542 8.542 8.525 0.017 18277 8069 1 10 . 1 1 73 73 GLU N N 72 119.641 119.641 116.665 2.976 18277 8070 1 10 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.418 -0.307 18277 8071 1 10 . 1 1 73 73 GLU C C 72 175.577 175.577 175.755 -0.178 18277 8072 1 10 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.082 1.015 18277 8073 1 10 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.463 -1.120 18277 8074 1 10 . 1 1 73 73 GLU H H 72 8.503 8.503 8.052 0.451 18277 8075 1 10 . 1 1 74 74 ASP N N 73 117.882 117.882 118.677 -0.795 18277 8076 1 10 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.449 0.122 18277 8077 1 10 . 1 1 74 74 ASP C C 73 176.077 176.077 175.207 0.870 18277 8078 1 10 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.027 -0.533 18277 8079 1 10 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.466 1.472 18277 8080 1 10 . 1 1 74 74 ASP H H 73 8.228 8.228 8.161 0.067 18277 8081 1 10 . 1 1 75 75 ILE N N 74 120.809 120.809 115.117 5.692 18277 8082 1 10 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.358 -0.149 18277 8083 1 10 . 1 1 75 75 ILE C C 74 175.939 175.939 175.694 0.245 18277 8084 1 10 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.619 0.707 18277 8085 1 10 . 1 1 75 75 ILE CB C 74 38.669 38.669 37.691 0.977 18277 8086 1 10 . 1 1 75 75 ILE H H 74 8.089 8.089 7.829 0.260 18277 8087 1 10 . 1 1 76 76 SER N N 75 119.402 119.402 115.802 3.600 18277 8088 1 10 . 1 1 76 76 SER HA H 75 4.652 4.652 4.212 0.440 18277 8089 1 10 . 1 1 76 76 SER C C 75 174.313 174.313 173.838 0.475 18277 8090 1 10 . 1 1 76 76 SER CA C 75 58.778 58.778 58.461 0.317 18277 8091 1 10 . 1 1 76 76 SER CB C 75 63.860 63.860 62.657 1.204 18277 8092 1 10 . 1 1 76 76 SER H H 75 8.449 8.449 8.141 0.308 18277 8093 1 10 . 1 1 77 77 SER N N 76 118.644 118.644 115.056 3.588 18277 8094 1 10 . 1 1 77 77 SER HA H 76 4.588 4.588 4.493 0.095 18277 8095 1 10 . 1 1 77 77 SER C C 76 173.094 173.094 173.259 -0.165 18277 8096 1 10 . 1 1 77 77 SER CA C 76 57.772 57.772 58.281 -0.509 18277 8097 1 10 . 1 1 77 77 SER CB C 76 64.461 64.461 64.211 0.250 18277 8098 1 10 . 1 1 77 77 SER H H 76 8.280 8.280 7.724 0.556 18277 8099 1 10 . 1 1 78 78 LEU N N 77 123.896 123.896 114.451 9.445 18277 8100 1 10 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.206 -0.208 18277 8101 1 10 . 1 1 78 78 LEU C C 77 177.081 177.081 175.158 1.923 18277 8102 1 10 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.151 0.857 18277 8103 1 10 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.577 -1.556 18277 8104 1 10 . 1 1 78 78 LEU H H 77 7.981 7.981 8.301 -0.320 18277 8105 1 10 . 1 1 79 79 ARG N N 78 123.195 123.195 118.799 4.396 18277 8106 1 10 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.834 0.125 18277 8107 1 10 . 1 1 79 79 ARG C C 78 174.994 174.994 174.463 0.531 18277 8108 1 10 . 1 1 79 79 ARG CA C 78 54.664 54.664 54.457 0.207 18277 8109 1 10 . 1 1 79 79 ARG CB C 78 33.280 33.280 32.664 0.616 18277 8110 1 10 . 1 1 79 79 ARG H H 78 9.013 9.013 8.339 0.674 18277 8111 1 10 . 1 1 80 80 LEU N N 79 128.388 128.388 124.868 3.520 18277 8112 1 10 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.837 -0.059 18277 8113 1 10 . 1 1 80 80 LEU C C 79 177.216 177.216 175.956 1.260 18277 8114 1 10 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.481 0.568 18277 8115 1 10 . 1 1 80 80 LEU CB C 79 42.285 42.285 42.093 0.192 18277 8116 1 10 . 1 1 80 80 LEU H H 79 8.807 8.807 8.637 0.170 18277 8117 1 10 . 1 1 81 81 LEU N N 80 127.521 127.521 127.445 0.076 18277 8118 1 10 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.605 -0.042 18277 8119 1 10 . 1 1 81 81 LEU C C 80 176.354 176.354 176.158 0.196 18277 8120 1 10 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.214 -0.053 18277 8121 1 10 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.109 0.301 18277 8122 1 10 . 1 1 81 81 LEU H H 80 8.478 8.478 8.278 0.200 18277 8123 1 10 . 1 1 82 82 THR N N 81 121.108 121.108 114.061 7.047 18277 8124 1 10 . 1 1 82 82 THR HA H 81 4.391 4.391 4.615 -0.224 18277 8125 1 10 . 1 1 82 82 THR C C 81 173.678 173.678 174.019 -0.341 18277 8126 1 10 . 1 1 82 82 THR CA C 81 61.112 61.112 61.170 -0.058 18277 8127 1 10 . 1 1 82 82 THR CB C 81 68.941 68.941 69.348 -0.407 18277 8128 1 10 . 1 1 82 82 THR H H 81 8.735 8.735 8.081 0.654 18277 8129 1 10 . 1 1 83 83 LEU N N 82 125.276 125.276 124.717 0.559 18277 8130 1 10 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.984 -0.213 18277 8131 1 10 . 1 1 83 83 LEU C C 82 177.192 177.192 176.000 1.192 18277 8132 1 10 . 1 1 83 83 LEU CA C 82 53.414 53.414 52.920 0.494 18277 8133 1 10 . 1 1 83 83 LEU CB C 82 44.525 44.525 43.700 0.825 18277 8134 1 10 . 1 1 83 83 LEU H H 82 7.985 7.985 8.342 -0.357 18277 8135 1 10 . 1 1 84 84 SER N N 83 118.590 118.590 116.453 2.137 18277 8136 1 10 . 1 1 84 84 SER HA H 83 4.591 4.591 4.511 0.080 18277 8137 1 10 . 1 1 84 84 SER C C 83 174.317 174.317 175.141 -0.824 18277 8138 1 10 . 1 1 84 84 SER CA C 83 57.202 57.202 58.320 -1.118 18277 8139 1 10 . 1 1 84 84 SER CB C 83 65.345 65.345 63.738 1.607 18277 8140 1 10 . 1 1 84 84 SER H H 83 9.214 9.214 8.451 0.763 18277 8141 1 10 . 1 1 85 85 ASP N N 84 121.149 121.149 121.875 -0.726 18277 8142 1 10 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.494 -0.151 18277 8143 1 10 . 1 1 85 85 ASP C C 84 178.027 178.027 178.444 -0.417 18277 8144 1 10 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.993 0.798 18277 8145 1 10 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.401 1.585 18277 8146 1 10 . 1 1 85 85 ASP H H 84 9.014 9.014 8.797 0.217 18277 8147 1 10 . 1 1 86 86 SER N N 85 111.874 111.874 114.468 -2.594 18277 8148 1 10 . 1 1 86 86 SER HA H 85 4.110 4.110 4.165 -0.055 18277 8149 1 10 . 1 1 86 86 SER C C 85 177.696 177.696 175.260 2.436 18277 8150 1 10 . 1 1 86 86 SER CA C 85 61.560 61.560 61.050 0.511 18277 8151 1 10 . 1 1 86 86 SER CB C 85 62.355 62.355 62.930 -0.575 18277 8152 1 10 . 1 1 86 86 SER H H 85 8.467 8.467 8.419 0.048 18277 8153 1 10 . 1 1 87 87 GLU N N 86 122.948 122.948 117.960 4.988 18277 8154 1 10 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.267 -0.190 18277 8155 1 10 . 1 1 87 87 GLU C C 86 180.335 180.335 178.640 1.695 18277 8156 1 10 . 1 1 87 87 GLU CA C 86 59.036 59.036 57.196 1.841 18277 8157 1 10 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.751 1.068 18277 8158 1 10 . 1 1 87 87 GLU H H 86 7.660 7.660 7.875 -0.215 18277 8159 1 10 . 1 1 88 88 LEU N N 87 122.341 122.341 123.309 -0.968 18277 8160 1 10 . 1 1 88 88 LEU HA H 87 3.883 3.883 3.926 -0.043 18277 8161 1 10 . 1 1 88 88 LEU C C 87 178.818 178.818 178.308 0.510 18277 8162 1 10 . 1 1 88 88 LEU CA C 87 58.074 58.074 58.199 -0.125 18277 8163 1 10 . 1 1 88 88 LEU CB C 87 42.371 42.371 42.018 0.353 18277 8164 1 10 . 1 1 88 88 LEU H H 87 8.878 8.878 8.171 0.707 18277 8165 1 10 . 1 1 89 89 ARG N N 88 115.874 115.874 118.020 -2.146 18277 8166 1 10 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.112 0.014 18277 8167 1 10 . 1 1 89 89 ARG C C 88 176.552 176.552 178.227 -1.675 18277 8168 1 10 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.036 0.684 18277 8169 1 10 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.104 0.681 18277 8170 1 10 . 1 1 89 89 ARG H H 88 7.956 7.956 8.498 -0.542 18277 8171 1 10 . 1 1 90 90 SER N N 89 112.295 112.295 113.059 -0.764 18277 8172 1 10 . 1 1 90 90 SER HA H 89 4.565 4.565 4.266 0.298 18277 8173 1 10 . 1 1 90 90 SER C C 89 174.817 174.817 175.571 -0.754 18277 8174 1 10 . 1 1 90 90 SER CA C 89 60.043 60.043 60.868 -0.825 18277 8175 1 10 . 1 1 90 90 SER CB C 89 63.858 63.858 63.301 0.557 18277 8176 1 10 . 1 1 90 90 SER H H 89 7.481 7.481 7.739 -0.258 18277 8177 1 10 . 1 1 91 91 ILE N N 90 116.577 116.577 114.830 1.747 18277 8178 1 10 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.323 0.115 18277 8179 1 10 . 1 1 91 91 ILE C C 90 174.636 174.636 175.501 -0.865 18277 8180 1 10 . 1 1 91 91 ILE CA C 90 62.262 62.262 60.485 1.777 18277 8181 1 10 . 1 1 91 91 ILE CB C 90 40.609 40.609 39.118 1.491 18277 8182 1 10 . 1 1 91 91 ILE H H 90 7.372 7.372 7.919 -0.547 18277 8183 1 10 . 1 1 92 92 LEU N N 91 119.723 119.723 119.849 -0.126 18277 8184 1 10 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.504 0.137 18277 8185 1 10 . 1 1 92 92 LEU C C 91 175.178 175.178 176.235 -1.057 18277 8186 1 10 . 1 1 92 92 LEU CA C 91 52.813 52.813 53.981 -1.168 18277 8187 1 10 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.800 0.873 18277 8188 1 10 . 1 1 92 92 LEU H H 91 7.900 7.900 7.875 0.025 18277 8189 1 10 . 1 1 93 93 ASN N N 92 119.687 119.687 119.796 -0.109 18277 8190 1 10 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.884 0.099 18277 8191 1 10 . 1 1 93 93 ASN C C 92 174.978 174.978 174.825 0.153 18277 8192 1 10 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.080 -0.709 18277 8193 1 10 . 1 1 93 93 ASN CB C 92 37.731 37.731 38.973 -1.242 18277 8194 1 10 . 1 1 93 93 ASN H H 92 8.916 8.916 8.431 0.485 18277 8195 1 10 . 1 1 94 94 LEU N N 93 121.052 121.052 124.289 -3.237 18277 8196 1 10 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.383 -0.437 18277 8197 1 10 . 1 1 94 94 LEU C C 93 177.367 177.367 178.347 -0.980 18277 8198 1 10 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.215 0.836 18277 8199 1 10 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.006 0.766 18277 8200 1 10 . 1 1 94 94 LEU H H 93 8.172 8.172 8.670 -0.498 18277 8201 1 10 . 1 1 95 95 GLY N N 94 105.340 105.340 107.030 -1.690 18277 8202 1 10 . 1 1 95 95 GLY C C 94 176.133 176.133 175.902 0.231 18277 8203 1 10 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.047 0.302 18277 8204 1 10 . 1 1 95 95 GLY H H 94 8.281 8.281 8.107 0.174 18277 8205 1 10 . 1 1 96 96 THR N N 95 117.040 117.040 118.789 -1.749 18277 8206 1 10 . 1 1 96 96 THR HA H 95 4.242 4.242 4.343 -0.101 18277 8207 1 10 . 1 1 96 96 THR C C 95 175.349 175.349 174.665 0.684 18277 8208 1 10 . 1 1 96 96 THR CA C 95 61.859 61.859 61.930 -0.071 18277 8209 1 10 . 1 1 96 96 THR CB C 95 68.399 68.399 69.650 -1.251 18277 8210 1 10 . 1 1 96 96 THR H H 95 8.419 8.419 8.062 0.357 18277 8211 1 10 . 1 1 97 97 PHE N N 96 122.590 122.590 120.368 2.222 18277 8212 1 10 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.447 0.275 18277 8213 1 10 . 1 1 97 97 PHE C C 96 174.704 174.704 175.641 -0.937 18277 8214 1 10 . 1 1 97 97 PHE CA C 96 58.599 58.599 58.951 -0.352 18277 8215 1 10 . 1 1 97 97 PHE CB C 96 39.149 39.149 39.891 -0.742 18277 8216 1 10 . 1 1 97 97 PHE H H 96 8.517 8.517 8.146 0.371 18277 8217 1 10 . 1 1 98 98 SER N N 97 114.201 114.201 113.678 0.523 18277 8218 1 10 . 1 1 98 98 SER HA H 97 4.859 4.859 4.770 0.089 18277 8219 1 10 . 1 1 98 98 SER C C 97 173.002 173.002 172.547 0.455 18277 8220 1 10 . 1 1 98 98 SER CA C 97 57.346 57.346 57.778 -0.432 18277 8221 1 10 . 1 1 98 98 SER CB C 97 65.739 65.739 65.616 0.123 18277 8222 1 10 . 1 1 98 98 SER H H 97 9.129 9.129 8.545 0.584 18277 8223 1 10 . 1 1 99 99 VAL N N 98 120.191 120.191 119.834 0.357 18277 8224 1 10 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.692 0.827 18277 8225 1 10 . 1 1 99 99 VAL C C 98 175.574 175.574 175.088 0.486 18277 8226 1 10 . 1 1 99 99 VAL CA C 98 59.390 59.390 61.320 -1.930 18277 8227 1 10 . 1 1 99 99 VAL CB C 98 35.426 35.426 36.523 -1.097 18277 8228 1 10 . 1 1 99 99 VAL H H 98 8.655 8.655 8.656 -0.001 18277 8229 1 10 . 1 1 100 100 THR N N 99 120.623 120.623 120.051 0.572 18277 8230 1 10 . 1 1 100 100 THR HA H 99 4.729 4.729 4.677 0.052 18277 8231 1 10 . 1 1 100 100 THR C C 99 172.605 172.605 172.927 -0.322 18277 8232 1 10 . 1 1 100 100 THR CA C 99 61.114 61.114 61.837 -0.723 18277 8233 1 10 . 1 1 100 100 THR CB C 99 71.850 71.850 70.485 1.365 18277 8234 1 10 . 1 1 100 100 THR H H 99 8.997 8.997 8.722 0.275 18277 8235 1 10 . 1 1 101 101 LEU N N 100 127.613 127.613 130.043 -2.430 18277 8236 1 10 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.227 -0.278 18277 8237 1 10 . 1 1 101 101 LEU C C 100 176.666 176.666 175.863 0.803 18277 8238 1 10 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.989 0.700 18277 8239 1 10 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.152 0.014 18277 8240 1 10 . 1 1 101 101 LEU H H 100 8.766 8.766 8.689 0.077 18277 8241 1 10 . 1 1 102 102 SER N N 101 119.771 119.771 123.140 -3.369 18277 8242 1 10 . 1 1 102 102 SER HA H 101 4.749 4.749 4.893 -0.144 18277 8243 1 10 . 1 1 102 102 SER C C 101 173.477 173.477 173.351 0.126 18277 8244 1 10 . 1 1 102 102 SER CA C 101 57.514 57.514 56.839 0.675 18277 8245 1 10 . 1 1 102 102 SER CB C 101 65.024 65.024 64.887 0.137 18277 8246 1 10 . 1 1 102 102 SER H H 101 8.926 8.926 8.681 0.245 18277 8247 1 10 . 1 1 103 103 THR N N 102 117.853 117.853 122.394 -4.541 18277 8248 1 10 . 1 1 103 103 THR HA H 102 4.618 4.618 4.971 -0.353 18277 8249 1 10 . 1 1 103 103 THR C C 102 174.020 174.020 174.211 -0.191 18277 8250 1 10 . 1 1 103 103 THR CA C 102 61.991 61.991 61.607 0.384 18277 8251 1 10 . 1 1 103 103 THR CB C 102 69.972 69.972 70.955 -0.983 18277 8252 1 10 . 1 1 103 103 THR H H 102 8.409 8.409 8.590 -0.181 18277 8253 1 10 . 1 1 104 104 ASP N N 103 125.295 125.295 123.112 2.183 18277 8254 1 10 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.809 -0.101 18277 8255 1 10 . 1 1 104 104 ASP C C 103 176.908 176.908 178.732 -1.824 18277 8256 1 10 . 1 1 104 104 ASP CA C 103 53.559 53.559 52.849 0.710 18277 8257 1 10 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.681 -0.436 18277 8258 1 10 . 1 1 104 104 ASP H H 103 8.598 8.598 8.165 0.433 18277 8259 1 10 . 1 1 105 105 MET N N 104 122.470 122.470 117.847 4.623 18277 8260 1 10 . 1 1 105 105 MET HA H 104 4.270 4.270 4.395 -0.125 18277 8261 1 10 . 1 1 105 105 MET C C 104 177.354 177.354 175.915 1.439 18277 8262 1 10 . 1 1 105 105 MET CA C 104 57.300 57.300 57.685 -0.385 18277 8263 1 10 . 1 1 105 105 MET CB C 104 32.108 32.108 32.290 -0.182 18277 8264 1 10 . 1 1 105 105 MET H H 104 8.719 8.719 8.551 0.168 18277 8265 1 10 . 1 1 106 106 GLU N N 105 118.752 118.752 119.248 -0.496 18277 8266 1 10 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.378 -0.142 18277 8267 1 10 . 1 1 106 106 GLU C C 105 177.172 177.172 176.530 0.642 18277 8268 1 10 . 1 1 106 106 GLU CA C 105 57.729 57.729 55.858 1.871 18277 8269 1 10 . 1 1 106 106 GLU CB C 105 29.776 29.776 30.055 -0.279 18277 8270 1 10 . 1 1 106 106 GLU H H 105 8.306 8.306 7.893 0.413 18277 8271 1 10 . 1 1 107 107 MET N N 106 116.736 116.736 116.646 0.090 18277 8272 1 10 . 1 1 107 107 MET HA H 106 4.329 4.329 3.995 0.334 18277 8273 1 10 . 1 1 107 107 MET C C 106 176.319 176.319 175.364 0.955 18277 8274 1 10 . 1 1 107 107 MET CA C 106 55.514 55.514 56.778 -1.264 18277 8275 1 10 . 1 1 107 107 MET CB C 106 31.566 31.566 31.086 0.480 18277 8276 1 10 . 1 1 107 107 MET H H 106 8.206 8.206 7.842 0.364 18277 8277 1 10 . 1 1 108 108 LYS N N 107 117.661 117.661 116.998 0.663 18277 8278 1 10 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.267 -0.181 18277 8279 1 10 . 1 1 108 108 LYS C C 107 176.049 176.049 175.663 0.386 18277 8280 1 10 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.600 0.500 18277 8281 1 10 . 1 1 108 108 LYS CB C 107 30.890 30.890 33.032 -2.142 18277 8282 1 10 . 1 1 108 108 LYS H H 107 8.382 8.382 8.271 0.111 18277 8283 1 10 . 1 1 109 109 SER N N 108 113.019 113.019 116.106 -3.087 18277 8284 1 10 . 1 1 109 109 SER HA H 108 4.566 4.566 4.462 0.104 18277 8285 1 10 . 1 1 109 109 SER C C 108 172.969 172.969 172.129 0.840 18277 8286 1 10 . 1 1 109 109 SER CA C 108 56.997 56.997 57.677 -0.680 18277 8287 1 10 . 1 1 109 109 SER CB C 108 65.035 65.035 64.950 0.085 18277 8288 1 10 . 1 1 109 109 SER H H 108 7.892 7.892 7.669 0.223 18277 8289 1 10 . 1 1 110 110 VAL N N 109 121.915 121.915 123.081 -1.166 18277 8290 1 10 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.535 -0.133 18277 8291 1 10 . 1 1 110 110 VAL C C 109 174.706 174.706 173.936 0.770 18277 8292 1 10 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.753 1.221 18277 8293 1 10 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.329 -2.249 18277 8294 1 10 . 1 1 110 110 VAL H H 109 7.878 7.878 7.923 -0.045 18277 8295 1 10 . 1 1 111 111 TYR N N 110 122.247 122.247 121.613 0.634 18277 8296 1 10 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.551 -0.215 18277 8297 1 10 . 1 1 111 111 TYR C C 110 173.915 173.915 174.191 -0.276 18277 8298 1 10 . 1 1 111 111 TYR CA C 110 57.263 57.263 54.835 2.428 18277 8299 1 10 . 1 1 111 111 TYR CB C 110 43.222 43.222 40.535 2.687 18277 8300 1 10 . 1 1 111 111 TYR H H 110 8.317 8.317 8.076 0.241 18277 8301 1 10 . 1 1 112 112 TYR N N 111 117.096 117.096 118.433 -1.337 18277 8302 1 10 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.583 0.286 18277 8303 1 10 . 1 1 112 112 TYR C C 111 175.418 175.418 174.813 0.605 18277 8304 1 10 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.214 0.969 18277 8305 1 10 . 1 1 112 112 TYR CB C 111 38.681 38.681 37.097 1.584 18277 8306 1 10 . 1 1 112 112 TYR H H 111 8.690 8.690 8.655 0.035 18277 8307 1 10 . 1 1 113 113 TYR N N 112 120.208 120.208 122.762 -2.554 18277 8308 1 10 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.779 0.160 18277 8309 1 10 . 1 1 113 113 TYR C C 112 176.674 176.674 176.755 -0.081 18277 8310 1 10 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.317 -0.750 18277 8311 1 10 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.085 2.839 18277 8312 1 10 . 1 1 113 113 TYR H H 112 9.374 9.374 8.277 1.097 18277 8313 1 10 . 1 1 114 114 ILE N N 113 121.490 121.490 125.421 -3.931 18277 8314 1 10 . 1 1 114 114 ILE HA H 113 4.821 4.821 3.878 0.943 18277 8315 1 10 . 1 1 114 114 ILE C C 113 176.329 176.329 176.527 -0.198 18277 8316 1 10 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.877 -2.838 18277 8317 1 10 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.222 -1.257 18277 8318 1 10 . 1 1 114 114 ILE H H 113 8.076 8.076 8.898 -0.822 18277 8319 1 10 . 1 1 115 115 ASN N N 114 129.212 129.212 126.630 2.582 18277 8320 1 10 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.540 0.161 18277 8321 1 10 . 1 1 115 115 ASN C C 114 175.914 175.914 173.995 1.919 18277 8322 1 10 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.397 0.625 18277 8323 1 10 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.841 -0.292 18277 8324 1 10 . 1 1 115 115 ASN H H 114 8.959 8.959 8.615 0.344 18277 8325 1 10 . 1 1 116 116 ASN N N 115 121.613 121.613 121.375 0.238 18277 8326 1 10 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.161 -0.292 18277 8327 1 10 . 1 1 116 116 ASN C C 115 178.040 178.040 174.629 3.411 18277 8328 1 10 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.262 0.518 18277 8329 1 10 . 1 1 116 116 ASN CB C 115 39.096 39.096 40.191 -1.095 18277 8330 1 10 . 1 1 116 116 ASN H H 115 8.464 8.464 8.304 0.160 18277 8331 1 10 . 1 1 117 117 CYS N N 116 120.777 120.777 119.179 1.598 18277 8332 1 10 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.695 0.049 18277 8333 1 10 . 1 1 117 117 CYS C C 116 174.635 174.635 173.713 0.922 18277 8334 1 10 . 1 1 117 117 CYS CA C 116 60.087 60.087 58.053 2.034 18277 8335 1 10 . 1 1 117 117 CYS CB C 116 27.456 27.456 29.662 -2.206 18277 8336 1 10 . 1 1 117 117 CYS H H 116 8.256 8.256 8.206 0.050 18277 8337 1 10 . 1 1 118 118 ASP N N 117 119.926 119.926 123.423 -3.497 18277 8338 1 10 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.918 -0.019 18277 8339 1 10 . 1 1 118 118 ASP C C 117 176.225 176.225 175.531 0.694 18277 8340 1 10 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.695 -0.285 18277 8341 1 10 . 1 1 118 118 ASP CB C 117 40.174 40.174 40.206 -0.032 18277 8342 1 10 . 1 1 118 118 ASP H H 117 8.420 8.420 8.086 0.334 18277 8343 1 10 . 1 1 119 119 THR N N 118 116.185 116.185 116.287 -0.102 18277 8344 1 10 . 1 1 119 119 THR HA H 118 4.315 4.315 4.273 0.042 18277 8345 1 10 . 1 1 119 119 THR C C 118 175.349 175.349 175.514 -0.165 18277 8346 1 10 . 1 1 119 119 THR CA C 118 66.029 66.029 67.515 -1.486 18277 8347 1 10 . 1 1 119 119 THR CB C 118 69.654 69.654 69.578 0.076 18277 8348 1 10 . 1 1 119 119 THR H H 118 7.712 7.712 7.895 -0.183 18277 8349 1 10 . 1 1 120 120 ASP N N 119 120.938 120.938 121.797 -0.859 18277 8350 1 10 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.571 -0.038 18277 8351 1 10 . 1 1 120 120 ASP C C 119 177.991 177.991 177.536 0.455 18277 8352 1 10 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.150 -0.244 18277 8353 1 10 . 1 1 120 120 ASP CB C 119 40.937 40.937 39.937 1.000 18277 8354 1 10 . 1 1 120 120 ASP H H 119 8.730 8.730 8.790 -0.060 18277 8355 1 10 . 1 1 121 121 ALA N N 120 122.818 122.818 119.923 2.895 18277 8356 1 10 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.261 -0.083 18277 8357 1 10 . 1 1 121 121 ALA C C 120 178.787 178.787 178.385 0.402 18277 8358 1 10 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.645 0.246 18277 8359 1 10 . 1 1 121 121 ALA CB C 120 18.471 18.471 19.060 -0.589 18277 8360 1 10 . 1 1 121 121 ALA H H 120 8.033 8.033 8.291 -0.258 18277 8361 1 10 . 1 1 122 122 ASN N N 121 116.085 116.085 117.317 -1.232 18277 8362 1 10 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.644 -0.010 18277 8363 1 10 . 1 1 122 122 ASN C C 121 176.235 176.235 177.098 -0.863 18277 8364 1 10 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.840 -0.344 18277 8365 1 10 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.114 -0.225 18277 8366 1 10 . 1 1 122 122 ASN H H 121 8.128 8.128 8.015 0.113 18277 8367 1 10 . 1 1 123 123 VAL N N 122 117.803 117.803 118.694 -0.891 18277 8368 1 10 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.828 0.134 18277 8369 1 10 . 1 1 123 123 VAL C C 122 176.973 176.973 177.620 -0.647 18277 8370 1 10 . 1 1 123 123 VAL CA C 122 63.916 63.916 65.557 -1.641 18277 8371 1 10 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.042 0.853 18277 8372 1 10 . 1 1 123 123 VAL H H 122 8.262 8.262 8.369 -0.107 18277 8373 1 10 . 1 1 124 124 GLY N N 123 110.472 110.472 105.388 5.084 18277 8374 1 10 . 1 1 124 124 GLY C C 123 174.107 174.107 174.680 -0.573 18277 8375 1 10 . 1 1 124 124 GLY CA C 123 45.401 45.401 45.882 -0.481 18277 8376 1 10 . 1 1 124 124 GLY H H 123 8.172 8.172 7.940 0.232 18277 8377 1 10 . 1 1 125 125 SER N N 124 113.065 113.065 117.663 -4.598 18277 8378 1 10 . 1 1 125 125 SER HA H 124 4.529 4.529 4.314 0.215 18277 8379 1 10 . 1 1 125 125 SER C C 124 174.664 174.664 174.941 -0.277 18277 8380 1 10 . 1 1 125 125 SER CA C 124 58.981 58.981 59.030 -0.049 18277 8381 1 10 . 1 1 125 125 SER CB C 124 64.492 64.492 63.833 0.659 18277 8382 1 10 . 1 1 125 125 SER H H 124 8.139 8.139 8.184 -0.045 18277 8383 1 10 . 1 1 126 126 ASP N N 125 121.312 121.312 120.919 0.393 18277 8384 1 10 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.463 0.244 18277 8385 1 10 . 1 1 126 126 ASP C C 125 177.029 177.029 177.003 0.026 18277 8386 1 10 . 1 1 126 126 ASP CA C 125 54.232 54.232 54.860 -0.628 18277 8387 1 10 . 1 1 126 126 ASP CB C 125 40.878 40.878 41.340 -0.462 18277 8388 1 10 . 1 1 126 126 ASP H H 125 8.146 8.146 8.548 -0.402 18277 8389 1 10 . 1 1 127 127 VAL N N 126 123.444 123.444 118.299 5.145 18277 8390 1 10 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.803 0.023 18277 8391 1 10 . 1 1 127 127 VAL C C 126 177.304 177.304 177.418 -0.114 18277 8392 1 10 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.595 1.304 18277 8393 1 10 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.915 0.307 18277 8394 1 10 . 1 1 127 127 VAL H H 126 8.474 8.474 8.399 0.075 18277 8395 1 10 . 1 1 128 128 GLU N N 127 120.874 120.874 120.458 0.416 18277 8396 1 10 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.244 -0.311 18277 8397 1 10 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.712 -0.052 18277 8398 1 10 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.480 -0.400 18277 8399 1 10 . 1 1 128 128 GLU H H 127 8.504 8.504 8.635 -0.131 18277 8400 1 10 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.791 -0.042 18277 8401 1 10 . 1 1 129 129 HIS C C 128 174.898 174.898 175.010 -0.112 18277 8402 1 10 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.424 2.024 18277 8403 1 10 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.774 0.271 18277 8404 1 10 . 1 1 130 130 TYR N N 129 122.615 122.615 122.861 -0.246 18277 8405 1 10 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.400 -0.400 18277 8406 1 10 . 1 1 130 130 TYR C C 129 178.544 178.544 176.939 1.605 18277 8407 1 10 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.906 0.202 18277 8408 1 10 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.832 0.710 18277 8409 1 10 . 1 1 130 130 TYR H H 129 8.118 8.118 7.898 0.220 18277 8410 1 10 . 1 1 131 131 LEU N N 130 116.037 116.037 117.713 -1.676 18277 8411 1 10 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.227 0.122 18277 8412 1 10 . 1 1 131 131 LEU C C 130 179.368 179.368 179.284 0.084 18277 8413 1 10 . 1 1 131 131 LEU CA C 130 58.816 58.816 58.064 0.752 18277 8414 1 10 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.983 0.386 18277 8415 1 10 . 1 1 131 131 LEU H H 130 9.092 9.092 8.715 0.377 18277 8416 1 10 . 1 1 132 132 THR N N 131 113.629 113.629 109.054 4.575 18277 8417 1 10 . 1 1 132 132 THR HA H 131 4.007 4.007 4.153 -0.146 18277 8418 1 10 . 1 1 132 132 THR C C 131 177.255 177.255 176.280 0.975 18277 8419 1 10 . 1 1 132 132 THR CA C 131 66.505 66.505 65.140 1.365 18277 8420 1 10 . 1 1 132 132 THR CB C 131 68.052 68.052 68.803 -0.751 18277 8421 1 10 . 1 1 132 132 THR H H 131 8.129 8.129 7.729 0.400 18277 8422 1 10 . 1 1 133 133 ARG N N 132 124.720 124.720 121.792 2.928 18277 8423 1 10 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.110 0.006 18277 8424 1 10 . 1 1 133 133 ARG C C 132 178.921 178.921 177.187 1.734 18277 8425 1 10 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.370 1.667 18277 8426 1 10 . 1 1 133 133 ARG CB C 132 30.274 30.274 29.823 0.451 18277 8427 1 10 . 1 1 133 133 ARG H H 132 8.187 8.187 8.351 -0.164 18277 8428 1 10 . 1 1 134 134 TRP N N 133 120.307 120.307 118.968 1.339 18277 8429 1 10 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.435 -0.208 18277 8430 1 10 . 1 1 134 134 TRP C C 133 177.823 177.823 177.429 0.394 18277 8431 1 10 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.944 2.526 18277 8432 1 10 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.041 -1.286 18277 8433 1 10 . 1 1 134 134 TRP H H 133 9.167 9.167 8.123 1.044 18277 8434 1 10 . 1 1 135 135 ILE N N 134 117.595 117.595 120.781 -3.186 18277 8435 1 10 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.136 0.447 18277 8436 1 10 . 1 1 135 135 ILE C C 134 176.333 176.333 177.687 -1.354 18277 8437 1 10 . 1 1 135 135 ILE CA C 134 60.708 60.708 64.242 -3.534 18277 8438 1 10 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.251 -1.118 18277 8439 1 10 . 1 1 135 135 ILE H H 134 9.000 9.000 7.765 1.235 18277 8440 1 10 . 1 1 136 136 SER N N 135 116.548 116.548 113.755 2.793 18277 8441 1 10 . 1 1 136 136 SER HA H 135 3.931 3.931 4.114 -0.183 18277 8442 1 10 . 1 1 136 136 SER C C 135 174.339 174.339 175.824 -1.485 18277 8443 1 10 . 1 1 136 136 SER CA C 135 62.535 62.535 61.208 1.327 18277 8444 1 10 . 1 1 136 136 SER CB C 135 62.820 62.820 63.016 -0.196 18277 8445 1 10 . 1 1 136 136 SER H H 135 7.592 7.592 8.260 -0.668 18277 8446 1 10 . 1 1 137 137 LEU N N 136 119.693 119.693 119.776 -0.083 18277 8447 1 10 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.250 -0.053 18277 8448 1 10 . 1 1 137 137 LEU C C 136 178.376 178.376 177.552 0.824 18277 8449 1 10 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.800 0.316 18277 8450 1 10 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.629 0.359 18277 8451 1 10 . 1 1 137 137 LEU H H 136 7.247 7.247 7.507 -0.260 18277 8452 1 10 . 1 1 138 138 TYR N N 137 116.295 116.295 115.893 0.402 18277 8453 1 10 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.073 -0.429 18277 8454 1 10 . 1 1 138 138 TYR C C 137 178.142 178.142 177.453 0.689 18277 8455 1 10 . 1 1 138 138 TYR CA C 137 61.396 61.396 59.895 1.500 18277 8456 1 10 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.463 -0.556 18277 8457 1 10 . 1 1 138 138 TYR H H 137 8.057 8.057 7.895 0.162 18277 8458 1 10 . 1 1 139 139 ILE N N 138 117.755 117.755 121.673 -3.918 18277 8459 1 10 . 1 1 139 139 ILE HA H 138 3.818 3.818 4.053 -0.235 18277 8460 1 10 . 1 1 139 139 ILE C C 138 176.943 176.943 176.310 0.633 18277 8461 1 10 . 1 1 139 139 ILE CA C 138 61.684 61.684 60.687 0.997 18277 8462 1 10 . 1 1 139 139 ILE CB C 138 36.768 36.768 37.787 -1.019 18277 8463 1 10 . 1 1 139 139 ILE H H 138 8.371 8.371 8.483 -0.112 18277 8464 1 10 . 1 1 140 140 ARG N N 139 118.103 118.103 118.866 -0.763 18277 8465 1 10 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.392 -0.317 18277 8466 1 10 . 1 1 140 140 ARG C C 139 176.776 176.776 176.861 -0.085 18277 8467 1 10 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.447 -0.918 18277 8468 1 10 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.895 -0.054 18277 8469 1 10 . 1 1 140 140 ARG H H 139 6.762 6.762 7.914 -1.152 18277 8470 1 10 . 1 1 141 141 ILE N N 140 117.603 117.603 118.028 -0.425 18277 8471 1 10 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.971 -0.200 18277 8472 1 10 . 1 1 141 141 ILE C C 140 176.448 176.448 176.346 0.102 18277 8473 1 10 . 1 1 141 141 ILE CA C 140 63.370 63.370 62.643 0.727 18277 8474 1 10 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.972 0.847 18277 8475 1 10 . 1 1 141 141 ILE H H 140 7.056 7.056 7.076 -0.020 18277 8476 1 10 . 1 1 142 142 PHE N N 141 114.969 114.969 117.850 -2.881 18277 8477 1 10 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.672 -0.278 18277 8478 1 10 . 1 1 142 142 PHE C C 141 175.503 175.503 175.519 -0.016 18277 8479 1 10 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.615 -0.489 18277 8480 1 10 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.731 -1.293 18277 8481 1 10 . 1 1 142 142 PHE H H 141 7.287 7.287 7.837 -0.550 18277 8482 1 10 . 1 1 143 143 ASP N N 142 116.492 116.492 119.655 -3.163 18277 8483 1 10 . 1 1 143 143 ASP HA H 142 4.745 4.745 5.072 -0.327 18277 8484 1 10 . 1 1 143 143 ASP C C 142 175.131 175.131 175.326 -0.195 18277 8485 1 10 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.460 0.553 18277 8486 1 10 . 1 1 143 143 ASP CB C 142 42.996 42.996 43.255 -0.259 18277 8487 1 10 . 1 1 143 143 ASP H H 142 7.697 7.697 8.515 -0.818 18277 8488 1 10 . 1 1 144 144 LEU N N 143 126.435 126.435 126.421 0.014 18277 8489 1 10 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.483 -0.297 18277 8490 1 10 . 1 1 144 144 LEU C C 143 177.297 177.297 176.786 0.511 18277 8491 1 10 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.795 1.145 18277 8492 1 10 . 1 1 144 144 LEU CB C 143 42.609 42.609 42.233 0.376 18277 8493 1 10 . 1 1 144 144 LEU H H 143 8.790 8.790 8.472 0.318 18277 8494 1 10 . 1 1 145 145 ASN N N 144 114.711 114.711 117.033 -2.322 18277 8495 1 10 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.815 0.008 18277 8496 1 10 . 1 1 145 145 ASN C C 144 174.879 174.879 174.155 0.724 18277 8497 1 10 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.428 -0.277 18277 8498 1 10 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.218 -0.523 18277 8499 1 10 . 1 1 145 145 ASN H H 144 8.569 8.569 8.011 0.558 18277 8500 1 10 . 1 1 146 146 PHE N N 145 121.472 121.472 122.000 -0.528 18277 8501 1 10 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.273 0.236 18277 8502 1 10 . 1 1 146 146 PHE C C 145 173.397 173.397 174.508 -1.111 18277 8503 1 10 . 1 1 146 146 PHE CA C 145 57.895 57.895 58.253 -0.358 18277 8504 1 10 . 1 1 146 146 PHE CB C 145 38.987 38.987 37.826 1.161 18277 8505 1 10 . 1 1 146 146 PHE H H 145 7.214 7.214 7.951 -0.737 18277 8506 1 10 . 1 1 147 147 VAL N N 146 128.813 128.813 125.593 3.220 18277 8507 1 10 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.226 -0.154 18277 8508 1 10 . 1 1 147 147 VAL CA C 146 58.698 58.698 58.484 0.214 18277 8509 1 10 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.603 1.866 18277 8510 1 10 . 1 1 147 147 VAL H H 146 7.666 7.666 7.776 -0.110 18277 8511 1 11 . 1 1 2 2 MET N N 1 121.461 121.461 121.356 0.105 18277 8512 1 11 . 1 1 2 2 MET HA H 1 4.581 4.581 4.578 0.003 18277 8513 1 11 . 1 1 2 2 MET C C 1 175.184 175.184 175.289 -0.105 18277 8514 1 11 . 1 1 2 2 MET CA C 1 55.447 55.447 54.775 0.672 18277 8515 1 11 . 1 1 2 2 MET CB C 1 34.107 34.107 33.955 0.152 18277 8516 1 11 . 1 1 2 2 MET H H 1 8.431 8.431 8.741 -0.310 18277 8517 1 11 . 1 1 3 3 LEU N N 2 123.575 123.575 124.233 -0.658 18277 8518 1 11 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.156 0.314 18277 8519 1 11 . 1 1 3 3 LEU C C 2 176.479 176.479 176.027 0.452 18277 8520 1 11 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.539 -0.995 18277 8521 1 11 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.752 1.448 18277 8522 1 11 . 1 1 3 3 LEU H H 2 8.678 8.678 7.779 0.899 18277 8523 1 11 . 1 1 4 4 THR N N 3 119.326 119.326 117.287 2.039 18277 8524 1 11 . 1 1 4 4 THR HA H 3 4.398 4.398 4.678 -0.280 18277 8525 1 11 . 1 1 4 4 THR C C 3 173.920 173.920 175.616 -1.696 18277 8526 1 11 . 1 1 4 4 THR CA C 3 61.025 61.025 60.869 0.156 18277 8527 1 11 . 1 1 4 4 THR CB C 3 71.090 71.090 70.233 0.857 18277 8528 1 11 . 1 1 4 4 THR H H 3 8.541 8.541 7.565 0.976 18277 8529 1 11 . 1 1 5 5 LEU N N 4 122.107 122.107 119.503 2.604 18277 8530 1 11 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.672 -0.384 18277 8531 1 11 . 1 1 5 5 LEU CA C 4 59.092 59.092 57.837 1.254 18277 8532 1 11 . 1 1 5 5 LEU CB C 4 38.806 38.806 39.003 -0.197 18277 8533 1 11 . 1 1 5 5 LEU H H 4 8.777 8.777 8.431 0.346 18277 8534 1 11 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.369 -0.023 18277 8535 1 11 . 1 1 6 6 PRO C C 5 179.812 179.812 177.754 2.058 18277 8536 1 11 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.883 1.377 18277 8537 1 11 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.044 0.015 18277 8538 1 11 . 1 1 7 7 GLU N N 6 117.744 117.744 116.797 0.947 18277 8539 1 11 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.264 -0.238 18277 8540 1 11 . 1 1 7 7 GLU C C 6 178.359 178.359 177.180 1.179 18277 8541 1 11 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.150 0.953 18277 8542 1 11 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.237 0.033 18277 8543 1 11 . 1 1 7 7 GLU H H 6 7.088 7.088 7.787 -0.699 18277 8544 1 11 . 1 1 8 8 TYR N N 7 120.825 120.825 118.119 2.706 18277 8545 1 11 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.413 -0.518 18277 8546 1 11 . 1 1 8 8 TYR C C 7 176.641 176.641 176.668 -0.027 18277 8547 1 11 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.521 1.998 18277 8548 1 11 . 1 1 8 8 TYR CB C 7 37.727 37.727 38.779 -1.052 18277 8549 1 11 . 1 1 8 8 TYR H H 7 8.310 8.310 7.826 0.484 18277 8550 1 11 . 1 1 9 9 ASN N N 8 118.086 118.086 117.871 0.215 18277 8551 1 11 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.251 0.067 18277 8552 1 11 . 1 1 9 9 ASN C C 8 179.060 179.060 177.087 1.973 18277 8553 1 11 . 1 1 9 9 ASN CA C 8 55.774 55.774 54.741 1.033 18277 8554 1 11 . 1 1 9 9 ASN CB C 8 38.309 38.309 38.001 0.308 18277 8555 1 11 . 1 1 9 9 ASN H H 8 8.791 8.791 8.208 0.583 18277 8556 1 11 . 1 1 10 10 GLU N N 9 120.057 120.057 119.594 0.463 18277 8557 1 11 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.119 -0.006 18277 8558 1 11 . 1 1 10 10 GLU C C 9 177.853 177.853 177.034 0.819 18277 8559 1 11 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.763 -0.257 18277 8560 1 11 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.308 0.333 18277 8561 1 11 . 1 1 10 10 GLU H H 9 8.013 8.013 8.366 -0.353 18277 8562 1 11 . 1 1 11 11 GLN N N 10 116.468 116.468 116.951 -0.483 18277 8563 1 11 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.440 0.010 18277 8564 1 11 . 1 1 11 11 GLN C C 10 177.470 177.470 176.214 1.256 18277 8565 1 11 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.823 1.174 18277 8566 1 11 . 1 1 11 11 GLN CB C 10 30.725 30.725 28.551 2.174 18277 8567 1 11 . 1 1 11 11 GLN H H 10 7.488 7.488 7.568 -0.080 18277 8568 1 11 . 1 1 12 12 ILE N N 11 124.393 124.393 122.053 2.340 18277 8569 1 11 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.732 0.096 18277 8570 1 11 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.978 -2.472 18277 8571 1 11 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.480 -1.222 18277 8572 1 11 . 1 1 12 12 ILE H H 11 7.605 7.605 6.925 0.680 18277 8573 1 11 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.495 -0.258 18277 8574 1 11 . 1 1 13 13 PRO C C 12 179.113 179.113 176.663 2.450 18277 8575 1 11 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.150 2.276 18277 8576 1 11 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.969 0.108 18277 8577 1 11 . 1 1 14 14 ASN N N 13 115.499 115.499 117.172 -1.673 18277 8578 1 11 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.714 -0.122 18277 8579 1 11 . 1 1 14 14 ASN C C 13 178.208 178.208 177.033 1.175 18277 8580 1 11 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.141 1.650 18277 8581 1 11 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.688 -0.644 18277 8582 1 11 . 1 1 14 14 ASN H H 13 7.793 7.793 7.947 -0.154 18277 8583 1 11 . 1 1 15 15 VAL N N 14 121.205 121.205 121.613 -0.408 18277 8584 1 11 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.815 -0.115 18277 8585 1 11 . 1 1 15 15 VAL C C 14 176.999 176.999 177.373 -0.374 18277 8586 1 11 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.663 -0.119 18277 8587 1 11 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.727 -0.302 18277 8588 1 11 . 1 1 15 15 VAL H H 14 7.704 7.704 7.855 -0.151 18277 8589 1 11 . 1 1 16 16 ARG N N 15 121.067 121.067 119.340 1.727 18277 8590 1 11 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.097 -0.383 18277 8591 1 11 . 1 1 16 16 ARG C C 15 178.150 178.150 177.595 0.555 18277 8592 1 11 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.215 1.305 18277 8593 1 11 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.607 0.608 18277 8594 1 11 . 1 1 16 16 ARG H H 15 8.855 8.855 7.830 1.025 18277 8595 1 11 . 1 1 17 17 SER N N 16 112.741 112.741 114.701 -1.960 18277 8596 1 11 . 1 1 17 17 SER HA H 16 4.245 4.245 4.394 -0.149 18277 8597 1 11 . 1 1 17 17 SER C C 16 177.177 177.177 176.676 0.501 18277 8598 1 11 . 1 1 17 17 SER CA C 16 61.756 61.756 60.810 0.946 18277 8599 1 11 . 1 1 17 17 SER CB C 16 62.785 62.785 63.209 -0.424 18277 8600 1 11 . 1 1 17 17 SER H H 16 7.987 7.987 7.936 0.051 18277 8601 1 11 . 1 1 18 18 LEU N N 17 122.703 122.703 121.439 1.264 18277 8602 1 11 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.488 -0.231 18277 8603 1 11 . 1 1 18 18 LEU C C 17 179.350 179.350 178.580 0.770 18277 8604 1 11 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.262 1.222 18277 8605 1 11 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.279 1.196 18277 8606 1 11 . 1 1 18 18 LEU H H 17 7.728 7.728 7.721 0.007 18277 8607 1 11 . 1 1 19 19 LEU N N 18 116.536 116.536 121.171 -4.635 18277 8608 1 11 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.301 -0.070 18277 8609 1 11 . 1 1 19 19 LEU C C 18 178.556 178.556 178.768 -0.212 18277 8610 1 11 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.207 0.068 18277 8611 1 11 . 1 1 19 19 LEU CB C 18 41.716 41.716 40.264 1.452 18277 8612 1 11 . 1 1 19 19 LEU H H 18 8.367 8.367 8.660 -0.293 18277 8613 1 11 . 1 1 20 20 THR N N 19 111.172 111.172 110.576 0.596 18277 8614 1 11 . 1 1 20 20 THR HA H 19 4.072 4.072 4.207 -0.135 18277 8615 1 11 . 1 1 20 20 THR C C 19 175.433 175.433 175.870 -0.437 18277 8616 1 11 . 1 1 20 20 THR CA C 19 65.421 65.421 64.503 0.918 18277 8617 1 11 . 1 1 20 20 THR CB C 19 69.541 69.541 68.282 1.259 18277 8618 1 11 . 1 1 20 20 THR H H 19 7.926 7.926 7.682 0.244 18277 8619 1 11 . 1 1 21 21 LYS N N 20 117.696 117.696 118.756 -1.060 18277 8620 1 11 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.426 -0.075 18277 8621 1 11 . 1 1 21 21 LYS C C 20 176.229 176.229 177.114 -0.885 18277 8622 1 11 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.224 0.290 18277 8623 1 11 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.467 -0.118 18277 8624 1 11 . 1 1 21 21 LYS H H 20 7.350 7.350 8.299 -0.949 18277 8625 1 11 . 1 1 22 22 TRP N N 21 123.258 123.258 123.226 0.032 18277 8626 1 11 . 1 1 22 22 TRP HA H 21 4.768 4.768 4.680 0.088 18277 8627 1 11 . 1 1 22 22 TRP C C 21 177.333 177.333 176.167 1.166 18277 8628 1 11 . 1 1 22 22 TRP CA C 21 54.466 54.466 57.613 -3.147 18277 8629 1 11 . 1 1 22 22 TRP CB C 21 28.882 28.882 29.177 -0.295 18277 8630 1 11 . 1 1 22 22 TRP H H 21 7.710 7.710 8.039 -0.329 18277 8631 1 11 . 1 1 23 23 ALA N N 22 133.336 133.336 127.786 5.550 18277 8632 1 11 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.347 -0.201 18277 8633 1 11 . 1 1 23 23 ALA C C 22 177.467 177.467 177.445 0.022 18277 8634 1 11 . 1 1 23 23 ALA CA C 22 54.855 54.855 52.590 2.265 18277 8635 1 11 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.248 -0.284 18277 8636 1 11 . 1 1 23 23 ALA H H 22 9.658 9.658 8.561 1.097 18277 8637 1 11 . 1 1 24 24 LYS N N 23 111.352 111.352 117.424 -6.072 18277 8638 1 11 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.036 -0.036 18277 8639 1 11 . 1 1 24 24 LYS C C 23 175.467 175.467 175.673 -0.206 18277 8640 1 11 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.340 -0.818 18277 8641 1 11 . 1 1 24 24 LYS CB C 23 33.306 33.306 31.986 1.320 18277 8642 1 11 . 1 1 24 24 LYS H H 23 5.756 5.756 7.766 -2.010 18277 8643 1 11 . 1 1 25 25 VAL N N 24 119.937 119.937 117.437 2.500 18277 8644 1 11 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.544 -0.166 18277 8645 1 11 . 1 1 25 25 VAL C C 24 175.634 175.634 175.432 0.202 18277 8646 1 11 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.645 0.818 18277 8647 1 11 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.053 0.968 18277 8648 1 11 . 1 1 25 25 VAL H H 24 7.179 7.179 7.209 -0.030 18277 8649 1 11 . 1 1 26 26 GLU N N 25 127.218 127.218 128.147 -0.929 18277 8650 1 11 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.338 0.070 18277 8651 1 11 . 1 1 26 26 GLU C C 25 176.448 176.448 176.100 0.348 18277 8652 1 11 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.489 0.487 18277 8653 1 11 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.866 -0.460 18277 8654 1 11 . 1 1 26 26 GLU H H 25 9.017 9.017 8.828 0.189 18277 8655 1 11 . 1 1 27 27 ARG N N 26 117.397 117.397 119.852 -2.455 18277 8656 1 11 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.588 -0.061 18277 8657 1 11 . 1 1 27 27 ARG C C 26 173.508 173.508 174.180 -0.672 18277 8658 1 11 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.801 1.415 18277 8659 1 11 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.930 1.033 18277 8660 1 11 . 1 1 27 27 ARG H H 26 7.521 7.521 7.589 -0.068 18277 8661 1 11 . 1 1 28 28 ILE N N 27 123.297 123.297 124.343 -1.046 18277 8662 1 11 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.337 0.344 18277 8663 1 11 . 1 1 28 28 ILE C C 27 173.872 173.872 174.192 -0.320 18277 8664 1 11 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.520 0.570 18277 8665 1 11 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.599 2.086 18277 8666 1 11 . 1 1 28 28 ILE H H 27 8.662 8.662 8.493 0.169 18277 8667 1 11 . 1 1 29 29 GLN N N 28 125.810 125.810 126.830 -1.020 18277 8668 1 11 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.699 0.053 18277 8669 1 11 . 1 1 29 29 GLN C C 28 174.329 174.329 174.184 0.145 18277 8670 1 11 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.076 -0.007 18277 8671 1 11 . 1 1 29 29 GLN CB C 28 32.942 32.942 32.767 0.175 18277 8672 1 11 . 1 1 29 29 GLN H H 28 9.282 9.282 8.439 0.843 18277 8673 1 11 . 1 1 30 30 ASP N N 29 125.001 125.001 122.030 2.971 18277 8674 1 11 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.778 0.108 18277 8675 1 11 . 1 1 30 30 ASP C C 29 175.522 175.522 174.861 0.661 18277 8676 1 11 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.697 2.759 18277 8677 1 11 . 1 1 30 30 ASP CB C 29 41.323 41.323 42.557 -1.234 18277 8678 1 11 . 1 1 30 30 ASP H H 29 8.666 8.666 8.382 0.284 18277 8679 1 11 . 1 1 31 31 VAL N N 30 116.978 116.978 112.295 4.683 18277 8680 1 11 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.596 0.048 18277 8681 1 11 . 1 1 31 31 VAL C C 30 175.448 175.448 175.472 -0.024 18277 8682 1 11 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.481 -0.303 18277 8683 1 11 . 1 1 31 31 VAL CB C 30 35.124 35.124 35.066 0.058 18277 8684 1 11 . 1 1 31 31 VAL H H 30 7.784 7.784 7.761 0.023 18277 8685 1 11 . 1 1 32 32 GLN N N 31 121.763 121.763 119.797 1.966 18277 8686 1 11 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.427 -0.394 18277 8687 1 11 . 1 1 32 32 GLN C C 31 176.620 176.620 175.046 1.574 18277 8688 1 11 . 1 1 32 32 GLN CA C 31 58.183 58.183 56.981 1.202 18277 8689 1 11 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.557 -0.515 18277 8690 1 11 . 1 1 32 32 GLN H H 31 8.515 8.515 8.694 -0.179 18277 8691 1 11 . 1 1 33 33 ASP N N 32 121.199 121.199 117.816 3.383 18277 8692 1 11 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.832 0.143 18277 8693 1 11 . 1 1 33 33 ASP C C 32 176.998 176.998 175.481 1.517 18277 8694 1 11 . 1 1 33 33 ASP CA C 32 55.528 55.528 53.925 1.603 18277 8695 1 11 . 1 1 33 33 ASP CB C 32 40.659 40.659 41.442 -0.783 18277 8696 1 11 . 1 1 33 33 ASP H H 32 9.134 9.134 8.076 1.058 18277 8697 1 11 . 1 1 34 34 GLY N N 33 106.691 106.691 107.309 -0.618 18277 8698 1 11 . 1 1 34 34 GLY C C 33 171.453 171.453 172.044 -0.591 18277 8699 1 11 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.519 1.846 18277 8700 1 11 . 1 1 34 34 GLY H H 33 8.104 8.104 7.702 0.402 18277 8701 1 11 . 1 1 35 35 LEU N N 34 119.801 119.801 121.241 -1.440 18277 8702 1 11 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.597 0.686 18277 8703 1 11 . 1 1 35 35 LEU C C 34 174.568 174.568 173.680 0.888 18277 8704 1 11 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.281 -1.713 18277 8705 1 11 . 1 1 35 35 LEU CB C 34 49.272 49.272 46.928 2.344 18277 8706 1 11 . 1 1 35 35 LEU H H 34 8.491 8.491 7.878 0.613 18277 8707 1 11 . 1 1 36 36 GLN N N 35 121.349 121.349 122.028 -0.679 18277 8708 1 11 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.347 -0.130 18277 8709 1 11 . 1 1 36 36 GLN C C 35 174.530 174.530 174.072 0.458 18277 8710 1 11 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.311 0.453 18277 8711 1 11 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.346 0.134 18277 8712 1 11 . 1 1 36 36 GLN H H 35 8.992 8.992 8.786 0.206 18277 8713 1 11 . 1 1 37 37 LEU N N 36 126.882 126.882 126.687 0.195 18277 8714 1 11 . 1 1 37 37 LEU HA H 36 5.358 5.358 4.873 0.485 18277 8715 1 11 . 1 1 37 37 LEU C C 36 174.519 174.519 176.022 -1.503 18277 8716 1 11 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.481 1.450 18277 8717 1 11 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.730 0.521 18277 8718 1 11 . 1 1 37 37 LEU H H 36 9.826 9.826 8.455 1.371 18277 8719 1 11 . 1 1 38 38 ASP N N 37 122.748 122.748 121.132 1.616 18277 8720 1 11 . 1 1 38 38 ASP HA H 37 5.449 5.449 5.016 0.433 18277 8721 1 11 . 1 1 38 38 ASP C C 37 175.197 175.197 175.186 0.011 18277 8722 1 11 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.385 -0.006 18277 8723 1 11 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.525 0.537 18277 8724 1 11 . 1 1 38 38 ASP H H 37 8.556 8.556 8.310 0.246 18277 8725 1 11 . 1 1 39 39 VAL N N 38 124.835 124.835 122.821 2.014 18277 8726 1 11 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.971 0.170 18277 8727 1 11 . 1 1 39 39 VAL C C 38 174.081 174.081 175.458 -1.377 18277 8728 1 11 . 1 1 39 39 VAL CA C 38 60.442 60.442 61.982 -1.540 18277 8729 1 11 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.639 1.954 18277 8730 1 11 . 1 1 39 39 VAL H H 38 9.495 9.495 8.354 1.141 18277 8731 1 11 . 1 1 40 40 ARG N N 39 131.221 131.221 126.205 5.016 18277 8732 1 11 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.677 -0.161 18277 8733 1 11 . 1 1 40 40 ARG C C 39 174.144 174.144 175.880 -1.736 18277 8734 1 11 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.537 -0.033 18277 8735 1 11 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.341 -0.222 18277 8736 1 11 . 1 1 40 40 ARG H H 39 9.046 9.046 8.213 0.833 18277 8737 1 11 . 1 1 41 41 LEU N N 40 129.501 129.501 121.637 7.864 18277 8738 1 11 . 1 1 41 41 LEU HA H 40 4.026 4.026 3.957 0.069 18277 8739 1 11 . 1 1 41 41 LEU C C 40 176.934 176.934 177.163 -0.229 18277 8740 1 11 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.358 0.505 18277 8741 1 11 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.278 1.470 18277 8742 1 11 . 1 1 41 41 LEU H H 40 7.786 7.786 8.275 -0.489 18277 8743 1 11 . 1 1 42 42 LYS N N 41 112.553 112.553 114.302 -1.749 18277 8744 1 11 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.455 0.239 18277 8745 1 11 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.179 -1.000 18277 8746 1 11 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.089 0.914 18277 8747 1 11 . 1 1 42 42 LYS H H 41 8.313 8.313 7.237 1.076 18277 8748 1 11 . 1 1 43 43 THR HA H 42 3.860 3.860 4.122 -0.262 18277 8749 1 11 . 1 1 43 43 THR C C 42 174.883 174.883 174.734 0.149 18277 8750 1 11 . 1 1 43 43 THR CA C 42 66.494 66.494 65.368 1.126 18277 8751 1 11 . 1 1 43 43 THR CB C 42 68.508 68.508 68.744 -0.236 18277 8752 1 11 . 1 1 44 44 ASP N N 43 114.795 114.795 118.207 -3.412 18277 8753 1 11 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.825 0.004 18277 8754 1 11 . 1 1 44 44 ASP C C 43 176.791 176.791 174.672 2.119 18277 8755 1 11 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.636 -0.715 18277 8756 1 11 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.678 0.392 18277 8757 1 11 . 1 1 44 44 ASP H H 43 7.759 7.759 8.150 -0.391 18277 8758 1 11 . 1 1 45 45 THR N N 44 115.323 115.323 116.028 -0.705 18277 8759 1 11 . 1 1 45 45 THR HA H 44 5.303 5.303 4.876 0.427 18277 8760 1 11 . 1 1 45 45 THR C C 44 171.480 171.480 173.080 -1.600 18277 8761 1 11 . 1 1 45 45 THR CA C 44 62.732 62.732 61.210 1.522 18277 8762 1 11 . 1 1 45 45 THR CB C 44 72.378 72.378 72.070 0.307 18277 8763 1 11 . 1 1 45 45 THR H H 44 7.551 7.551 8.088 -0.537 18277 8764 1 11 . 1 1 46 46 LEU N N 45 130.323 130.323 126.806 3.517 18277 8765 1 11 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.095 -0.141 18277 8766 1 11 . 1 1 46 46 LEU C C 45 174.048 174.048 173.944 0.104 18277 8767 1 11 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.184 0.173 18277 8768 1 11 . 1 1 46 46 LEU CB C 45 45.735 45.735 45.940 -0.205 18277 8769 1 11 . 1 1 46 46 LEU H H 45 9.590 9.590 8.559 1.031 18277 8770 1 11 . 1 1 47 47 LEU N N 46 127.468 127.468 127.409 0.059 18277 8771 1 11 . 1 1 47 47 LEU HA H 46 5.150 5.150 4.971 0.179 18277 8772 1 11 . 1 1 47 47 LEU C C 46 173.309 173.309 175.088 -1.779 18277 8773 1 11 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.453 0.134 18277 8774 1 11 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.165 1.957 18277 8775 1 11 . 1 1 47 47 LEU H H 46 9.673 9.673 9.184 0.489 18277 8776 1 11 . 1 1 48 48 GLU N N 47 131.371 131.371 128.280 3.091 18277 8777 1 11 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.541 0.681 18277 8778 1 11 . 1 1 48 48 GLU C C 47 173.970 173.970 174.668 -0.698 18277 8779 1 11 . 1 1 48 48 GLU CA C 47 54.673 54.673 55.834 -1.161 18277 8780 1 11 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.486 1.424 18277 8781 1 11 . 1 1 48 48 GLU H H 47 9.400 9.400 8.389 1.011 18277 8782 1 11 . 1 1 49 49 LEU N N 48 129.742 129.742 127.425 2.317 18277 8783 1 11 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.439 0.548 18277 8784 1 11 . 1 1 49 49 LEU C C 48 174.115 174.115 174.945 -0.830 18277 8785 1 11 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.154 0.519 18277 8786 1 11 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.421 1.217 18277 8787 1 11 . 1 1 49 49 LEU H H 48 9.433 9.433 8.253 1.180 18277 8788 1 11 . 1 1 50 50 HIS N N 49 126.356 126.356 123.795 2.561 18277 8789 1 11 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.439 -0.019 18277 8790 1 11 . 1 1 50 50 HIS C C 49 174.293 174.293 174.600 -0.307 18277 8791 1 11 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.495 2.131 18277 8792 1 11 . 1 1 50 50 HIS CB C 49 33.850 33.850 31.704 2.146 18277 8793 1 11 . 1 1 50 50 HIS H H 49 9.575 9.575 8.487 1.088 18277 8794 1 11 . 1 1 51 51 ILE N N 50 123.679 123.679 126.119 -2.440 18277 8795 1 11 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.549 0.697 18277 8796 1 11 . 1 1 51 51 ILE C C 50 175.021 175.021 174.303 0.718 18277 8797 1 11 . 1 1 51 51 ILE CA C 50 60.592 60.592 60.112 0.480 18277 8798 1 11 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.988 0.783 18277 8799 1 11 . 1 1 51 51 ILE H H 50 8.991 8.991 8.514 0.477 18277 8800 1 11 . 1 1 52 52 TYR N N 51 126.281 126.281 126.076 0.205 18277 8801 1 11 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.271 0.200 18277 8802 1 11 . 1 1 52 52 TYR C C 51 171.145 171.145 173.201 -2.056 18277 8803 1 11 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.789 -0.177 18277 8804 1 11 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.726 0.395 18277 8805 1 11 . 1 1 52 52 TYR H H 51 9.189 9.189 7.832 1.357 18277 8806 1 11 . 1 1 53 53 TYR N N 52 120.025 120.025 125.692 -5.667 18277 8807 1 11 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.251 -0.444 18277 8808 1 11 . 1 1 53 53 TYR C C 52 173.874 173.874 173.971 -0.097 18277 8809 1 11 . 1 1 53 53 TYR CA C 52 56.962 56.962 57.331 -0.369 18277 8810 1 11 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.512 0.032 18277 8811 1 11 . 1 1 53 53 TYR H H 52 7.985 7.985 8.616 -0.631 18277 8812 1 11 . 1 1 54 54 ASP N N 53 127.411 127.411 122.190 5.221 18277 8813 1 11 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.687 0.006 18277 8814 1 11 . 1 1 54 54 ASP C C 53 175.962 175.962 175.129 0.833 18277 8815 1 11 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.261 1.716 18277 8816 1 11 . 1 1 54 54 ASP CB C 53 43.028 43.028 43.694 -0.666 18277 8817 1 11 . 1 1 54 54 ASP H H 53 7.449 7.449 7.790 -0.341 18277 8818 1 11 . 1 1 55 55 HIS N N 54 124.486 124.486 122.028 2.458 18277 8819 1 11 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.353 -0.374 18277 8820 1 11 . 1 1 55 55 HIS C C 54 175.406 175.406 174.561 0.845 18277 8821 1 11 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.261 2.356 18277 8822 1 11 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.479 1.938 18277 8823 1 11 . 1 1 55 55 HIS H H 54 8.512 8.512 8.606 -0.094 18277 8824 1 11 . 1 1 56 56 VAL N N 55 120.625 120.625 119.863 0.762 18277 8825 1 11 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.782 -0.246 18277 8826 1 11 . 1 1 56 56 VAL C C 55 177.379 177.379 177.056 0.323 18277 8827 1 11 . 1 1 56 56 VAL CA C 55 65.174 65.174 64.397 0.777 18277 8828 1 11 . 1 1 56 56 VAL CB C 55 31.274 31.274 32.087 -0.813 18277 8829 1 11 . 1 1 56 56 VAL H H 55 8.397 8.397 7.705 0.692 18277 8830 1 11 . 1 1 57 57 TYR N N 56 115.771 115.771 115.256 0.515 18277 8831 1 11 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.477 -0.211 18277 8832 1 11 . 1 1 57 57 TYR C C 56 174.645 174.645 175.660 -1.015 18277 8833 1 11 . 1 1 57 57 TYR CA C 56 58.726 58.726 58.213 0.513 18277 8834 1 11 . 1 1 57 57 TYR CB C 56 39.566 39.566 38.919 0.647 18277 8835 1 11 . 1 1 57 57 TYR H H 56 7.641 7.641 8.010 -0.369 18277 8836 1 11 . 1 1 58 58 HIS N N 57 116.177 116.177 115.593 0.584 18277 8837 1 11 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.191 -0.444 18277 8838 1 11 . 1 1 58 58 HIS C C 57 172.860 172.860 173.641 -0.781 18277 8839 1 11 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.086 -0.438 18277 8840 1 11 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.337 -2.034 18277 8841 1 11 . 1 1 58 58 HIS H H 57 7.764 7.764 7.562 0.202 18277 8842 1 11 . 1 1 59 59 VAL N N 58 104.729 104.729 112.052 -7.323 18277 8843 1 11 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.419 0.281 18277 8844 1 11 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.401 -2.069 18277 8845 1 11 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.831 0.382 18277 8846 1 11 . 1 1 59 59 VAL H H 58 6.310 6.310 7.041 -0.731 18277 8847 1 11 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.236 0.109 18277 8848 1 11 . 1 1 60 60 PRO C C 59 174.254 174.254 175.252 -0.998 18277 8849 1 11 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.708 -0.118 18277 8850 1 11 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.173 -1.397 18277 8851 1 11 . 1 1 61 61 SER N N 60 116.530 116.530 114.841 1.689 18277 8852 1 11 . 1 1 61 61 SER HA H 60 4.899 4.899 4.654 0.245 18277 8853 1 11 . 1 1 61 61 SER CA C 60 57.691 57.691 56.449 1.242 18277 8854 1 11 . 1 1 61 61 SER CB C 60 66.483 66.483 66.466 0.017 18277 8855 1 11 . 1 1 61 61 SER H H 60 8.854 8.854 7.942 0.912 18277 8856 1 11 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.213 1.491 18277 8857 1 11 . 1 1 62 62 ILE C C 61 176.160 176.160 173.854 2.306 18277 8858 1 11 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.044 -1.126 18277 8859 1 11 . 1 1 62 62 ILE CB C 61 42.789 42.789 41.630 1.159 18277 8860 1 11 . 1 1 63 63 LYS N N 62 123.794 123.794 128.658 -4.864 18277 8861 1 11 . 1 1 63 63 LYS HA H 62 5.694 5.694 5.251 0.443 18277 8862 1 11 . 1 1 63 63 LYS C C 62 174.598 174.598 174.463 0.135 18277 8863 1 11 . 1 1 63 63 LYS CA C 62 54.508 54.508 54.632 -0.124 18277 8864 1 11 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.715 -0.012 18277 8865 1 11 . 1 1 63 63 LYS H H 62 9.011 9.011 8.151 0.860 18277 8866 1 11 . 1 1 64 64 PHE N N 63 116.267 116.267 122.207 -5.940 18277 8867 1 11 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.429 0.884 18277 8868 1 11 . 1 1 64 64 PHE C C 63 173.139 173.139 173.741 -0.602 18277 8869 1 11 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.565 1.028 18277 8870 1 11 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.855 0.086 18277 8871 1 11 . 1 1 64 64 PHE H H 63 9.776 9.776 8.140 1.636 18277 8872 1 11 . 1 1 65 65 ARG N N 64 116.428 116.428 120.773 -4.345 18277 8873 1 11 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.908 -0.127 18277 8874 1 11 . 1 1 65 65 ARG C C 64 173.867 173.867 174.948 -1.081 18277 8875 1 11 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.486 1.272 18277 8876 1 11 . 1 1 65 65 ARG CB C 64 35.068 35.068 32.494 2.574 18277 8877 1 11 . 1 1 65 65 ARG H H 64 9.257 9.257 8.386 0.871 18277 8878 1 11 . 1 1 66 66 LEU N N 65 121.826 121.826 124.650 -2.824 18277 8879 1 11 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.339 1.110 18277 8880 1 11 . 1 1 66 66 LEU C C 65 174.002 174.002 176.877 -2.875 18277 8881 1 11 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.747 -1.921 18277 8882 1 11 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.667 4.005 18277 8883 1 11 . 1 1 66 66 LEU H H 65 9.041 9.041 8.788 0.253 18277 8884 1 11 . 1 1 67 67 TRP N N 66 120.671 120.671 122.602 -1.931 18277 8885 1 11 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.141 0.182 18277 8886 1 11 . 1 1 67 67 TRP C C 66 175.763 175.763 175.272 0.491 18277 8887 1 11 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.631 -1.549 18277 8888 1 11 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.855 -0.684 18277 8889 1 11 . 1 1 67 67 TRP H H 66 9.366 9.366 8.629 0.737 18277 8890 1 11 . 1 1 68 68 SER N N 67 117.273 117.273 117.172 0.101 18277 8891 1 11 . 1 1 68 68 SER HA H 67 5.297 5.297 5.021 0.276 18277 8892 1 11 . 1 1 68 68 SER C C 67 174.327 174.327 174.384 -0.057 18277 8893 1 11 . 1 1 68 68 SER CA C 67 56.883 56.883 56.749 0.134 18277 8894 1 11 . 1 1 68 68 SER CB C 67 65.230 65.230 63.551 1.679 18277 8895 1 11 . 1 1 68 68 SER H H 67 9.750 9.750 9.353 0.397 18277 8896 1 11 . 1 1 69 69 LEU N N 68 126.002 126.002 130.314 -4.312 18277 8897 1 11 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.525 0.233 18277 8898 1 11 . 1 1 69 69 LEU C C 68 176.022 176.022 176.425 -0.403 18277 8899 1 11 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.770 -1.391 18277 8900 1 11 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.463 0.908 18277 8901 1 11 . 1 1 69 69 LEU H H 68 8.119 8.119 8.159 -0.040 18277 8902 1 11 . 1 1 70 70 ASP N N 69 124.828 124.828 125.038 -0.210 18277 8903 1 11 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.968 -0.187 18277 8904 1 11 . 1 1 70 70 ASP C C 69 176.396 176.396 175.778 0.618 18277 8905 1 11 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.555 0.828 18277 8906 1 11 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.821 -0.828 18277 8907 1 11 . 1 1 70 70 ASP H H 69 8.572 8.572 8.114 0.458 18277 8908 1 11 . 1 1 71 71 THR N N 70 114.913 114.913 114.016 0.897 18277 8909 1 11 . 1 1 71 71 THR HA H 70 4.531 4.531 4.551 -0.020 18277 8910 1 11 . 1 1 71 71 THR C C 70 174.451 174.451 175.249 -0.798 18277 8911 1 11 . 1 1 71 71 THR CA C 70 61.742 61.742 60.889 0.853 18277 8912 1 11 . 1 1 71 71 THR CB C 70 69.950 69.950 69.073 0.877 18277 8913 1 11 . 1 1 71 71 THR H H 70 8.403 8.403 8.420 -0.017 18277 8914 1 11 . 1 1 72 72 GLU N N 71 123.605 123.605 121.976 1.629 18277 8915 1 11 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.061 0.180 18277 8916 1 11 . 1 1 72 72 GLU C C 71 176.451 176.451 177.239 -0.788 18277 8917 1 11 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.866 -1.659 18277 8918 1 11 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.524 0.886 18277 8919 1 11 . 1 1 72 72 GLU H H 71 8.542 8.542 8.628 -0.086 18277 8920 1 11 . 1 1 73 73 GLU N N 72 119.641 119.641 117.143 2.498 18277 8921 1 11 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.415 -0.304 18277 8922 1 11 . 1 1 73 73 GLU C C 72 175.577 175.577 175.785 -0.208 18277 8923 1 11 . 1 1 73 73 GLU CA C 72 57.097 57.097 55.998 1.099 18277 8924 1 11 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.405 -1.062 18277 8925 1 11 . 1 1 73 73 GLU H H 72 8.503 8.503 8.096 0.407 18277 8926 1 11 . 1 1 74 74 ASP N N 73 117.882 117.882 118.241 -0.359 18277 8927 1 11 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.438 0.133 18277 8928 1 11 . 1 1 74 74 ASP C C 73 176.077 176.077 175.379 0.698 18277 8929 1 11 . 1 1 74 74 ASP CA C 73 54.494 54.494 54.795 -0.301 18277 8930 1 11 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.593 1.345 18277 8931 1 11 . 1 1 74 74 ASP H H 73 8.228 8.228 8.152 0.076 18277 8932 1 11 . 1 1 75 75 ILE N N 74 120.809 120.809 115.528 5.281 18277 8933 1 11 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.352 -0.143 18277 8934 1 11 . 1 1 75 75 ILE C C 74 175.939 175.939 176.070 -0.131 18277 8935 1 11 . 1 1 75 75 ILE CA C 74 61.326 61.326 61.163 0.163 18277 8936 1 11 . 1 1 75 75 ILE CB C 74 38.669 38.669 37.989 0.680 18277 8937 1 11 . 1 1 75 75 ILE H H 74 8.089 8.089 8.087 0.002 18277 8938 1 11 . 1 1 76 76 SER N N 75 119.402 119.402 116.322 3.080 18277 8939 1 11 . 1 1 76 76 SER HA H 75 4.652 4.652 4.282 0.370 18277 8940 1 11 . 1 1 76 76 SER C C 75 174.313 174.313 174.342 -0.029 18277 8941 1 11 . 1 1 76 76 SER CA C 75 58.778 58.778 58.443 0.335 18277 8942 1 11 . 1 1 76 76 SER CB C 75 63.860 63.860 62.669 1.191 18277 8943 1 11 . 1 1 76 76 SER H H 75 8.449 8.449 8.134 0.315 18277 8944 1 11 . 1 1 77 77 SER N N 76 118.644 118.644 115.506 3.138 18277 8945 1 11 . 1 1 77 77 SER HA H 76 4.588 4.588 4.536 0.052 18277 8946 1 11 . 1 1 77 77 SER C C 76 173.094 173.094 173.601 -0.507 18277 8947 1 11 . 1 1 77 77 SER CA C 76 57.772 57.772 58.273 -0.501 18277 8948 1 11 . 1 1 77 77 SER CB C 76 64.461 64.461 64.347 0.115 18277 8949 1 11 . 1 1 77 77 SER H H 76 8.280 8.280 7.873 0.407 18277 8950 1 11 . 1 1 78 78 LEU N N 77 123.896 123.896 114.730 9.166 18277 8951 1 11 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.063 -0.065 18277 8952 1 11 . 1 1 78 78 LEU C C 77 177.081 177.081 175.317 1.764 18277 8953 1 11 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.463 0.545 18277 8954 1 11 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.375 -1.354 18277 8955 1 11 . 1 1 78 78 LEU H H 77 7.981 7.981 8.161 -0.180 18277 8956 1 11 . 1 1 79 79 ARG N N 78 123.195 123.195 120.971 2.224 18277 8957 1 11 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.780 0.179 18277 8958 1 11 . 1 1 79 79 ARG C C 78 174.994 174.994 174.717 0.277 18277 8959 1 11 . 1 1 79 79 ARG CA C 78 54.664 54.664 54.990 -0.326 18277 8960 1 11 . 1 1 79 79 ARG CB C 78 33.280 33.280 32.660 0.619 18277 8961 1 11 . 1 1 79 79 ARG H H 78 9.013 9.013 8.068 0.945 18277 8962 1 11 . 1 1 80 80 LEU N N 79 128.388 128.388 127.059 1.329 18277 8963 1 11 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.871 -0.093 18277 8964 1 11 . 1 1 80 80 LEU C C 79 177.216 177.216 175.837 1.379 18277 8965 1 11 . 1 1 80 80 LEU CA C 79 56.049 56.049 56.026 0.023 18277 8966 1 11 . 1 1 80 80 LEU CB C 79 42.285 42.285 41.911 0.374 18277 8967 1 11 . 1 1 80 80 LEU H H 79 8.807 8.807 8.750 0.057 18277 8968 1 11 . 1 1 81 81 LEU N N 80 127.521 127.521 128.377 -0.856 18277 8969 1 11 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.642 -0.079 18277 8970 1 11 . 1 1 81 81 LEU C C 80 176.354 176.354 176.338 0.016 18277 8971 1 11 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.154 0.007 18277 8972 1 11 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.863 -0.453 18277 8973 1 11 . 1 1 81 81 LEU H H 80 8.478 8.478 8.248 0.230 18277 8974 1 11 . 1 1 82 82 THR N N 81 121.108 121.108 116.458 4.650 18277 8975 1 11 . 1 1 82 82 THR HA H 81 4.391 4.391 5.027 -0.636 18277 8976 1 11 . 1 1 82 82 THR C C 81 173.678 173.678 173.564 0.114 18277 8977 1 11 . 1 1 82 82 THR CA C 81 61.112 61.112 61.845 -0.733 18277 8978 1 11 . 1 1 82 82 THR CB C 81 68.941 68.941 69.357 -0.416 18277 8979 1 11 . 1 1 82 82 THR H H 81 8.735 8.735 8.082 0.653 18277 8980 1 11 . 1 1 83 83 LEU N N 82 125.276 125.276 124.316 0.960 18277 8981 1 11 . 1 1 83 83 LEU HA H 82 4.771 4.771 5.054 -0.283 18277 8982 1 11 . 1 1 83 83 LEU C C 82 177.192 177.192 175.686 1.506 18277 8983 1 11 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.459 -0.045 18277 8984 1 11 . 1 1 83 83 LEU CB C 82 44.525 44.525 44.320 0.205 18277 8985 1 11 . 1 1 83 83 LEU H H 82 7.985 7.985 8.330 -0.345 18277 8986 1 11 . 1 1 84 84 SER N N 83 118.590 118.590 115.891 2.699 18277 8987 1 11 . 1 1 84 84 SER HA H 83 4.591 4.591 4.356 0.235 18277 8988 1 11 . 1 1 84 84 SER C C 83 174.317 174.317 175.082 -0.765 18277 8989 1 11 . 1 1 84 84 SER CA C 83 57.202 57.202 59.093 -1.891 18277 8990 1 11 . 1 1 84 84 SER CB C 83 65.345 65.345 63.839 1.506 18277 8991 1 11 . 1 1 84 84 SER H H 83 9.214 9.214 8.525 0.689 18277 8992 1 11 . 1 1 85 85 ASP N N 84 121.149 121.149 120.865 0.284 18277 8993 1 11 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.574 -0.231 18277 8994 1 11 . 1 1 85 85 ASP C C 84 178.027 178.027 178.155 -0.128 18277 8995 1 11 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.341 1.450 18277 8996 1 11 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.441 1.545 18277 8997 1 11 . 1 1 85 85 ASP H H 84 9.014 9.014 8.768 0.246 18277 8998 1 11 . 1 1 86 86 SER N N 85 111.874 111.874 115.335 -3.461 18277 8999 1 11 . 1 1 86 86 SER HA H 85 4.110 4.110 4.330 -0.220 18277 9000 1 11 . 1 1 86 86 SER C C 85 177.696 177.696 176.285 1.411 18277 9001 1 11 . 1 1 86 86 SER CA C 85 61.560 61.560 61.303 0.257 18277 9002 1 11 . 1 1 86 86 SER CB C 85 62.355 62.355 62.965 -0.610 18277 9003 1 11 . 1 1 86 86 SER H H 85 8.467 8.467 8.366 0.101 18277 9004 1 11 . 1 1 87 87 GLU N N 86 122.948 122.948 119.156 3.792 18277 9005 1 11 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.201 -0.124 18277 9006 1 11 . 1 1 87 87 GLU C C 86 180.335 180.335 178.029 2.306 18277 9007 1 11 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.567 0.469 18277 9008 1 11 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.519 1.300 18277 9009 1 11 . 1 1 87 87 GLU H H 86 7.660 7.660 8.479 -0.819 18277 9010 1 11 . 1 1 88 88 LEU N N 87 122.341 122.341 120.588 1.753 18277 9011 1 11 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.269 -0.386 18277 9012 1 11 . 1 1 88 88 LEU C C 87 178.818 178.818 178.177 0.641 18277 9013 1 11 . 1 1 88 88 LEU CA C 87 58.074 58.074 56.851 1.223 18277 9014 1 11 . 1 1 88 88 LEU CB C 87 42.371 42.371 42.357 0.014 18277 9015 1 11 . 1 1 88 88 LEU H H 87 8.878 8.878 7.548 1.330 18277 9016 1 11 . 1 1 89 89 ARG N N 88 115.874 115.874 119.420 -3.546 18277 9017 1 11 . 1 1 89 89 ARG HA H 88 4.126 4.126 3.917 0.209 18277 9018 1 11 . 1 1 89 89 ARG C C 88 176.552 176.552 177.496 -0.944 18277 9019 1 11 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.579 0.141 18277 9020 1 11 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.577 0.208 18277 9021 1 11 . 1 1 89 89 ARG H H 88 7.956 7.956 8.296 -0.340 18277 9022 1 11 . 1 1 90 90 SER N N 89 112.295 112.295 113.389 -1.094 18277 9023 1 11 . 1 1 90 90 SER HA H 89 4.565 4.565 4.286 0.279 18277 9024 1 11 . 1 1 90 90 SER C C 89 174.817 174.817 175.502 -0.685 18277 9025 1 11 . 1 1 90 90 SER CA C 89 60.043 60.043 60.700 -0.657 18277 9026 1 11 . 1 1 90 90 SER CB C 89 63.858 63.858 63.115 0.743 18277 9027 1 11 . 1 1 90 90 SER H H 89 7.481 7.481 7.622 -0.141 18277 9028 1 11 . 1 1 91 91 ILE N N 90 116.577 116.577 113.510 3.067 18277 9029 1 11 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.289 0.149 18277 9030 1 11 . 1 1 91 91 ILE C C 90 174.636 174.636 175.516 -0.880 18277 9031 1 11 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.615 0.646 18277 9032 1 11 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.734 1.875 18277 9033 1 11 . 1 1 91 91 ILE H H 90 7.372 7.372 7.877 -0.505 18277 9034 1 11 . 1 1 92 92 LEU N N 91 119.723 119.723 119.539 0.184 18277 9035 1 11 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.357 0.284 18277 9036 1 11 . 1 1 92 92 LEU C C 91 175.178 175.178 176.397 -1.219 18277 9037 1 11 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.221 -1.408 18277 9038 1 11 . 1 1 92 92 LEU CB C 91 43.673 43.673 43.039 0.633 18277 9039 1 11 . 1 1 92 92 LEU H H 91 7.900 7.900 7.561 0.339 18277 9040 1 11 . 1 1 93 93 ASN N N 92 119.687 119.687 118.003 1.684 18277 9041 1 11 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.901 0.082 18277 9042 1 11 . 1 1 93 93 ASN C C 92 174.978 174.978 174.414 0.564 18277 9043 1 11 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.414 -1.043 18277 9044 1 11 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.586 -1.855 18277 9045 1 11 . 1 1 93 93 ASN H H 92 8.916 8.916 8.519 0.397 18277 9046 1 11 . 1 1 94 94 LEU N N 93 121.052 121.052 124.501 -3.449 18277 9047 1 11 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.460 -0.514 18277 9048 1 11 . 1 1 94 94 LEU C C 93 177.367 177.367 178.612 -1.245 18277 9049 1 11 . 1 1 94 94 LEU CA C 93 57.051 57.051 57.190 -0.139 18277 9050 1 11 . 1 1 94 94 LEU CB C 93 42.772 42.772 41.565 1.207 18277 9051 1 11 . 1 1 94 94 LEU H H 93 8.172 8.172 8.672 -0.500 18277 9052 1 11 . 1 1 95 95 GLY N N 94 105.340 105.340 107.161 -1.821 18277 9053 1 11 . 1 1 95 95 GLY C C 94 176.133 176.133 175.717 0.416 18277 9054 1 11 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.190 0.159 18277 9055 1 11 . 1 1 95 95 GLY H H 94 8.281 8.281 8.445 -0.164 18277 9056 1 11 . 1 1 96 96 THR N N 95 117.040 117.040 118.378 -1.338 18277 9057 1 11 . 1 1 96 96 THR HA H 95 4.242 4.242 4.460 -0.218 18277 9058 1 11 . 1 1 96 96 THR C C 95 175.349 175.349 175.565 -0.216 18277 9059 1 11 . 1 1 96 96 THR CA C 95 61.859 61.859 61.805 0.054 18277 9060 1 11 . 1 1 96 96 THR CB C 95 68.399 68.399 69.623 -1.224 18277 9061 1 11 . 1 1 96 96 THR H H 95 8.419 8.419 8.094 0.325 18277 9062 1 11 . 1 1 97 97 PHE N N 96 122.590 122.590 121.751 0.839 18277 9063 1 11 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.503 0.219 18277 9064 1 11 . 1 1 97 97 PHE C C 96 174.704 174.704 175.424 -0.720 18277 9065 1 11 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.301 -0.702 18277 9066 1 11 . 1 1 97 97 PHE CB C 96 39.149 39.149 40.094 -0.945 18277 9067 1 11 . 1 1 97 97 PHE H H 96 8.517 8.517 8.565 -0.048 18277 9068 1 11 . 1 1 98 98 SER N N 97 114.201 114.201 113.385 0.816 18277 9069 1 11 . 1 1 98 98 SER HA H 97 4.859 4.859 4.885 -0.026 18277 9070 1 11 . 1 1 98 98 SER C C 97 173.002 173.002 172.627 0.375 18277 9071 1 11 . 1 1 98 98 SER CA C 97 57.346 57.346 58.032 -0.686 18277 9072 1 11 . 1 1 98 98 SER CB C 97 65.739 65.739 66.096 -0.357 18277 9073 1 11 . 1 1 98 98 SER H H 97 9.129 9.129 8.618 0.511 18277 9074 1 11 . 1 1 99 99 VAL N N 98 120.191 120.191 119.122 1.069 18277 9075 1 11 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.454 1.065 18277 9076 1 11 . 1 1 99 99 VAL C C 98 175.574 175.574 174.266 1.308 18277 9077 1 11 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.731 -1.341 18277 9078 1 11 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.468 -0.042 18277 9079 1 11 . 1 1 99 99 VAL H H 98 8.655 8.655 8.483 0.172 18277 9080 1 11 . 1 1 100 100 THR N N 99 120.623 120.623 120.525 0.098 18277 9081 1 11 . 1 1 100 100 THR HA H 99 4.729 4.729 4.749 -0.020 18277 9082 1 11 . 1 1 100 100 THR C C 99 172.605 172.605 172.691 -0.086 18277 9083 1 11 . 1 1 100 100 THR CA C 99 61.114 61.114 61.214 -0.100 18277 9084 1 11 . 1 1 100 100 THR CB C 99 71.850 71.850 71.399 0.451 18277 9085 1 11 . 1 1 100 100 THR H H 99 8.997 8.997 8.826 0.171 18277 9086 1 11 . 1 1 101 101 LEU N N 100 127.613 127.613 129.026 -1.413 18277 9087 1 11 . 1 1 101 101 LEU HA H 100 4.949 4.949 4.486 0.463 18277 9088 1 11 . 1 1 101 101 LEU C C 100 176.666 176.666 175.536 1.130 18277 9089 1 11 . 1 1 101 101 LEU CA C 100 54.689 54.689 54.068 0.621 18277 9090 1 11 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.345 -0.179 18277 9091 1 11 . 1 1 101 101 LEU H H 100 8.766 8.766 8.700 0.066 18277 9092 1 11 . 1 1 102 102 SER N N 101 119.771 119.771 121.885 -2.114 18277 9093 1 11 . 1 1 102 102 SER HA H 101 4.749 4.749 4.909 -0.160 18277 9094 1 11 . 1 1 102 102 SER C C 101 173.477 173.477 172.875 0.602 18277 9095 1 11 . 1 1 102 102 SER CA C 101 57.514 57.514 56.718 0.796 18277 9096 1 11 . 1 1 102 102 SER CB C 101 65.024 65.024 65.465 -0.441 18277 9097 1 11 . 1 1 102 102 SER H H 101 8.926 8.926 9.050 -0.124 18277 9098 1 11 . 1 1 103 103 THR N N 102 117.853 117.853 120.349 -2.496 18277 9099 1 11 . 1 1 103 103 THR HA H 102 4.618 4.618 4.346 0.272 18277 9100 1 11 . 1 1 103 103 THR C C 102 174.020 174.020 173.132 0.888 18277 9101 1 11 . 1 1 103 103 THR CA C 102 61.991 61.991 61.402 0.589 18277 9102 1 11 . 1 1 103 103 THR CB C 102 69.972 69.972 71.702 -1.730 18277 9103 1 11 . 1 1 103 103 THR H H 102 8.409 8.409 8.535 -0.126 18277 9104 1 11 . 1 1 104 104 ASP N N 103 125.295 125.295 124.559 0.736 18277 9105 1 11 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.784 -0.076 18277 9106 1 11 . 1 1 104 104 ASP C C 103 176.908 176.908 177.820 -0.912 18277 9107 1 11 . 1 1 104 104 ASP CA C 103 53.559 53.559 53.668 -0.109 18277 9108 1 11 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.674 -0.429 18277 9109 1 11 . 1 1 104 104 ASP H H 103 8.598 8.598 8.049 0.549 18277 9110 1 11 . 1 1 105 105 MET N N 104 122.470 122.470 124.413 -1.943 18277 9111 1 11 . 1 1 105 105 MET HA H 104 4.270 4.270 4.284 -0.014 18277 9112 1 11 . 1 1 105 105 MET C C 104 177.354 177.354 176.896 0.458 18277 9113 1 11 . 1 1 105 105 MET CA C 104 57.300 57.300 57.668 -0.368 18277 9114 1 11 . 1 1 105 105 MET CB C 104 32.108 32.108 32.802 -0.694 18277 9115 1 11 . 1 1 105 105 MET H H 104 8.719 8.719 8.755 -0.036 18277 9116 1 11 . 1 1 106 106 GLU N N 105 118.752 118.752 117.319 1.433 18277 9117 1 11 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.229 0.007 18277 9118 1 11 . 1 1 106 106 GLU C C 105 177.172 177.172 176.339 0.833 18277 9119 1 11 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.475 1.254 18277 9120 1 11 . 1 1 106 106 GLU CB C 105 29.776 29.776 30.075 -0.299 18277 9121 1 11 . 1 1 106 106 GLU H H 105 8.306 8.306 7.863 0.443 18277 9122 1 11 . 1 1 107 107 MET N N 106 116.736 116.736 115.960 0.776 18277 9123 1 11 . 1 1 107 107 MET HA H 106 4.329 4.329 4.153 0.176 18277 9124 1 11 . 1 1 107 107 MET C C 106 176.319 176.319 175.902 0.417 18277 9125 1 11 . 1 1 107 107 MET CA C 106 55.514 55.514 56.520 -1.006 18277 9126 1 11 . 1 1 107 107 MET CB C 106 31.566 31.566 31.647 -0.081 18277 9127 1 11 . 1 1 107 107 MET H H 106 8.206 8.206 7.917 0.289 18277 9128 1 11 . 1 1 108 108 LYS N N 107 117.661 117.661 118.729 -1.068 18277 9129 1 11 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.259 -0.173 18277 9130 1 11 . 1 1 108 108 LYS C C 107 176.049 176.049 175.749 0.300 18277 9131 1 11 . 1 1 108 108 LYS CA C 107 57.100 57.100 57.352 -0.252 18277 9132 1 11 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.988 -2.098 18277 9133 1 11 . 1 1 108 108 LYS H H 107 8.382 8.382 8.072 0.310 18277 9134 1 11 . 1 1 109 109 SER N N 108 113.019 113.019 113.038 -0.019 18277 9135 1 11 . 1 1 109 109 SER HA H 108 4.566 4.566 4.681 -0.115 18277 9136 1 11 . 1 1 109 109 SER C C 108 172.969 172.969 172.479 0.490 18277 9137 1 11 . 1 1 109 109 SER CA C 108 56.997 56.997 56.659 0.338 18277 9138 1 11 . 1 1 109 109 SER CB C 108 65.035 65.035 65.463 -0.428 18277 9139 1 11 . 1 1 109 109 SER H H 108 7.892 7.892 7.390 0.502 18277 9140 1 11 . 1 1 110 110 VAL N N 109 121.915 121.915 119.305 2.610 18277 9141 1 11 . 1 1 110 110 VAL HA H 109 4.402 4.402 3.867 0.535 18277 9142 1 11 . 1 1 110 110 VAL C C 109 174.706 174.706 173.935 0.771 18277 9143 1 11 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.767 1.207 18277 9144 1 11 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.512 -2.432 18277 9145 1 11 . 1 1 110 110 VAL H H 109 7.878 7.878 8.097 -0.219 18277 9146 1 11 . 1 1 111 111 TYR N N 110 122.247 122.247 116.330 5.917 18277 9147 1 11 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.998 -0.662 18277 9148 1 11 . 1 1 111 111 TYR C C 110 173.915 173.915 172.707 1.208 18277 9149 1 11 . 1 1 111 111 TYR CA C 110 57.263 57.263 54.492 2.771 18277 9150 1 11 . 1 1 111 111 TYR CB C 110 43.222 43.222 39.482 3.740 18277 9151 1 11 . 1 1 111 111 TYR H H 110 8.317 8.317 8.432 -0.115 18277 9152 1 11 . 1 1 112 112 TYR N N 111 117.096 117.096 117.164 -0.068 18277 9153 1 11 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.716 0.153 18277 9154 1 11 . 1 1 112 112 TYR C C 111 175.418 175.418 174.628 0.790 18277 9155 1 11 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.569 0.613 18277 9156 1 11 . 1 1 112 112 TYR CB C 111 38.681 38.681 39.401 -0.720 18277 9157 1 11 . 1 1 112 112 TYR H H 111 8.690 8.690 8.719 -0.029 18277 9158 1 11 . 1 1 113 113 TYR N N 112 120.208 120.208 123.998 -3.790 18277 9159 1 11 . 1 1 113 113 TYR HA H 112 4.939 4.939 5.063 -0.124 18277 9160 1 11 . 1 1 113 113 TYR C C 112 176.674 176.674 176.098 0.576 18277 9161 1 11 . 1 1 113 113 TYR CA C 112 57.567 57.567 57.406 0.161 18277 9162 1 11 . 1 1 113 113 TYR CB C 112 39.924 39.924 38.429 1.495 18277 9163 1 11 . 1 1 113 113 TYR H H 112 9.374 9.374 9.457 -0.083 18277 9164 1 11 . 1 1 114 114 ILE N N 113 121.490 121.490 125.257 -3.767 18277 9165 1 11 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.075 0.746 18277 9166 1 11 . 1 1 114 114 ILE C C 113 176.329 176.329 175.843 0.486 18277 9167 1 11 . 1 1 114 114 ILE CA C 113 60.039 60.039 61.940 -1.901 18277 9168 1 11 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.614 -1.649 18277 9169 1 11 . 1 1 114 114 ILE H H 113 8.076 8.076 8.161 -0.085 18277 9170 1 11 . 1 1 115 115 ASN N N 114 129.212 129.212 125.794 3.418 18277 9171 1 11 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.583 0.118 18277 9172 1 11 . 1 1 115 115 ASN C C 114 175.914 175.914 174.628 1.286 18277 9173 1 11 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.459 0.563 18277 9174 1 11 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.684 -0.135 18277 9175 1 11 . 1 1 115 115 ASN H H 114 8.959 8.959 8.223 0.736 18277 9176 1 11 . 1 1 116 116 ASN N N 115 121.613 121.613 121.598 0.015 18277 9177 1 11 . 1 1 116 116 ASN HA H 115 4.869 4.869 4.996 -0.127 18277 9178 1 11 . 1 1 116 116 ASN C C 115 178.040 178.040 175.213 2.827 18277 9179 1 11 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.856 -0.076 18277 9180 1 11 . 1 1 116 116 ASN CB C 115 39.096 39.096 38.699 0.397 18277 9181 1 11 . 1 1 116 116 ASN H H 115 8.464 8.464 8.542 -0.078 18277 9182 1 11 . 1 1 117 117 CYS N N 116 120.777 120.777 117.064 3.713 18277 9183 1 11 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.868 -0.124 18277 9184 1 11 . 1 1 117 117 CYS C C 116 174.635 174.635 174.557 0.078 18277 9185 1 11 . 1 1 117 117 CYS CA C 116 60.087 60.087 59.414 0.673 18277 9186 1 11 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.759 -0.304 18277 9187 1 11 . 1 1 117 117 CYS H H 116 8.256 8.256 7.968 0.288 18277 9188 1 11 . 1 1 118 118 ASP N N 117 119.926 119.926 122.053 -2.127 18277 9189 1 11 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.892 0.007 18277 9190 1 11 . 1 1 118 118 ASP C C 117 176.225 176.225 176.280 -0.055 18277 9191 1 11 . 1 1 118 118 ASP CA C 117 53.410 53.410 54.353 -0.943 18277 9192 1 11 . 1 1 118 118 ASP CB C 117 40.174 40.174 39.239 0.935 18277 9193 1 11 . 1 1 118 118 ASP H H 117 8.420 8.420 8.385 0.035 18277 9194 1 11 . 1 1 119 119 THR N N 118 116.185 116.185 115.880 0.305 18277 9195 1 11 . 1 1 119 119 THR HA H 118 4.315 4.315 4.214 0.101 18277 9196 1 11 . 1 1 119 119 THR C C 118 175.349 175.349 175.661 -0.312 18277 9197 1 11 . 1 1 119 119 THR CA C 118 66.029 66.029 67.154 -1.125 18277 9198 1 11 . 1 1 119 119 THR CB C 118 69.654 69.654 69.540 0.114 18277 9199 1 11 . 1 1 119 119 THR H H 118 7.712 7.712 7.685 0.027 18277 9200 1 11 . 1 1 120 120 ASP N N 119 120.938 120.938 120.589 0.349 18277 9201 1 11 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.811 -0.278 18277 9202 1 11 . 1 1 120 120 ASP C C 119 177.991 177.991 177.100 0.891 18277 9203 1 11 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.015 -0.109 18277 9204 1 11 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.094 0.843 18277 9205 1 11 . 1 1 120 120 ASP H H 119 8.730 8.730 8.674 0.056 18277 9206 1 11 . 1 1 121 121 ALA N N 120 122.818 122.818 119.282 3.536 18277 9207 1 11 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.248 -0.070 18277 9208 1 11 . 1 1 121 121 ALA C C 120 178.787 178.787 178.543 0.244 18277 9209 1 11 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.954 -0.063 18277 9210 1 11 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.824 -0.353 18277 9211 1 11 . 1 1 121 121 ALA H H 120 8.033 8.033 8.431 -0.398 18277 9212 1 11 . 1 1 122 122 ASN N N 121 116.085 116.085 117.085 -1.000 18277 9213 1 11 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.718 -0.084 18277 9214 1 11 . 1 1 122 122 ASN C C 121 176.235 176.235 177.139 -0.904 18277 9215 1 11 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.385 0.111 18277 9216 1 11 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.139 -0.250 18277 9217 1 11 . 1 1 122 122 ASN H H 121 8.128 8.128 8.055 0.073 18277 9218 1 11 . 1 1 123 123 VAL N N 122 117.803 117.803 118.694 -0.891 18277 9219 1 11 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.804 0.158 18277 9220 1 11 . 1 1 123 123 VAL C C 122 176.973 176.973 176.287 0.686 18277 9221 1 11 . 1 1 123 123 VAL CA C 122 63.916 63.916 64.650 -0.734 18277 9222 1 11 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.340 0.555 18277 9223 1 11 . 1 1 123 123 VAL H H 122 8.262 8.262 8.367 -0.105 18277 9224 1 11 . 1 1 124 124 GLY N N 123 110.472 110.472 104.620 5.852 18277 9225 1 11 . 1 1 124 124 GLY C C 123 174.107 174.107 173.045 1.062 18277 9226 1 11 . 1 1 124 124 GLY CA C 123 45.401 45.401 44.543 0.858 18277 9227 1 11 . 1 1 124 124 GLY H H 123 8.172 8.172 7.406 0.766 18277 9228 1 11 . 1 1 125 125 SER N N 124 113.065 113.065 113.659 -0.594 18277 9229 1 11 . 1 1 125 125 SER HA H 124 4.529 4.529 4.865 -0.336 18277 9230 1 11 . 1 1 125 125 SER C C 124 174.664 174.664 174.136 0.528 18277 9231 1 11 . 1 1 125 125 SER CA C 124 58.981 58.981 57.966 1.015 18277 9232 1 11 . 1 1 125 125 SER CB C 124 64.492 64.492 64.734 -0.242 18277 9233 1 11 . 1 1 125 125 SER H H 124 8.139 8.139 8.559 -0.420 18277 9234 1 11 . 1 1 126 126 ASP N N 125 121.312 121.312 124.470 -3.158 18277 9235 1 11 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.639 0.068 18277 9236 1 11 . 1 1 126 126 ASP C C 125 177.029 177.029 176.739 0.290 18277 9237 1 11 . 1 1 126 126 ASP CA C 125 54.232 54.232 55.483 -1.251 18277 9238 1 11 . 1 1 126 126 ASP CB C 125 40.878 40.878 40.832 0.046 18277 9239 1 11 . 1 1 126 126 ASP H H 125 8.146 8.146 8.131 0.015 18277 9240 1 11 . 1 1 127 127 VAL N N 126 123.444 123.444 123.382 0.062 18277 9241 1 11 . 1 1 127 127 VAL HA H 126 3.826 3.826 4.139 -0.313 18277 9242 1 11 . 1 1 127 127 VAL C C 126 177.304 177.304 177.247 0.057 18277 9243 1 11 . 1 1 127 127 VAL CA C 126 65.899 65.899 63.892 2.007 18277 9244 1 11 . 1 1 127 127 VAL CB C 126 32.222 32.222 32.158 0.064 18277 9245 1 11 . 1 1 127 127 VAL H H 126 8.474 8.474 8.178 0.296 18277 9246 1 11 . 1 1 128 128 GLU N N 127 120.874 120.874 120.751 0.123 18277 9247 1 11 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.217 -0.284 18277 9248 1 11 . 1 1 128 128 GLU CA C 127 58.660 58.660 59.228 -0.568 18277 9249 1 11 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.334 -0.254 18277 9250 1 11 . 1 1 128 128 GLU H H 127 8.504 8.504 8.741 -0.237 18277 9251 1 11 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.954 -0.205 18277 9252 1 11 . 1 1 129 129 HIS C C 128 174.898 174.898 174.678 0.220 18277 9253 1 11 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.138 2.310 18277 9254 1 11 . 1 1 129 129 HIS CB C 128 29.045 29.045 30.023 -0.978 18277 9255 1 11 . 1 1 130 130 TYR N N 129 122.615 122.615 122.985 -0.370 18277 9256 1 11 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.343 -0.343 18277 9257 1 11 . 1 1 130 130 TYR C C 129 178.544 178.544 176.399 2.145 18277 9258 1 11 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.922 0.186 18277 9259 1 11 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.790 0.752 18277 9260 1 11 . 1 1 130 130 TYR H H 129 8.118 8.118 7.668 0.450 18277 9261 1 11 . 1 1 131 131 LEU N N 130 116.037 116.037 117.687 -1.650 18277 9262 1 11 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.400 -0.051 18277 9263 1 11 . 1 1 131 131 LEU C C 130 179.368 179.368 179.361 0.007 18277 9264 1 11 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.963 0.853 18277 9265 1 11 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.909 0.460 18277 9266 1 11 . 1 1 131 131 LEU H H 130 9.092 9.092 8.675 0.417 18277 9267 1 11 . 1 1 132 132 THR N N 131 113.629 113.629 108.901 4.728 18277 9268 1 11 . 1 1 132 132 THR HA H 131 4.007 4.007 4.254 -0.247 18277 9269 1 11 . 1 1 132 132 THR C C 131 177.255 177.255 176.428 0.827 18277 9270 1 11 . 1 1 132 132 THR CA C 131 66.505 66.505 65.227 1.278 18277 9271 1 11 . 1 1 132 132 THR CB C 131 68.052 68.052 68.820 -0.768 18277 9272 1 11 . 1 1 132 132 THR H H 131 8.129 8.129 8.097 0.032 18277 9273 1 11 . 1 1 133 133 ARG N N 132 124.720 124.720 121.143 3.577 18277 9274 1 11 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.247 -0.131 18277 9275 1 11 . 1 1 133 133 ARG C C 132 178.921 178.921 177.113 1.808 18277 9276 1 11 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.503 1.534 18277 9277 1 11 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.517 -0.243 18277 9278 1 11 . 1 1 133 133 ARG H H 132 8.187 8.187 8.347 -0.160 18277 9279 1 11 . 1 1 134 134 TRP N N 133 120.307 120.307 120.322 -0.015 18277 9280 1 11 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.472 -0.245 18277 9281 1 11 . 1 1 134 134 TRP C C 133 177.823 177.823 177.204 0.619 18277 9282 1 11 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.971 2.499 18277 9283 1 11 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.457 -1.702 18277 9284 1 11 . 1 1 134 134 TRP H H 133 9.167 9.167 8.235 0.932 18277 9285 1 11 . 1 1 135 135 ILE N N 134 117.595 117.595 120.719 -3.124 18277 9286 1 11 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.475 0.108 18277 9287 1 11 . 1 1 135 135 ILE C C 134 176.333 176.333 177.344 -1.011 18277 9288 1 11 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.636 -2.928 18277 9289 1 11 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.011 -0.879 18277 9290 1 11 . 1 1 135 135 ILE H H 134 9.000 9.000 7.868 1.132 18277 9291 1 11 . 1 1 136 136 SER N N 135 116.548 116.548 113.282 3.266 18277 9292 1 11 . 1 1 136 136 SER HA H 135 3.931 3.931 4.163 -0.232 18277 9293 1 11 . 1 1 136 136 SER C C 135 174.339 174.339 175.218 -0.879 18277 9294 1 11 . 1 1 136 136 SER CA C 135 62.535 62.535 60.266 2.269 18277 9295 1 11 . 1 1 136 136 SER CB C 135 62.820 62.820 62.691 0.129 18277 9296 1 11 . 1 1 136 136 SER H H 135 7.592 7.592 7.704 -0.112 18277 9297 1 11 . 1 1 137 137 LEU N N 136 119.693 119.693 119.927 -0.234 18277 9298 1 11 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.433 -0.236 18277 9299 1 11 . 1 1 137 137 LEU C C 136 178.376 178.376 177.320 1.056 18277 9300 1 11 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.847 0.269 18277 9301 1 11 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.755 0.233 18277 9302 1 11 . 1 1 137 137 LEU H H 136 7.247 7.247 7.554 -0.307 18277 9303 1 11 . 1 1 138 138 TYR N N 137 116.295 116.295 117.243 -0.948 18277 9304 1 11 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.047 -0.403 18277 9305 1 11 . 1 1 138 138 TYR C C 137 178.142 178.142 177.279 0.863 18277 9306 1 11 . 1 1 138 138 TYR CA C 137 61.396 61.396 58.287 3.109 18277 9307 1 11 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.188 -0.281 18277 9308 1 11 . 1 1 138 138 TYR H H 137 8.057 8.057 7.832 0.225 18277 9309 1 11 . 1 1 139 139 ILE N N 138 117.755 117.755 121.254 -3.499 18277 9310 1 11 . 1 1 139 139 ILE HA H 138 3.818 3.818 2.165 1.653 18277 9311 1 11 . 1 1 139 139 ILE C C 138 176.943 176.943 177.249 -0.306 18277 9312 1 11 . 1 1 139 139 ILE CA C 138 61.684 61.684 63.210 -1.526 18277 9313 1 11 . 1 1 139 139 ILE CB C 138 36.768 36.768 36.707 0.061 18277 9314 1 11 . 1 1 139 139 ILE H H 138 8.371 8.371 7.630 0.741 18277 9315 1 11 . 1 1 140 140 ARG N N 139 118.103 118.103 118.066 0.037 18277 9316 1 11 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.199 -0.124 18277 9317 1 11 . 1 1 140 140 ARG C C 139 176.776 176.776 177.907 -1.131 18277 9318 1 11 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.855 -1.326 18277 9319 1 11 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.840 0.001 18277 9320 1 11 . 1 1 140 140 ARG H H 139 6.762 6.762 7.837 -1.075 18277 9321 1 11 . 1 1 141 141 ILE N N 140 117.603 117.603 118.050 -0.447 18277 9322 1 11 . 1 1 141 141 ILE HA H 140 3.771 3.771 4.022 -0.251 18277 9323 1 11 . 1 1 141 141 ILE C C 140 176.448 176.448 176.671 -0.223 18277 9324 1 11 . 1 1 141 141 ILE CA C 140 63.370 63.370 64.080 -0.710 18277 9325 1 11 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.936 0.883 18277 9326 1 11 . 1 1 141 141 ILE H H 140 7.056 7.056 8.300 -1.244 18277 9327 1 11 . 1 1 142 142 PHE N N 141 114.969 114.969 116.309 -1.340 18277 9328 1 11 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.529 -0.135 18277 9329 1 11 . 1 1 142 142 PHE C C 141 175.503 175.503 174.939 0.564 18277 9330 1 11 . 1 1 142 142 PHE CA C 141 58.126 58.126 57.964 0.162 18277 9331 1 11 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.117 -0.679 18277 9332 1 11 . 1 1 142 142 PHE H H 141 7.287 7.287 7.938 -0.651 18277 9333 1 11 . 1 1 143 143 ASP N N 142 116.492 116.492 117.646 -1.154 18277 9334 1 11 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.844 -0.099 18277 9335 1 11 . 1 1 143 143 ASP C C 142 175.131 175.131 175.903 -0.772 18277 9336 1 11 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.496 0.517 18277 9337 1 11 . 1 1 143 143 ASP CB C 142 42.996 42.996 41.924 1.072 18277 9338 1 11 . 1 1 143 143 ASP H H 142 7.697 7.697 8.012 -0.315 18277 9339 1 11 . 1 1 144 144 LEU N N 143 126.435 126.435 122.539 3.896 18277 9340 1 11 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.221 -0.035 18277 9341 1 11 . 1 1 144 144 LEU C C 143 177.297 177.297 177.010 0.287 18277 9342 1 11 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.991 0.949 18277 9343 1 11 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.787 0.822 18277 9344 1 11 . 1 1 144 144 LEU H H 143 8.790 8.790 8.634 0.156 18277 9345 1 11 . 1 1 145 145 ASN N N 144 114.711 114.711 114.911 -0.200 18277 9346 1 11 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.682 0.141 18277 9347 1 11 . 1 1 145 145 ASN C C 144 174.879 174.879 174.462 0.417 18277 9348 1 11 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.160 -0.009 18277 9349 1 11 . 1 1 145 145 ASN CB C 144 39.695 39.695 39.350 0.345 18277 9350 1 11 . 1 1 145 145 ASN H H 144 8.569 8.569 7.976 0.593 18277 9351 1 11 . 1 1 146 146 PHE N N 145 121.472 121.472 122.570 -1.098 18277 9352 1 11 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.336 0.173 18277 9353 1 11 . 1 1 146 146 PHE C C 145 173.397 173.397 174.093 -0.696 18277 9354 1 11 . 1 1 146 146 PHE CA C 145 57.895 57.895 58.461 -0.566 18277 9355 1 11 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.703 0.284 18277 9356 1 11 . 1 1 146 146 PHE H H 145 7.214 7.214 7.861 -0.647 18277 9357 1 11 . 1 1 147 147 VAL N N 146 128.813 128.813 125.575 3.238 18277 9358 1 11 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.327 -0.255 18277 9359 1 11 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.294 1.404 18277 9360 1 11 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.301 2.168 18277 9361 1 11 . 1 1 147 147 VAL H H 146 7.666 7.666 7.709 -0.043 18277 9362 1 12 . 1 1 2 2 MET N N 1 121.461 121.461 120.518 0.943 18277 9363 1 12 . 1 1 2 2 MET HA H 1 4.581 4.581 4.655 -0.074 18277 9364 1 12 . 1 1 2 2 MET C C 1 175.184 175.184 176.040 -0.856 18277 9365 1 12 . 1 1 2 2 MET CA C 1 55.447 55.447 54.938 0.509 18277 9366 1 12 . 1 1 2 2 MET CB C 1 34.107 34.107 33.737 0.370 18277 9367 1 12 . 1 1 2 2 MET H H 1 8.431 8.431 8.374 0.057 18277 9368 1 12 . 1 1 3 3 LEU N N 2 123.575 123.575 124.641 -1.066 18277 9369 1 12 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.218 0.252 18277 9370 1 12 . 1 1 3 3 LEU C C 2 176.479 176.479 176.569 -0.090 18277 9371 1 12 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.636 -1.092 18277 9372 1 12 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.822 1.377 18277 9373 1 12 . 1 1 3 3 LEU H H 2 8.678 8.678 7.703 0.975 18277 9374 1 12 . 1 1 4 4 THR N N 3 119.326 119.326 117.876 1.450 18277 9375 1 12 . 1 1 4 4 THR HA H 3 4.398 4.398 4.737 -0.339 18277 9376 1 12 . 1 1 4 4 THR C C 3 173.920 173.920 176.010 -2.090 18277 9377 1 12 . 1 1 4 4 THR CA C 3 61.025 61.025 60.746 0.279 18277 9378 1 12 . 1 1 4 4 THR CB C 3 71.090 71.090 70.174 0.916 18277 9379 1 12 . 1 1 4 4 THR H H 3 8.541 8.541 7.901 0.640 18277 9380 1 12 . 1 1 5 5 LEU N N 4 122.107 122.107 120.708 1.399 18277 9381 1 12 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.877 -0.589 18277 9382 1 12 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.607 0.485 18277 9383 1 12 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.708 0.098 18277 9384 1 12 . 1 1 5 5 LEU H H 4 8.777 8.777 8.599 0.178 18277 9385 1 12 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.403 -0.057 18277 9386 1 12 . 1 1 6 6 PRO C C 5 179.812 179.812 177.683 2.129 18277 9387 1 12 . 1 1 6 6 PRO CA C 5 66.260 66.260 65.007 1.253 18277 9388 1 12 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.128 -0.069 18277 9389 1 12 . 1 1 7 7 GLU N N 6 117.744 117.744 116.940 0.804 18277 9390 1 12 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.293 -0.267 18277 9391 1 12 . 1 1 7 7 GLU C C 6 178.359 178.359 177.135 1.224 18277 9392 1 12 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.041 1.062 18277 9393 1 12 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.244 0.027 18277 9394 1 12 . 1 1 7 7 GLU H H 6 7.088 7.088 7.945 -0.857 18277 9395 1 12 . 1 1 8 8 TYR N N 7 120.825 120.825 118.566 2.259 18277 9396 1 12 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.471 -0.576 18277 9397 1 12 . 1 1 8 8 TYR C C 7 176.641 176.641 177.312 -0.671 18277 9398 1 12 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.901 1.618 18277 9399 1 12 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.295 -1.568 18277 9400 1 12 . 1 1 8 8 TYR H H 7 8.310 8.310 7.844 0.466 18277 9401 1 12 . 1 1 9 9 ASN N N 8 118.086 118.086 118.815 -0.729 18277 9402 1 12 . 1 1 9 9 ASN HA H 8 4.318 4.318 3.986 0.332 18277 9403 1 12 . 1 1 9 9 ASN C C 8 179.060 179.060 177.854 1.206 18277 9404 1 12 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.636 0.138 18277 9405 1 12 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.779 0.530 18277 9406 1 12 . 1 1 9 9 ASN H H 8 8.791 8.791 8.676 0.115 18277 9407 1 12 . 1 1 10 10 GLU N N 9 120.057 120.057 119.061 0.996 18277 9408 1 12 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.159 -0.046 18277 9409 1 12 . 1 1 10 10 GLU C C 9 177.853 177.853 176.888 0.965 18277 9410 1 12 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.569 -0.063 18277 9411 1 12 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.336 0.305 18277 9412 1 12 . 1 1 10 10 GLU H H 9 8.013 8.013 8.519 -0.506 18277 9413 1 12 . 1 1 11 11 GLN N N 10 116.468 116.468 116.533 -0.065 18277 9414 1 12 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.561 -0.111 18277 9415 1 12 . 1 1 11 11 GLN C C 10 177.470 177.470 176.067 1.403 18277 9416 1 12 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.029 1.968 18277 9417 1 12 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.308 1.417 18277 9418 1 12 . 1 1 11 11 GLN H H 10 7.488 7.488 7.662 -0.174 18277 9419 1 12 . 1 1 12 12 ILE N N 11 124.393 124.393 122.434 1.959 18277 9420 1 12 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.733 0.095 18277 9421 1 12 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.664 -2.158 18277 9422 1 12 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.504 -1.246 18277 9423 1 12 . 1 1 12 12 ILE H H 11 7.605 7.605 7.006 0.599 18277 9424 1 12 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.465 -0.228 18277 9425 1 12 . 1 1 13 13 PRO C C 12 179.113 179.113 176.608 2.505 18277 9426 1 12 . 1 1 13 13 PRO CA C 12 66.427 66.427 63.940 2.487 18277 9427 1 12 . 1 1 13 13 PRO CB C 12 31.077 31.077 31.031 0.046 18277 9428 1 12 . 1 1 14 14 ASN N N 13 115.499 115.499 116.770 -1.271 18277 9429 1 12 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.720 -0.128 18277 9430 1 12 . 1 1 14 14 ASN C C 13 178.208 178.208 177.035 1.173 18277 9431 1 12 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.928 0.863 18277 9432 1 12 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.410 -0.366 18277 9433 1 12 . 1 1 14 14 ASN H H 13 7.793 7.793 7.830 -0.037 18277 9434 1 12 . 1 1 15 15 VAL N N 14 121.205 121.205 121.009 0.196 18277 9435 1 12 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.814 -0.114 18277 9436 1 12 . 1 1 15 15 VAL C C 14 176.999 176.999 177.471 -0.472 18277 9437 1 12 . 1 1 15 15 VAL CA C 14 66.544 66.544 65.961 0.583 18277 9438 1 12 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.732 -0.307 18277 9439 1 12 . 1 1 15 15 VAL H H 14 7.704 7.704 7.594 0.110 18277 9440 1 12 . 1 1 16 16 ARG N N 15 121.067 121.067 118.304 2.763 18277 9441 1 12 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.079 -0.365 18277 9442 1 12 . 1 1 16 16 ARG C C 15 178.150 178.150 177.513 0.637 18277 9443 1 12 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.267 1.253 18277 9444 1 12 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.987 0.228 18277 9445 1 12 . 1 1 16 16 ARG H H 15 8.855 8.855 7.641 1.214 18277 9446 1 12 . 1 1 17 17 SER N N 16 112.741 112.741 115.435 -2.694 18277 9447 1 12 . 1 1 17 17 SER HA H 16 4.245 4.245 4.362 -0.117 18277 9448 1 12 . 1 1 17 17 SER C C 16 177.177 177.177 176.723 0.454 18277 9449 1 12 . 1 1 17 17 SER CA C 16 61.756 61.756 61.015 0.741 18277 9450 1 12 . 1 1 17 17 SER CB C 16 62.785 62.785 63.099 -0.314 18277 9451 1 12 . 1 1 17 17 SER H H 16 7.987 7.987 7.579 0.408 18277 9452 1 12 . 1 1 18 18 LEU N N 17 122.703 122.703 121.136 1.567 18277 9453 1 12 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.327 -0.070 18277 9454 1 12 . 1 1 18 18 LEU C C 17 179.350 179.350 179.077 0.273 18277 9455 1 12 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.615 0.869 18277 9456 1 12 . 1 1 18 18 LEU CB C 17 42.475 42.475 40.989 1.486 18277 9457 1 12 . 1 1 18 18 LEU H H 17 7.728 7.728 7.698 0.030 18277 9458 1 12 . 1 1 19 19 LEU N N 18 116.536 116.536 121.167 -4.631 18277 9459 1 12 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.364 -0.133 18277 9460 1 12 . 1 1 19 19 LEU C C 18 178.556 178.556 179.118 -0.562 18277 9461 1 12 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.651 -0.376 18277 9462 1 12 . 1 1 19 19 LEU CB C 18 41.716 41.716 40.666 1.050 18277 9463 1 12 . 1 1 19 19 LEU H H 18 8.367 8.367 8.088 0.279 18277 9464 1 12 . 1 1 20 20 THR N N 19 111.172 111.172 111.289 -0.117 18277 9465 1 12 . 1 1 20 20 THR HA H 19 4.072 4.072 4.020 0.052 18277 9466 1 12 . 1 1 20 20 THR C C 19 175.433 175.433 175.857 -0.424 18277 9467 1 12 . 1 1 20 20 THR CA C 19 65.421 65.421 64.985 0.436 18277 9468 1 12 . 1 1 20 20 THR CB C 19 69.541 69.541 68.261 1.280 18277 9469 1 12 . 1 1 20 20 THR H H 19 7.926 7.926 8.182 -0.256 18277 9470 1 12 . 1 1 21 21 LYS N N 20 117.696 117.696 118.519 -0.823 18277 9471 1 12 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.170 0.181 18277 9472 1 12 . 1 1 21 21 LYS C C 20 176.229 176.229 176.907 -0.678 18277 9473 1 12 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.285 0.229 18277 9474 1 12 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.291 0.058 18277 9475 1 12 . 1 1 21 21 LYS H H 20 7.350 7.350 8.080 -0.730 18277 9476 1 12 . 1 1 22 22 TRP N N 21 123.258 123.258 121.781 1.477 18277 9477 1 12 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.804 0.964 18277 9478 1 12 . 1 1 22 22 TRP C C 21 177.333 177.333 177.616 -0.283 18277 9479 1 12 . 1 1 22 22 TRP CA C 21 54.466 54.466 57.002 -2.537 18277 9480 1 12 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.266 0.616 18277 9481 1 12 . 1 1 22 22 TRP H H 21 7.710 7.710 7.312 0.398 18277 9482 1 12 . 1 1 23 23 ALA N N 22 133.336 133.336 129.302 4.034 18277 9483 1 12 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.159 -0.013 18277 9484 1 12 . 1 1 23 23 ALA C C 22 177.467 177.467 177.242 0.225 18277 9485 1 12 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.026 1.829 18277 9486 1 12 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.139 -0.175 18277 9487 1 12 . 1 1 23 23 ALA H H 22 9.658 9.658 8.660 0.998 18277 9488 1 12 . 1 1 24 24 LYS N N 23 111.352 111.352 116.058 -4.706 18277 9489 1 12 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.057 -0.057 18277 9490 1 12 . 1 1 24 24 LYS C C 23 175.467 175.467 175.793 -0.326 18277 9491 1 12 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.104 -0.582 18277 9492 1 12 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.127 1.179 18277 9493 1 12 . 1 1 24 24 LYS H H 23 5.756 5.756 8.057 -2.301 18277 9494 1 12 . 1 1 25 25 VAL N N 24 119.937 119.937 119.708 0.229 18277 9495 1 12 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.877 -0.499 18277 9496 1 12 . 1 1 25 25 VAL C C 24 175.634 175.634 175.989 -0.355 18277 9497 1 12 . 1 1 25 25 VAL CA C 24 64.463 64.463 62.089 2.374 18277 9498 1 12 . 1 1 25 25 VAL CB C 24 32.021 32.021 30.339 1.682 18277 9499 1 12 . 1 1 25 25 VAL H H 24 7.179 7.179 6.862 0.317 18277 9500 1 12 . 1 1 26 26 GLU N N 25 127.218 127.218 128.879 -1.661 18277 9501 1 12 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.315 0.093 18277 9502 1 12 . 1 1 26 26 GLU C C 25 176.448 176.448 176.451 -0.003 18277 9503 1 12 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.830 0.146 18277 9504 1 12 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.159 0.247 18277 9505 1 12 . 1 1 26 26 GLU H H 25 9.017 9.017 8.886 0.131 18277 9506 1 12 . 1 1 27 27 ARG N N 26 117.397 117.397 119.390 -1.993 18277 9507 1 12 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.569 -0.042 18277 9508 1 12 . 1 1 27 27 ARG C C 26 173.508 173.508 174.246 -0.738 18277 9509 1 12 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.836 1.380 18277 9510 1 12 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.961 1.002 18277 9511 1 12 . 1 1 27 27 ARG H H 26 7.521 7.521 7.541 -0.020 18277 9512 1 12 . 1 1 28 28 ILE N N 27 123.297 123.297 125.468 -2.171 18277 9513 1 12 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.518 0.163 18277 9514 1 12 . 1 1 28 28 ILE C C 27 173.872 173.872 174.385 -0.513 18277 9515 1 12 . 1 1 28 28 ILE CA C 27 61.090 61.090 61.004 0.086 18277 9516 1 12 . 1 1 28 28 ILE CB C 27 40.685 40.685 39.916 0.770 18277 9517 1 12 . 1 1 28 28 ILE H H 27 8.662 8.662 8.403 0.259 18277 9518 1 12 . 1 1 29 29 GLN N N 28 125.810 125.810 128.151 -2.341 18277 9519 1 12 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.693 0.059 18277 9520 1 12 . 1 1 29 29 GLN C C 28 174.329 174.329 173.500 0.829 18277 9521 1 12 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.561 -0.492 18277 9522 1 12 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.103 -0.161 18277 9523 1 12 . 1 1 29 29 GLN H H 28 9.282 9.282 8.597 0.685 18277 9524 1 12 . 1 1 30 30 ASP N N 29 125.001 125.001 121.560 3.441 18277 9525 1 12 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.901 -0.015 18277 9526 1 12 . 1 1 30 30 ASP C C 29 175.522 175.522 174.960 0.562 18277 9527 1 12 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.427 3.029 18277 9528 1 12 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.954 -2.631 18277 9529 1 12 . 1 1 30 30 ASP H H 29 8.666 8.666 8.428 0.238 18277 9530 1 12 . 1 1 31 31 VAL N N 30 116.978 116.978 116.576 0.402 18277 9531 1 12 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.671 -0.027 18277 9532 1 12 . 1 1 31 31 VAL C C 30 175.448 175.448 174.253 1.195 18277 9533 1 12 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.726 -0.548 18277 9534 1 12 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.541 0.583 18277 9535 1 12 . 1 1 31 31 VAL H H 30 7.784 7.784 7.999 -0.215 18277 9536 1 12 . 1 1 32 32 GLN N N 31 121.763 121.763 122.488 -0.725 18277 9537 1 12 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.194 -0.161 18277 9538 1 12 . 1 1 32 32 GLN C C 31 176.620 176.620 175.379 1.241 18277 9539 1 12 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.118 1.065 18277 9540 1 12 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.133 -0.091 18277 9541 1 12 . 1 1 32 32 GLN H H 31 8.515 8.515 8.606 -0.091 18277 9542 1 12 . 1 1 33 33 ASP N N 32 121.199 121.199 121.876 -0.677 18277 9543 1 12 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.534 0.441 18277 9544 1 12 . 1 1 33 33 ASP C C 32 176.998 176.998 174.828 2.170 18277 9545 1 12 . 1 1 33 33 ASP CA C 32 55.528 55.528 55.029 0.499 18277 9546 1 12 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.131 1.528 18277 9547 1 12 . 1 1 33 33 ASP H H 32 9.134 9.134 8.396 0.738 18277 9548 1 12 . 1 1 34 34 GLY N N 33 106.691 106.691 102.387 4.304 18277 9549 1 12 . 1 1 34 34 GLY C C 33 171.453 171.453 171.910 -0.457 18277 9550 1 12 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.861 1.504 18277 9551 1 12 . 1 1 34 34 GLY H H 33 8.104 8.104 7.713 0.391 18277 9552 1 12 . 1 1 35 35 LEU N N 34 119.801 119.801 119.821 -0.020 18277 9553 1 12 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.797 0.486 18277 9554 1 12 . 1 1 35 35 LEU C C 34 174.568 174.568 174.270 0.298 18277 9555 1 12 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.161 -1.593 18277 9556 1 12 . 1 1 35 35 LEU CB C 34 49.272 49.272 46.998 2.274 18277 9557 1 12 . 1 1 35 35 LEU H H 34 8.491 8.491 8.067 0.424 18277 9558 1 12 . 1 1 36 36 GLN N N 35 121.349 121.349 122.833 -1.484 18277 9559 1 12 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.602 -0.385 18277 9560 1 12 . 1 1 36 36 GLN C C 35 174.530 174.530 174.320 0.210 18277 9561 1 12 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.096 0.668 18277 9562 1 12 . 1 1 36 36 GLN CB C 35 31.480 31.480 30.981 0.499 18277 9563 1 12 . 1 1 36 36 GLN H H 35 8.992 8.992 8.368 0.624 18277 9564 1 12 . 1 1 37 37 LEU N N 36 126.882 126.882 126.734 0.148 18277 9565 1 12 . 1 1 37 37 LEU HA H 36 5.358 5.358 4.817 0.541 18277 9566 1 12 . 1 1 37 37 LEU C C 36 174.519 174.519 175.397 -0.878 18277 9567 1 12 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.597 1.334 18277 9568 1 12 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.980 0.271 18277 9569 1 12 . 1 1 37 37 LEU H H 36 9.826 9.826 8.225 1.601 18277 9570 1 12 . 1 1 38 38 ASP N N 37 122.748 122.748 120.489 2.259 18277 9571 1 12 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.909 0.540 18277 9572 1 12 . 1 1 38 38 ASP C C 37 175.197 175.197 175.182 0.015 18277 9573 1 12 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.417 -0.038 18277 9574 1 12 . 1 1 38 38 ASP CB C 37 42.062 42.062 42.400 -0.338 18277 9575 1 12 . 1 1 38 38 ASP H H 37 8.556 8.556 8.186 0.370 18277 9576 1 12 . 1 1 39 39 VAL N N 38 124.835 124.835 126.571 -1.736 18277 9577 1 12 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.778 0.363 18277 9578 1 12 . 1 1 39 39 VAL C C 38 174.081 174.081 174.535 -0.454 18277 9579 1 12 . 1 1 39 39 VAL CA C 38 60.442 60.442 62.381 -1.939 18277 9580 1 12 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.047 2.547 18277 9581 1 12 . 1 1 39 39 VAL H H 38 9.495 9.495 8.353 1.142 18277 9582 1 12 . 1 1 40 40 ARG N N 39 131.221 131.221 129.017 2.204 18277 9583 1 12 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.449 0.067 18277 9584 1 12 . 1 1 40 40 ARG C C 39 174.144 174.144 175.016 -0.872 18277 9585 1 12 . 1 1 40 40 ARG CA C 39 53.504 53.504 54.124 -0.620 18277 9586 1 12 . 1 1 40 40 ARG CB C 39 28.119 28.119 29.293 -1.173 18277 9587 1 12 . 1 1 40 40 ARG H H 39 9.046 9.046 8.553 0.493 18277 9588 1 12 . 1 1 41 41 LEU N N 40 129.501 129.501 124.493 5.008 18277 9589 1 12 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.148 -0.122 18277 9590 1 12 . 1 1 41 41 LEU C C 40 176.934 176.934 177.475 -0.541 18277 9591 1 12 . 1 1 41 41 LEU CA C 40 57.863 57.863 56.858 1.004 18277 9592 1 12 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.491 1.257 18277 9593 1 12 . 1 1 41 41 LEU H H 40 7.786 7.786 8.395 -0.609 18277 9594 1 12 . 1 1 42 42 LYS N N 41 112.553 112.553 117.333 -4.780 18277 9595 1 12 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.557 0.137 18277 9596 1 12 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.338 -1.159 18277 9597 1 12 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.000 1.003 18277 9598 1 12 . 1 1 42 42 LYS H H 41 8.313 8.313 7.730 0.583 18277 9599 1 12 . 1 1 43 43 THR HA H 42 3.860 3.860 4.098 -0.238 18277 9600 1 12 . 1 1 43 43 THR C C 42 174.883 174.883 173.997 0.886 18277 9601 1 12 . 1 1 43 43 THR CA C 42 66.494 66.494 65.346 1.148 18277 9602 1 12 . 1 1 43 43 THR CB C 42 68.508 68.508 68.901 -0.393 18277 9603 1 12 . 1 1 44 44 ASP N N 43 114.795 114.795 116.633 -1.838 18277 9604 1 12 . 1 1 44 44 ASP HA H 43 4.829 4.829 5.087 -0.258 18277 9605 1 12 . 1 1 44 44 ASP C C 43 176.791 176.791 174.876 1.915 18277 9606 1 12 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.833 -0.912 18277 9607 1 12 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.504 0.566 18277 9608 1 12 . 1 1 44 44 ASP H H 43 7.759 7.759 8.040 -0.281 18277 9609 1 12 . 1 1 45 45 THR N N 44 115.323 115.323 114.795 0.528 18277 9610 1 12 . 1 1 45 45 THR HA H 44 5.303 5.303 4.795 0.508 18277 9611 1 12 . 1 1 45 45 THR C C 44 171.480 171.480 172.384 -0.904 18277 9612 1 12 . 1 1 45 45 THR CA C 44 62.732 62.732 62.012 0.720 18277 9613 1 12 . 1 1 45 45 THR CB C 44 72.378 72.378 71.811 0.567 18277 9614 1 12 . 1 1 45 45 THR H H 44 7.551 7.551 8.133 -0.582 18277 9615 1 12 . 1 1 46 46 LEU N N 45 130.323 130.323 128.530 1.793 18277 9616 1 12 . 1 1 46 46 LEU HA H 45 4.954 4.954 4.997 -0.043 18277 9617 1 12 . 1 1 46 46 LEU C C 45 174.048 174.048 174.083 -0.035 18277 9618 1 12 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.903 -0.546 18277 9619 1 12 . 1 1 46 46 LEU CB C 45 45.735 45.735 45.268 0.467 18277 9620 1 12 . 1 1 46 46 LEU H H 45 9.590 9.590 8.644 0.946 18277 9621 1 12 . 1 1 47 47 LEU N N 46 127.468 127.468 127.772 -0.304 18277 9622 1 12 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.504 -0.354 18277 9623 1 12 . 1 1 47 47 LEU C C 46 173.309 173.309 175.243 -1.934 18277 9624 1 12 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.032 0.555 18277 9625 1 12 . 1 1 47 47 LEU CB C 46 45.122 45.122 44.292 0.830 18277 9626 1 12 . 1 1 47 47 LEU H H 46 9.673 9.673 9.282 0.391 18277 9627 1 12 . 1 1 48 48 GLU N N 47 131.371 131.371 127.031 4.340 18277 9628 1 12 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.807 0.415 18277 9629 1 12 . 1 1 48 48 GLU C C 47 173.970 173.970 174.873 -0.903 18277 9630 1 12 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.059 -1.385 18277 9631 1 12 . 1 1 48 48 GLU CB C 47 31.910 31.910 31.236 0.674 18277 9632 1 12 . 1 1 48 48 GLU H H 47 9.400 9.400 8.644 0.756 18277 9633 1 12 . 1 1 49 49 LEU N N 48 129.742 129.742 125.682 4.060 18277 9634 1 12 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.840 0.147 18277 9635 1 12 . 1 1 49 49 LEU C C 48 174.115 174.115 174.797 -0.682 18277 9636 1 12 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.044 0.629 18277 9637 1 12 . 1 1 49 49 LEU CB C 48 45.638 45.638 43.885 1.753 18277 9638 1 12 . 1 1 49 49 LEU H H 48 9.433 9.433 7.991 1.442 18277 9639 1 12 . 1 1 50 50 HIS N N 49 126.356 126.356 126.368 -0.012 18277 9640 1 12 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.540 -0.120 18277 9641 1 12 . 1 1 50 50 HIS C C 49 174.293 174.293 174.811 -0.518 18277 9642 1 12 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.307 2.319 18277 9643 1 12 . 1 1 50 50 HIS CB C 49 33.850 33.850 31.291 2.559 18277 9644 1 12 . 1 1 50 50 HIS H H 49 9.575 9.575 9.198 0.377 18277 9645 1 12 . 1 1 51 51 ILE N N 50 123.679 123.679 126.597 -2.918 18277 9646 1 12 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.415 0.831 18277 9647 1 12 . 1 1 51 51 ILE C C 50 175.021 175.021 173.793 1.228 18277 9648 1 12 . 1 1 51 51 ILE CA C 50 60.592 60.592 60.345 0.247 18277 9649 1 12 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.601 1.170 18277 9650 1 12 . 1 1 51 51 ILE H H 50 8.991 8.991 8.266 0.725 18277 9651 1 12 . 1 1 52 52 TYR N N 51 126.281 126.281 125.027 1.254 18277 9652 1 12 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.387 0.084 18277 9653 1 12 . 1 1 52 52 TYR C C 51 171.145 171.145 173.494 -2.349 18277 9654 1 12 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.353 0.259 18277 9655 1 12 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.797 0.324 18277 9656 1 12 . 1 1 52 52 TYR H H 51 9.189 9.189 7.824 1.365 18277 9657 1 12 . 1 1 53 53 TYR N N 52 120.025 120.025 125.424 -5.399 18277 9658 1 12 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.228 -0.421 18277 9659 1 12 . 1 1 53 53 TYR C C 52 173.874 173.874 174.118 -0.244 18277 9660 1 12 . 1 1 53 53 TYR CA C 52 56.962 56.962 57.944 -0.982 18277 9661 1 12 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.506 0.038 18277 9662 1 12 . 1 1 53 53 TYR H H 52 7.985 7.985 8.344 -0.359 18277 9663 1 12 . 1 1 54 54 ASP N N 53 127.411 127.411 122.817 4.594 18277 9664 1 12 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.799 -0.106 18277 9665 1 12 . 1 1 54 54 ASP C C 53 175.962 175.962 175.392 0.570 18277 9666 1 12 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.753 1.224 18277 9667 1 12 . 1 1 54 54 ASP CB C 53 43.028 43.028 43.675 -0.647 18277 9668 1 12 . 1 1 54 54 ASP H H 53 7.449 7.449 7.660 -0.211 18277 9669 1 12 . 1 1 55 55 HIS N N 54 124.486 124.486 123.236 1.250 18277 9670 1 12 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.318 -0.339 18277 9671 1 12 . 1 1 55 55 HIS C C 54 175.406 175.406 175.044 0.362 18277 9672 1 12 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.453 2.164 18277 9673 1 12 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.230 2.187 18277 9674 1 12 . 1 1 55 55 HIS H H 54 8.512 8.512 8.673 -0.161 18277 9675 1 12 . 1 1 56 56 VAL N N 55 120.625 120.625 119.784 0.841 18277 9676 1 12 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.751 -0.215 18277 9677 1 12 . 1 1 56 56 VAL C C 55 177.379 177.379 176.453 0.926 18277 9678 1 12 . 1 1 56 56 VAL CA C 55 65.174 65.174 65.555 -0.381 18277 9679 1 12 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.917 -0.643 18277 9680 1 12 . 1 1 56 56 VAL H H 55 8.397 8.397 8.496 -0.099 18277 9681 1 12 . 1 1 57 57 TYR N N 56 115.771 115.771 114.049 1.722 18277 9682 1 12 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.647 -0.381 18277 9683 1 12 . 1 1 57 57 TYR C C 56 174.645 174.645 174.939 -0.294 18277 9684 1 12 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.163 1.563 18277 9685 1 12 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.982 -0.416 18277 9686 1 12 . 1 1 57 57 TYR H H 56 7.641 7.641 7.545 0.096 18277 9687 1 12 . 1 1 58 58 HIS N N 57 116.177 116.177 116.008 0.169 18277 9688 1 12 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.197 -0.450 18277 9689 1 12 . 1 1 58 58 HIS C C 57 172.860 172.860 173.051 -0.191 18277 9690 1 12 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.415 -0.767 18277 9691 1 12 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.320 -2.018 18277 9692 1 12 . 1 1 58 58 HIS H H 57 7.764 7.764 7.593 0.171 18277 9693 1 12 . 1 1 59 59 VAL N N 58 104.729 104.729 110.828 -6.099 18277 9694 1 12 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.633 0.067 18277 9695 1 12 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.270 -1.938 18277 9696 1 12 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.516 0.697 18277 9697 1 12 . 1 1 59 59 VAL H H 58 6.310 6.310 7.183 -0.873 18277 9698 1 12 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.284 0.061 18277 9699 1 12 . 1 1 60 60 PRO C C 59 174.254 174.254 175.049 -0.795 18277 9700 1 12 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.620 -0.030 18277 9701 1 12 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.462 -1.686 18277 9702 1 12 . 1 1 61 61 SER N N 60 116.530 116.530 114.622 1.908 18277 9703 1 12 . 1 1 61 61 SER HA H 60 4.899 4.899 4.577 0.322 18277 9704 1 12 . 1 1 61 61 SER CA C 60 57.691 57.691 55.945 1.746 18277 9705 1 12 . 1 1 61 61 SER CB C 60 66.483 66.483 64.662 1.821 18277 9706 1 12 . 1 1 61 61 SER H H 60 8.854 8.854 8.068 0.786 18277 9707 1 12 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.316 1.388 18277 9708 1 12 . 1 1 62 62 ILE C C 61 176.160 176.160 174.017 2.143 18277 9709 1 12 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.019 -1.101 18277 9710 1 12 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.489 0.300 18277 9711 1 12 . 1 1 63 63 LYS N N 62 123.794 123.794 127.037 -3.243 18277 9712 1 12 . 1 1 63 63 LYS HA H 62 5.694 5.694 5.231 0.463 18277 9713 1 12 . 1 1 63 63 LYS C C 62 174.598 174.598 174.673 -0.075 18277 9714 1 12 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.647 -1.139 18277 9715 1 12 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.578 0.125 18277 9716 1 12 . 1 1 63 63 LYS H H 62 9.011 9.011 8.294 0.717 18277 9717 1 12 . 1 1 64 64 PHE N N 63 116.267 116.267 123.171 -6.904 18277 9718 1 12 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.553 0.760 18277 9719 1 12 . 1 1 64 64 PHE C C 63 173.139 173.139 173.559 -0.420 18277 9720 1 12 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.004 1.589 18277 9721 1 12 . 1 1 64 64 PHE CB C 63 42.941 42.941 43.026 -0.085 18277 9722 1 12 . 1 1 64 64 PHE H H 63 9.776 9.776 8.425 1.351 18277 9723 1 12 . 1 1 65 65 ARG N N 64 116.428 116.428 118.078 -1.650 18277 9724 1 12 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.922 -0.141 18277 9725 1 12 . 1 1 65 65 ARG C C 64 173.867 173.867 174.681 -0.814 18277 9726 1 12 . 1 1 65 65 ARG CA C 64 55.757 55.757 55.053 0.704 18277 9727 1 12 . 1 1 65 65 ARG CB C 64 35.068 35.068 34.549 0.519 18277 9728 1 12 . 1 1 65 65 ARG H H 64 9.257 9.257 8.271 0.986 18277 9729 1 12 . 1 1 66 66 LEU N N 65 121.826 121.826 123.021 -1.195 18277 9730 1 12 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.586 0.863 18277 9731 1 12 . 1 1 66 66 LEU C C 65 174.002 174.002 176.280 -2.278 18277 9732 1 12 . 1 1 66 66 LEU CA C 65 53.826 53.826 54.886 -1.060 18277 9733 1 12 . 1 1 66 66 LEU CB C 65 46.672 46.672 43.212 3.460 18277 9734 1 12 . 1 1 66 66 LEU H H 65 9.041 9.041 8.846 0.195 18277 9735 1 12 . 1 1 67 67 TRP N N 66 120.671 120.671 123.210 -2.539 18277 9736 1 12 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.229 0.094 18277 9737 1 12 . 1 1 67 67 TRP C C 66 175.763 175.763 175.494 0.269 18277 9738 1 12 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.264 -1.182 18277 9739 1 12 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.810 -0.639 18277 9740 1 12 . 1 1 67 67 TRP H H 66 9.366 9.366 8.732 0.634 18277 9741 1 12 . 1 1 68 68 SER N N 67 117.273 117.273 115.475 1.798 18277 9742 1 12 . 1 1 68 68 SER HA H 67 5.297 5.297 5.027 0.270 18277 9743 1 12 . 1 1 68 68 SER C C 67 174.327 174.327 174.004 0.323 18277 9744 1 12 . 1 1 68 68 SER CA C 67 56.883 56.883 57.075 -0.192 18277 9745 1 12 . 1 1 68 68 SER CB C 67 65.230 65.230 63.931 1.299 18277 9746 1 12 . 1 1 68 68 SER H H 67 9.750 9.750 9.163 0.587 18277 9747 1 12 . 1 1 69 69 LEU N N 68 126.002 126.002 129.818 -3.816 18277 9748 1 12 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.536 0.222 18277 9749 1 12 . 1 1 69 69 LEU C C 68 176.022 176.022 176.433 -0.411 18277 9750 1 12 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.846 -1.467 18277 9751 1 12 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.530 0.841 18277 9752 1 12 . 1 1 69 69 LEU H H 68 8.119 8.119 8.602 -0.483 18277 9753 1 12 . 1 1 70 70 ASP N N 69 124.828 124.828 125.973 -1.145 18277 9754 1 12 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.976 -0.195 18277 9755 1 12 . 1 1 70 70 ASP C C 69 176.396 176.396 175.845 0.551 18277 9756 1 12 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.446 0.937 18277 9757 1 12 . 1 1 70 70 ASP CB C 69 41.992 41.992 43.535 -1.543 18277 9758 1 12 . 1 1 70 70 ASP H H 69 8.572 8.572 7.964 0.608 18277 9759 1 12 . 1 1 71 71 THR N N 70 114.913 114.913 115.053 -0.140 18277 9760 1 12 . 1 1 71 71 THR HA H 70 4.531 4.531 4.465 0.066 18277 9761 1 12 . 1 1 71 71 THR C C 70 174.451 174.451 174.877 -0.426 18277 9762 1 12 . 1 1 71 71 THR CA C 70 61.742 61.742 61.475 0.267 18277 9763 1 12 . 1 1 71 71 THR CB C 70 69.950 69.950 68.634 1.316 18277 9764 1 12 . 1 1 71 71 THR H H 70 8.403 8.403 8.339 0.064 18277 9765 1 12 . 1 1 72 72 GLU N N 71 123.605 123.605 121.745 1.860 18277 9766 1 12 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.089 0.152 18277 9767 1 12 . 1 1 72 72 GLU C C 71 176.451 176.451 177.274 -0.823 18277 9768 1 12 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.936 -1.729 18277 9769 1 12 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.561 0.849 18277 9770 1 12 . 1 1 72 72 GLU H H 71 8.542 8.542 8.777 -0.235 18277 9771 1 12 . 1 1 73 73 GLU N N 72 119.641 119.641 117.313 2.328 18277 9772 1 12 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.381 -0.270 18277 9773 1 12 . 1 1 73 73 GLU C C 72 175.577 175.577 175.332 0.245 18277 9774 1 12 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.148 0.949 18277 9775 1 12 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.094 -0.751 18277 9776 1 12 . 1 1 73 73 GLU H H 72 8.503 8.503 8.234 0.269 18277 9777 1 12 . 1 1 74 74 ASP N N 73 117.882 117.882 119.489 -1.607 18277 9778 1 12 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.387 0.184 18277 9779 1 12 . 1 1 74 74 ASP C C 73 176.077 176.077 175.525 0.552 18277 9780 1 12 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.150 -0.656 18277 9781 1 12 . 1 1 74 74 ASP CB C 73 40.938 40.938 38.837 2.101 18277 9782 1 12 . 1 1 74 74 ASP H H 73 8.228 8.228 8.444 -0.216 18277 9783 1 12 . 1 1 75 75 ILE N N 74 120.809 120.809 112.600 8.209 18277 9784 1 12 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.275 -0.066 18277 9785 1 12 . 1 1 75 75 ILE C C 74 175.939 175.939 175.998 -0.059 18277 9786 1 12 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.980 0.346 18277 9787 1 12 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.652 0.017 18277 9788 1 12 . 1 1 75 75 ILE H H 74 8.089 8.089 7.974 0.115 18277 9789 1 12 . 1 1 76 76 SER N N 75 119.402 119.402 115.471 3.931 18277 9790 1 12 . 1 1 76 76 SER HA H 75 4.652 4.652 4.163 0.489 18277 9791 1 12 . 1 1 76 76 SER C C 75 174.313 174.313 173.911 0.402 18277 9792 1 12 . 1 1 76 76 SER CA C 75 58.778 58.778 58.639 0.139 18277 9793 1 12 . 1 1 76 76 SER CB C 75 63.860 63.860 62.325 1.535 18277 9794 1 12 . 1 1 76 76 SER H H 75 8.449 8.449 8.254 0.195 18277 9795 1 12 . 1 1 77 77 SER N N 76 118.644 118.644 116.065 2.579 18277 9796 1 12 . 1 1 77 77 SER HA H 76 4.588 4.588 4.711 -0.123 18277 9797 1 12 . 1 1 77 77 SER C C 76 173.094 173.094 173.212 -0.118 18277 9798 1 12 . 1 1 77 77 SER CA C 76 57.772 57.772 58.618 -0.846 18277 9799 1 12 . 1 1 77 77 SER CB C 76 64.461 64.461 64.214 0.247 18277 9800 1 12 . 1 1 77 77 SER H H 76 8.280 8.280 7.675 0.605 18277 9801 1 12 . 1 1 78 78 LEU N N 77 123.896 123.896 114.767 9.129 18277 9802 1 12 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.019 -0.021 18277 9803 1 12 . 1 1 78 78 LEU C C 77 177.081 177.081 175.127 1.954 18277 9804 1 12 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.387 0.621 18277 9805 1 12 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.417 -1.396 18277 9806 1 12 . 1 1 78 78 LEU H H 77 7.981 7.981 8.282 -0.301 18277 9807 1 12 . 1 1 79 79 ARG N N 78 123.195 123.195 120.987 2.208 18277 9808 1 12 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.776 0.183 18277 9809 1 12 . 1 1 79 79 ARG C C 78 174.994 174.994 174.336 0.658 18277 9810 1 12 . 1 1 79 79 ARG CA C 78 54.664 54.664 54.916 -0.251 18277 9811 1 12 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.557 -0.277 18277 9812 1 12 . 1 1 79 79 ARG H H 78 9.013 9.013 8.051 0.962 18277 9813 1 12 . 1 1 80 80 LEU N N 79 128.388 128.388 125.357 3.031 18277 9814 1 12 . 1 1 80 80 LEU HA H 79 3.778 3.778 4.067 -0.289 18277 9815 1 12 . 1 1 80 80 LEU C C 79 177.216 177.216 175.604 1.612 18277 9816 1 12 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.425 0.624 18277 9817 1 12 . 1 1 80 80 LEU CB C 79 42.285 42.285 42.180 0.105 18277 9818 1 12 . 1 1 80 80 LEU H H 79 8.807 8.807 8.525 0.282 18277 9819 1 12 . 1 1 81 81 LEU N N 80 127.521 127.521 126.459 1.062 18277 9820 1 12 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.798 -0.235 18277 9821 1 12 . 1 1 81 81 LEU C C 80 176.354 176.354 176.113 0.241 18277 9822 1 12 . 1 1 81 81 LEU CA C 80 54.161 54.161 53.378 0.783 18277 9823 1 12 . 1 1 81 81 LEU CB C 80 43.410 43.410 44.743 -1.333 18277 9824 1 12 . 1 1 81 81 LEU H H 80 8.478 8.478 8.448 0.030 18277 9825 1 12 . 1 1 82 82 THR N N 81 121.108 121.108 115.138 5.970 18277 9826 1 12 . 1 1 82 82 THR HA H 81 4.391 4.391 4.807 -0.416 18277 9827 1 12 . 1 1 82 82 THR C C 81 173.678 173.678 173.992 -0.314 18277 9828 1 12 . 1 1 82 82 THR CA C 81 61.112 61.112 61.448 -0.336 18277 9829 1 12 . 1 1 82 82 THR CB C 81 68.941 68.941 68.569 0.372 18277 9830 1 12 . 1 1 82 82 THR H H 81 8.735 8.735 8.197 0.538 18277 9831 1 12 . 1 1 83 83 LEU N N 82 125.276 125.276 124.299 0.977 18277 9832 1 12 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.864 -0.093 18277 9833 1 12 . 1 1 83 83 LEU C C 82 177.192 177.192 175.843 1.349 18277 9834 1 12 . 1 1 83 83 LEU CA C 82 53.414 53.414 52.861 0.553 18277 9835 1 12 . 1 1 83 83 LEU CB C 82 44.525 44.525 43.704 0.821 18277 9836 1 12 . 1 1 83 83 LEU H H 82 7.985 7.985 7.947 0.038 18277 9837 1 12 . 1 1 84 84 SER N N 83 118.590 118.590 115.952 2.638 18277 9838 1 12 . 1 1 84 84 SER HA H 83 4.591 4.591 4.541 0.050 18277 9839 1 12 . 1 1 84 84 SER C C 83 174.317 174.317 175.239 -0.922 18277 9840 1 12 . 1 1 84 84 SER CA C 83 57.202 57.202 57.619 -0.417 18277 9841 1 12 . 1 1 84 84 SER CB C 83 65.345 65.345 63.786 1.559 18277 9842 1 12 . 1 1 84 84 SER H H 83 9.214 9.214 8.658 0.556 18277 9843 1 12 . 1 1 85 85 ASP N N 84 121.149 121.149 122.078 -0.929 18277 9844 1 12 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.431 -0.088 18277 9845 1 12 . 1 1 85 85 ASP C C 84 178.027 178.027 178.527 -0.500 18277 9846 1 12 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.729 1.062 18277 9847 1 12 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.210 1.776 18277 9848 1 12 . 1 1 85 85 ASP H H 84 9.014 9.014 8.762 0.252 18277 9849 1 12 . 1 1 86 86 SER N N 85 111.874 111.874 114.340 -2.466 18277 9850 1 12 . 1 1 86 86 SER HA H 85 4.110 4.110 4.157 -0.047 18277 9851 1 12 . 1 1 86 86 SER C C 85 177.696 177.696 175.825 1.871 18277 9852 1 12 . 1 1 86 86 SER CA C 85 61.560 61.560 60.914 0.646 18277 9853 1 12 . 1 1 86 86 SER CB C 85 62.355 62.355 62.852 -0.497 18277 9854 1 12 . 1 1 86 86 SER H H 85 8.467 8.467 8.591 -0.124 18277 9855 1 12 . 1 1 87 87 GLU N N 86 122.948 122.948 118.714 4.234 18277 9856 1 12 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.214 -0.137 18277 9857 1 12 . 1 1 87 87 GLU C C 86 180.335 180.335 177.573 2.762 18277 9858 1 12 . 1 1 87 87 GLU CA C 86 59.036 59.036 57.637 1.399 18277 9859 1 12 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.841 0.978 18277 9860 1 12 . 1 1 87 87 GLU H H 86 7.660 7.660 7.462 0.198 18277 9861 1 12 . 1 1 88 88 LEU N N 87 122.341 122.341 121.321 1.020 18277 9862 1 12 . 1 1 88 88 LEU HA H 87 3.883 3.883 3.887 -0.004 18277 9863 1 12 . 1 1 88 88 LEU C C 87 178.818 178.818 178.677 0.141 18277 9864 1 12 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.596 0.478 18277 9865 1 12 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.856 0.515 18277 9866 1 12 . 1 1 88 88 LEU H H 87 8.878 8.878 7.961 0.917 18277 9867 1 12 . 1 1 89 89 ARG N N 88 115.874 115.874 118.566 -2.692 18277 9868 1 12 . 1 1 89 89 ARG HA H 88 4.126 4.126 3.974 0.152 18277 9869 1 12 . 1 1 89 89 ARG C C 88 176.552 176.552 177.987 -1.435 18277 9870 1 12 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.565 0.155 18277 9871 1 12 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.183 0.602 18277 9872 1 12 . 1 1 89 89 ARG H H 88 7.956 7.956 8.323 -0.367 18277 9873 1 12 . 1 1 90 90 SER N N 89 112.295 112.295 113.072 -0.777 18277 9874 1 12 . 1 1 90 90 SER HA H 89 4.565 4.565 4.257 0.308 18277 9875 1 12 . 1 1 90 90 SER C C 89 174.817 174.817 175.391 -0.574 18277 9876 1 12 . 1 1 90 90 SER CA C 89 60.043 60.043 60.986 -0.943 18277 9877 1 12 . 1 1 90 90 SER CB C 89 63.858 63.858 63.124 0.734 18277 9878 1 12 . 1 1 90 90 SER H H 89 7.481 7.481 7.449 0.032 18277 9879 1 12 . 1 1 91 91 ILE N N 90 116.577 116.577 113.531 3.046 18277 9880 1 12 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.285 0.153 18277 9881 1 12 . 1 1 91 91 ILE C C 90 174.636 174.636 175.352 -0.716 18277 9882 1 12 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.472 0.790 18277 9883 1 12 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.651 1.958 18277 9884 1 12 . 1 1 91 91 ILE H H 90 7.372 7.372 7.827 -0.455 18277 9885 1 12 . 1 1 92 92 LEU N N 91 119.723 119.723 119.669 0.054 18277 9886 1 12 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.241 0.400 18277 9887 1 12 . 1 1 92 92 LEU C C 91 175.178 175.178 176.234 -1.056 18277 9888 1 12 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.489 -1.676 18277 9889 1 12 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.583 1.090 18277 9890 1 12 . 1 1 92 92 LEU H H 91 7.900 7.900 7.735 0.165 18277 9891 1 12 . 1 1 93 93 ASN N N 92 119.687 119.687 119.510 0.177 18277 9892 1 12 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.910 0.073 18277 9893 1 12 . 1 1 93 93 ASN C C 92 174.978 174.978 174.667 0.311 18277 9894 1 12 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.207 -0.836 18277 9895 1 12 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.034 -1.303 18277 9896 1 12 . 1 1 93 93 ASN H H 92 8.916 8.916 8.527 0.389 18277 9897 1 12 . 1 1 94 94 LEU N N 93 121.052 121.052 124.047 -2.995 18277 9898 1 12 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.500 -0.554 18277 9899 1 12 . 1 1 94 94 LEU C C 93 177.367 177.367 178.411 -1.044 18277 9900 1 12 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.266 0.785 18277 9901 1 12 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.127 0.645 18277 9902 1 12 . 1 1 94 94 LEU H H 93 8.172 8.172 8.657 -0.485 18277 9903 1 12 . 1 1 95 95 GLY N N 94 105.340 105.340 107.215 -1.875 18277 9904 1 12 . 1 1 95 95 GLY C C 94 176.133 176.133 175.794 0.339 18277 9905 1 12 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.179 0.170 18277 9906 1 12 . 1 1 95 95 GLY H H 94 8.281 8.281 8.227 0.054 18277 9907 1 12 . 1 1 96 96 THR N N 95 117.040 117.040 117.573 -0.533 18277 9908 1 12 . 1 1 96 96 THR HA H 95 4.242 4.242 4.508 -0.266 18277 9909 1 12 . 1 1 96 96 THR C C 95 175.349 175.349 175.057 0.292 18277 9910 1 12 . 1 1 96 96 THR CA C 95 61.859 61.859 61.348 0.511 18277 9911 1 12 . 1 1 96 96 THR CB C 95 68.399 68.399 69.813 -1.414 18277 9912 1 12 . 1 1 96 96 THR H H 95 8.419 8.419 7.852 0.567 18277 9913 1 12 . 1 1 97 97 PHE N N 96 122.590 122.590 121.644 0.946 18277 9914 1 12 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.500 0.222 18277 9915 1 12 . 1 1 97 97 PHE C C 96 174.704 174.704 175.654 -0.950 18277 9916 1 12 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.367 -0.768 18277 9917 1 12 . 1 1 97 97 PHE CB C 96 39.149 39.149 39.914 -0.765 18277 9918 1 12 . 1 1 97 97 PHE H H 96 8.517 8.517 8.398 0.119 18277 9919 1 12 . 1 1 98 98 SER N N 97 114.201 114.201 114.167 0.034 18277 9920 1 12 . 1 1 98 98 SER HA H 97 4.859 4.859 4.771 0.088 18277 9921 1 12 . 1 1 98 98 SER C C 97 173.002 173.002 172.782 0.220 18277 9922 1 12 . 1 1 98 98 SER CA C 97 57.346 57.346 57.551 -0.205 18277 9923 1 12 . 1 1 98 98 SER CB C 97 65.739 65.739 65.785 -0.046 18277 9924 1 12 . 1 1 98 98 SER H H 97 9.129 9.129 8.760 0.369 18277 9925 1 12 . 1 1 99 99 VAL N N 98 120.191 120.191 120.763 -0.572 18277 9926 1 12 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.602 0.917 18277 9927 1 12 . 1 1 99 99 VAL C C 98 175.574 175.574 174.859 0.715 18277 9928 1 12 . 1 1 99 99 VAL CA C 98 59.390 59.390 61.750 -2.360 18277 9929 1 12 . 1 1 99 99 VAL CB C 98 35.426 35.426 36.170 -0.744 18277 9930 1 12 . 1 1 99 99 VAL H H 98 8.655 8.655 8.441 0.214 18277 9931 1 12 . 1 1 100 100 THR N N 99 120.623 120.623 119.668 0.955 18277 9932 1 12 . 1 1 100 100 THR HA H 99 4.729 4.729 4.609 0.120 18277 9933 1 12 . 1 1 100 100 THR C C 99 172.605 172.605 172.637 -0.032 18277 9934 1 12 . 1 1 100 100 THR CA C 99 61.114 61.114 62.369 -1.255 18277 9935 1 12 . 1 1 100 100 THR CB C 99 71.850 71.850 70.189 1.661 18277 9936 1 12 . 1 1 100 100 THR H H 99 8.997 8.997 8.525 0.472 18277 9937 1 12 . 1 1 101 101 LEU N N 100 127.613 127.613 129.153 -1.540 18277 9938 1 12 . 1 1 101 101 LEU HA H 100 4.949 4.949 4.569 0.380 18277 9939 1 12 . 1 1 101 101 LEU C C 100 176.666 176.666 175.553 1.113 18277 9940 1 12 . 1 1 101 101 LEU CA C 100 54.689 54.689 54.447 0.242 18277 9941 1 12 . 1 1 101 101 LEU CB C 100 43.166 43.166 42.958 0.208 18277 9942 1 12 . 1 1 101 101 LEU H H 100 8.766 8.766 8.615 0.151 18277 9943 1 12 . 1 1 102 102 SER N N 101 119.771 119.771 122.426 -2.655 18277 9944 1 12 . 1 1 102 102 SER HA H 101 4.749 4.749 4.850 -0.101 18277 9945 1 12 . 1 1 102 102 SER C C 101 173.477 173.477 172.489 0.988 18277 9946 1 12 . 1 1 102 102 SER CA C 101 57.514 57.514 57.062 0.452 18277 9947 1 12 . 1 1 102 102 SER CB C 101 65.024 65.024 65.860 -0.836 18277 9948 1 12 . 1 1 102 102 SER H H 101 8.926 8.926 9.152 -0.226 18277 9949 1 12 . 1 1 103 103 THR N N 102 117.853 117.853 117.719 0.134 18277 9950 1 12 . 1 1 103 103 THR HA H 102 4.618 4.618 3.934 0.684 18277 9951 1 12 . 1 1 103 103 THR C C 102 174.020 174.020 173.509 0.511 18277 9952 1 12 . 1 1 103 103 THR CA C 102 61.991 61.991 61.363 0.628 18277 9953 1 12 . 1 1 103 103 THR CB C 102 69.972 69.972 71.543 -1.571 18277 9954 1 12 . 1 1 103 103 THR H H 102 8.409 8.409 7.996 0.413 18277 9955 1 12 . 1 1 104 104 ASP N N 103 125.295 125.295 123.662 1.633 18277 9956 1 12 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.855 -0.147 18277 9957 1 12 . 1 1 104 104 ASP C C 103 176.908 176.908 178.275 -1.367 18277 9958 1 12 . 1 1 104 104 ASP CA C 103 53.559 53.559 54.326 -0.767 18277 9959 1 12 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.497 -0.252 18277 9960 1 12 . 1 1 104 104 ASP H H 103 8.598 8.598 7.936 0.662 18277 9961 1 12 . 1 1 105 105 MET N N 104 122.470 122.470 119.811 2.659 18277 9962 1 12 . 1 1 105 105 MET HA H 104 4.270 4.270 4.279 -0.009 18277 9963 1 12 . 1 1 105 105 MET C C 104 177.354 177.354 176.851 0.503 18277 9964 1 12 . 1 1 105 105 MET CA C 104 57.300 57.300 58.318 -1.018 18277 9965 1 12 . 1 1 105 105 MET CB C 104 32.108 32.108 32.385 -0.276 18277 9966 1 12 . 1 1 105 105 MET H H 104 8.719 8.719 8.788 -0.069 18277 9967 1 12 . 1 1 106 106 GLU N N 105 118.752 118.752 118.113 0.639 18277 9968 1 12 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.196 0.040 18277 9969 1 12 . 1 1 106 106 GLU C C 105 177.172 177.172 176.583 0.589 18277 9970 1 12 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.647 1.082 18277 9971 1 12 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.821 -0.045 18277 9972 1 12 . 1 1 106 106 GLU H H 105 8.306 8.306 8.012 0.294 18277 9973 1 12 . 1 1 107 107 MET N N 106 116.736 116.736 115.337 1.399 18277 9974 1 12 . 1 1 107 107 MET HA H 106 4.329 4.329 4.095 0.234 18277 9975 1 12 . 1 1 107 107 MET C C 106 176.319 176.319 175.929 0.390 18277 9976 1 12 . 1 1 107 107 MET CA C 106 55.514 55.514 56.447 -0.933 18277 9977 1 12 . 1 1 107 107 MET CB C 106 31.566 31.566 31.341 0.225 18277 9978 1 12 . 1 1 107 107 MET H H 106 8.206 8.206 7.816 0.390 18277 9979 1 12 . 1 1 108 108 LYS N N 107 117.661 117.661 118.152 -0.491 18277 9980 1 12 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.268 -0.182 18277 9981 1 12 . 1 1 108 108 LYS C C 107 176.049 176.049 176.301 -0.252 18277 9982 1 12 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.580 0.520 18277 9983 1 12 . 1 1 108 108 LYS CB C 107 30.890 30.890 33.136 -2.247 18277 9984 1 12 . 1 1 108 108 LYS H H 107 8.382 8.382 8.259 0.123 18277 9985 1 12 . 1 1 109 109 SER N N 108 113.019 113.019 114.922 -1.903 18277 9986 1 12 . 1 1 109 109 SER HA H 108 4.566 4.566 4.604 -0.038 18277 9987 1 12 . 1 1 109 109 SER C C 108 172.969 172.969 172.128 0.841 18277 9988 1 12 . 1 1 109 109 SER CA C 108 56.997 56.997 57.181 -0.184 18277 9989 1 12 . 1 1 109 109 SER CB C 108 65.035 65.035 64.609 0.426 18277 9990 1 12 . 1 1 109 109 SER H H 108 7.892 7.892 7.566 0.326 18277 9991 1 12 . 1 1 110 110 VAL N N 109 121.915 121.915 121.213 0.702 18277 9992 1 12 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.166 0.236 18277 9993 1 12 . 1 1 110 110 VAL C C 109 174.706 174.706 173.973 0.733 18277 9994 1 12 . 1 1 110 110 VAL CA C 109 61.974 61.974 59.736 2.238 18277 9995 1 12 . 1 1 110 110 VAL CB C 109 33.080 33.080 33.924 -0.844 18277 9996 1 12 . 1 1 110 110 VAL H H 109 7.878 7.878 8.230 -0.352 18277 9997 1 12 . 1 1 111 111 TYR N N 110 122.247 122.247 120.179 2.068 18277 9998 1 12 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.822 -0.486 18277 9999 1 12 . 1 1 111 111 TYR C C 110 173.915 173.915 172.972 0.943 18277 10000 1 12 . 1 1 111 111 TYR CA C 110 57.263 57.263 54.514 2.749 18277 10001 1 12 . 1 1 111 111 TYR CB C 110 43.222 43.222 39.880 3.342 18277 10002 1 12 . 1 1 111 111 TYR H H 110 8.317 8.317 8.039 0.278 18277 10003 1 12 . 1 1 112 112 TYR N N 111 117.096 117.096 118.449 -1.353 18277 10004 1 12 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.698 0.171 18277 10005 1 12 . 1 1 112 112 TYR C C 111 175.418 175.418 174.580 0.838 18277 10006 1 12 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.405 0.778 18277 10007 1 12 . 1 1 112 112 TYR CB C 111 38.681 38.681 39.205 -0.524 18277 10008 1 12 . 1 1 112 112 TYR H H 111 8.690 8.690 8.841 -0.151 18277 10009 1 12 . 1 1 113 113 TYR N N 112 120.208 120.208 122.925 -2.717 18277 10010 1 12 . 1 1 113 113 TYR HA H 112 4.939 4.939 5.088 -0.149 18277 10011 1 12 . 1 1 113 113 TYR C C 112 176.674 176.674 176.156 0.518 18277 10012 1 12 . 1 1 113 113 TYR CA C 112 57.567 57.567 56.963 0.604 18277 10013 1 12 . 1 1 113 113 TYR CB C 112 39.924 39.924 39.075 0.849 18277 10014 1 12 . 1 1 113 113 TYR H H 112 9.374 9.374 9.152 0.222 18277 10015 1 12 . 1 1 114 114 ILE N N 113 121.490 121.490 125.173 -3.683 18277 10016 1 12 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.002 0.819 18277 10017 1 12 . 1 1 114 114 ILE C C 113 176.329 176.329 176.136 0.193 18277 10018 1 12 . 1 1 114 114 ILE CA C 113 60.039 60.039 61.892 -1.853 18277 10019 1 12 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.355 -1.390 18277 10020 1 12 . 1 1 114 114 ILE H H 113 8.076 8.076 7.885 0.191 18277 10021 1 12 . 1 1 115 115 ASN N N 114 129.212 129.212 126.087 3.125 18277 10022 1 12 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.581 0.120 18277 10023 1 12 . 1 1 115 115 ASN C C 114 175.914 175.914 174.666 1.248 18277 10024 1 12 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.684 0.338 18277 10025 1 12 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.685 -0.136 18277 10026 1 12 . 1 1 115 115 ASN H H 114 8.959 8.959 8.203 0.756 18277 10027 1 12 . 1 1 116 116 ASN N N 115 121.613 121.613 121.588 0.025 18277 10028 1 12 . 1 1 116 116 ASN HA H 115 4.869 4.869 4.923 -0.054 18277 10029 1 12 . 1 1 116 116 ASN C C 115 178.040 178.040 174.866 3.174 18277 10030 1 12 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.871 -0.091 18277 10031 1 12 . 1 1 116 116 ASN CB C 115 39.096 39.096 38.379 0.717 18277 10032 1 12 . 1 1 116 116 ASN H H 115 8.464 8.464 8.439 0.025 18277 10033 1 12 . 1 1 117 117 CYS N N 116 120.777 120.777 116.772 4.005 18277 10034 1 12 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.994 -0.250 18277 10035 1 12 . 1 1 117 117 CYS C C 116 174.635 174.635 173.872 0.763 18277 10036 1 12 . 1 1 117 117 CYS CA C 116 60.087 60.087 58.693 1.394 18277 10037 1 12 . 1 1 117 117 CYS CB C 116 27.456 27.456 28.000 -0.544 18277 10038 1 12 . 1 1 117 117 CYS H H 116 8.256 8.256 7.970 0.286 18277 10039 1 12 . 1 1 118 118 ASP N N 117 119.926 119.926 121.125 -1.199 18277 10040 1 12 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.676 0.223 18277 10041 1 12 . 1 1 118 118 ASP C C 117 176.225 176.225 175.660 0.565 18277 10042 1 12 . 1 1 118 118 ASP CA C 117 53.410 53.410 52.974 0.436 18277 10043 1 12 . 1 1 118 118 ASP CB C 117 40.174 40.174 38.973 1.201 18277 10044 1 12 . 1 1 118 118 ASP H H 117 8.420 8.420 8.160 0.260 18277 10045 1 12 . 1 1 119 119 THR N N 118 116.185 116.185 115.568 0.617 18277 10046 1 12 . 1 1 119 119 THR HA H 118 4.315 4.315 4.219 0.096 18277 10047 1 12 . 1 1 119 119 THR C C 118 175.349 175.349 175.396 -0.047 18277 10048 1 12 . 1 1 119 119 THR CA C 118 66.029 66.029 66.189 -0.161 18277 10049 1 12 . 1 1 119 119 THR CB C 118 69.654 69.654 69.768 -0.114 18277 10050 1 12 . 1 1 119 119 THR H H 118 7.712 7.712 7.795 -0.083 18277 10051 1 12 . 1 1 120 120 ASP N N 119 120.938 120.938 121.690 -0.752 18277 10052 1 12 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.625 -0.092 18277 10053 1 12 . 1 1 120 120 ASP C C 119 177.991 177.991 177.695 0.296 18277 10054 1 12 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.181 -0.275 18277 10055 1 12 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.620 0.317 18277 10056 1 12 . 1 1 120 120 ASP H H 119 8.730 8.730 8.793 -0.063 18277 10057 1 12 . 1 1 121 121 ALA N N 120 122.818 122.818 118.936 3.882 18277 10058 1 12 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.322 -0.144 18277 10059 1 12 . 1 1 121 121 ALA C C 120 178.787 178.787 178.128 0.659 18277 10060 1 12 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.655 0.236 18277 10061 1 12 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.804 -0.333 18277 10062 1 12 . 1 1 121 121 ALA H H 120 8.033 8.033 8.354 -0.321 18277 10063 1 12 . 1 1 122 122 ASN N N 121 116.085 116.085 117.210 -1.125 18277 10064 1 12 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.764 -0.130 18277 10065 1 12 . 1 1 122 122 ASN C C 121 176.235 176.235 177.112 -0.877 18277 10066 1 12 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.534 -0.038 18277 10067 1 12 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.609 -0.720 18277 10068 1 12 . 1 1 122 122 ASN H H 121 8.128 8.128 8.017 0.111 18277 10069 1 12 . 1 1 123 123 VAL N N 122 117.803 117.803 119.618 -1.815 18277 10070 1 12 . 1 1 123 123 VAL HA H 122 3.962 3.962 4.067 -0.105 18277 10071 1 12 . 1 1 123 123 VAL C C 122 176.973 176.973 177.417 -0.444 18277 10072 1 12 . 1 1 123 123 VAL CA C 122 63.916 63.916 63.925 -0.009 18277 10073 1 12 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.779 0.116 18277 10074 1 12 . 1 1 123 123 VAL H H 122 8.262 8.262 8.316 -0.054 18277 10075 1 12 . 1 1 124 124 GLY N N 123 110.472 110.472 106.821 3.651 18277 10076 1 12 . 1 1 124 124 GLY C C 123 174.107 174.107 174.117 -0.010 18277 10077 1 12 . 1 1 124 124 GLY CA C 123 45.401 45.401 45.834 -0.433 18277 10078 1 12 . 1 1 124 124 GLY H H 123 8.172 8.172 7.928 0.244 18277 10079 1 12 . 1 1 125 125 SER N N 124 113.065 113.065 116.148 -3.083 18277 10080 1 12 . 1 1 125 125 SER HA H 124 4.529 4.529 4.319 0.210 18277 10081 1 12 . 1 1 125 125 SER C C 124 174.664 174.664 174.818 -0.154 18277 10082 1 12 . 1 1 125 125 SER CA C 124 58.981 58.981 58.753 0.228 18277 10083 1 12 . 1 1 125 125 SER CB C 124 64.492 64.492 63.709 0.783 18277 10084 1 12 . 1 1 125 125 SER H H 124 8.139 8.139 7.995 0.144 18277 10085 1 12 . 1 1 126 126 ASP N N 125 121.312 121.312 122.339 -1.027 18277 10086 1 12 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.440 0.267 18277 10087 1 12 . 1 1 126 126 ASP C C 125 177.029 177.029 176.591 0.438 18277 10088 1 12 . 1 1 126 126 ASP CA C 125 54.232 54.232 54.645 -0.413 18277 10089 1 12 . 1 1 126 126 ASP CB C 125 40.878 40.878 41.555 -0.677 18277 10090 1 12 . 1 1 126 126 ASP H H 125 8.146 8.146 8.505 -0.359 18277 10091 1 12 . 1 1 127 127 VAL N N 126 123.444 123.444 117.935 5.509 18277 10092 1 12 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.852 -0.026 18277 10093 1 12 . 1 1 127 127 VAL C C 126 177.304 177.304 177.593 -0.289 18277 10094 1 12 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.811 1.088 18277 10095 1 12 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.725 0.497 18277 10096 1 12 . 1 1 127 127 VAL H H 126 8.474 8.474 8.162 0.312 18277 10097 1 12 . 1 1 128 128 GLU N N 127 120.874 120.874 120.303 0.571 18277 10098 1 12 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.208 -0.275 18277 10099 1 12 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.760 -0.100 18277 10100 1 12 . 1 1 128 128 GLU CB C 127 29.080 29.080 30.000 -0.920 18277 10101 1 12 . 1 1 128 128 GLU H H 127 8.504 8.504 8.450 0.054 18277 10102 1 12 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.893 -0.144 18277 10103 1 12 . 1 1 129 129 HIS C C 128 174.898 174.898 174.795 0.103 18277 10104 1 12 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.896 1.552 18277 10105 1 12 . 1 1 129 129 HIS CB C 128 29.045 29.045 29.375 -0.330 18277 10106 1 12 . 1 1 130 130 TYR N N 129 122.615 122.615 122.296 0.319 18277 10107 1 12 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.405 -0.405 18277 10108 1 12 . 1 1 130 130 TYR C C 129 178.544 178.544 176.906 1.638 18277 10109 1 12 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.337 0.771 18277 10110 1 12 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.791 0.751 18277 10111 1 12 . 1 1 130 130 TYR H H 129 8.118 8.118 8.068 0.050 18277 10112 1 12 . 1 1 131 131 LEU N N 130 116.037 116.037 117.427 -1.390 18277 10113 1 12 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.280 0.069 18277 10114 1 12 . 1 1 131 131 LEU C C 130 179.368 179.368 179.052 0.316 18277 10115 1 12 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.702 1.114 18277 10116 1 12 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.985 0.384 18277 10117 1 12 . 1 1 131 131 LEU H H 130 9.092 9.092 8.561 0.531 18277 10118 1 12 . 1 1 132 132 THR N N 131 113.629 113.629 109.272 4.357 18277 10119 1 12 . 1 1 132 132 THR HA H 131 4.007 4.007 4.232 -0.225 18277 10120 1 12 . 1 1 132 132 THR C C 131 177.255 177.255 176.396 0.859 18277 10121 1 12 . 1 1 132 132 THR CA C 131 66.505 66.505 64.702 1.803 18277 10122 1 12 . 1 1 132 132 THR CB C 131 68.052 68.052 68.382 -0.330 18277 10123 1 12 . 1 1 132 132 THR H H 131 8.129 8.129 8.007 0.122 18277 10124 1 12 . 1 1 133 133 ARG N N 132 124.720 124.720 121.629 3.091 18277 10125 1 12 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.306 -0.190 18277 10126 1 12 . 1 1 133 133 ARG C C 132 178.921 178.921 176.486 2.435 18277 10127 1 12 . 1 1 133 133 ARG CA C 132 60.037 60.037 57.773 2.264 18277 10128 1 12 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.176 0.098 18277 10129 1 12 . 1 1 133 133 ARG H H 132 8.187 8.187 8.220 -0.033 18277 10130 1 12 . 1 1 134 134 TRP N N 133 120.307 120.307 118.739 1.568 18277 10131 1 12 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.428 -0.201 18277 10132 1 12 . 1 1 134 134 TRP C C 133 177.823 177.823 176.898 0.925 18277 10133 1 12 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.314 3.156 18277 10134 1 12 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.068 -1.313 18277 10135 1 12 . 1 1 134 134 TRP H H 133 9.167 9.167 8.215 0.952 18277 10136 1 12 . 1 1 135 135 ILE N N 134 117.595 117.595 120.287 -2.692 18277 10137 1 12 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.300 0.283 18277 10138 1 12 . 1 1 135 135 ILE C C 134 176.333 176.333 176.855 -0.522 18277 10139 1 12 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.533 -2.825 18277 10140 1 12 . 1 1 135 135 ILE CB C 134 37.133 37.133 37.977 -0.845 18277 10141 1 12 . 1 1 135 135 ILE H H 134 9.000 9.000 7.586 1.414 18277 10142 1 12 . 1 1 136 136 SER N N 135 116.548 116.548 113.314 3.234 18277 10143 1 12 . 1 1 136 136 SER HA H 135 3.931 3.931 3.817 0.114 18277 10144 1 12 . 1 1 136 136 SER C C 135 174.339 174.339 175.187 -0.848 18277 10145 1 12 . 1 1 136 136 SER CA C 135 62.535 62.535 59.280 3.255 18277 10146 1 12 . 1 1 136 136 SER CB C 135 62.820 62.820 62.520 0.299 18277 10147 1 12 . 1 1 136 136 SER H H 135 7.592 7.592 7.544 0.048 18277 10148 1 12 . 1 1 137 137 LEU N N 136 119.693 119.693 120.930 -1.237 18277 10149 1 12 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.311 -0.114 18277 10150 1 12 . 1 1 137 137 LEU C C 136 178.376 178.376 177.010 1.366 18277 10151 1 12 . 1 1 137 137 LEU CA C 136 57.116 57.116 57.092 0.024 18277 10152 1 12 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.623 0.365 18277 10153 1 12 . 1 1 137 137 LEU H H 136 7.247 7.247 7.360 -0.113 18277 10154 1 12 . 1 1 138 138 TYR N N 137 116.295 116.295 116.537 -0.242 18277 10155 1 12 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.080 -0.436 18277 10156 1 12 . 1 1 138 138 TYR C C 137 178.142 178.142 177.253 0.889 18277 10157 1 12 . 1 1 138 138 TYR CA C 137 61.396 61.396 57.852 3.545 18277 10158 1 12 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.233 -0.326 18277 10159 1 12 . 1 1 138 138 TYR H H 137 8.057 8.057 7.428 0.629 18277 10160 1 12 . 1 1 139 139 ILE N N 138 117.755 117.755 121.345 -3.590 18277 10161 1 12 . 1 1 139 139 ILE HA H 138 3.818 3.818 2.413 1.405 18277 10162 1 12 . 1 1 139 139 ILE C C 138 176.943 176.943 177.164 -0.221 18277 10163 1 12 . 1 1 139 139 ILE CA C 138 61.684 61.684 62.450 -0.766 18277 10164 1 12 . 1 1 139 139 ILE CB C 138 36.768 36.768 36.439 0.329 18277 10165 1 12 . 1 1 139 139 ILE H H 138 8.371 8.371 7.465 0.906 18277 10166 1 12 . 1 1 140 140 ARG N N 139 118.103 118.103 117.985 0.118 18277 10167 1 12 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.251 -0.176 18277 10168 1 12 . 1 1 140 140 ARG C C 139 176.776 176.776 177.759 -0.983 18277 10169 1 12 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.804 -1.275 18277 10170 1 12 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.896 -0.055 18277 10171 1 12 . 1 1 140 140 ARG H H 139 6.762 6.762 7.803 -1.041 18277 10172 1 12 . 1 1 141 141 ILE N N 140 117.603 117.603 117.791 -0.188 18277 10173 1 12 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.996 -0.225 18277 10174 1 12 . 1 1 141 141 ILE C C 140 176.448 176.448 177.111 -0.663 18277 10175 1 12 . 1 1 141 141 ILE CA C 140 63.370 63.370 63.950 -0.580 18277 10176 1 12 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.837 0.982 18277 10177 1 12 . 1 1 141 141 ILE H H 140 7.056 7.056 8.304 -1.248 18277 10178 1 12 . 1 1 142 142 PHE N N 141 114.969 114.969 117.911 -2.942 18277 10179 1 12 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.629 -0.235 18277 10180 1 12 . 1 1 142 142 PHE C C 141 175.503 175.503 176.001 -0.498 18277 10181 1 12 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.824 -0.698 18277 10182 1 12 . 1 1 142 142 PHE CB C 141 40.438 40.438 40.958 -0.520 18277 10183 1 12 . 1 1 142 142 PHE H H 141 7.287 7.287 7.841 -0.554 18277 10184 1 12 . 1 1 143 143 ASP N N 142 116.492 116.492 118.878 -2.386 18277 10185 1 12 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.935 -0.190 18277 10186 1 12 . 1 1 143 143 ASP C C 142 175.131 175.131 175.175 -0.044 18277 10187 1 12 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.697 0.316 18277 10188 1 12 . 1 1 143 143 ASP CB C 142 42.996 42.996 43.198 -0.202 18277 10189 1 12 . 1 1 143 143 ASP H H 142 7.697 7.697 8.110 -0.413 18277 10190 1 12 . 1 1 144 144 LEU N N 143 126.435 126.435 126.114 0.321 18277 10191 1 12 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.445 -0.259 18277 10192 1 12 . 1 1 144 144 LEU C C 143 177.297 177.297 177.030 0.267 18277 10193 1 12 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.609 1.331 18277 10194 1 12 . 1 1 144 144 LEU CB C 143 42.609 42.609 42.303 0.306 18277 10195 1 12 . 1 1 144 144 LEU H H 143 8.790 8.790 8.820 -0.030 18277 10196 1 12 . 1 1 145 145 ASN N N 144 114.711 114.711 117.485 -2.774 18277 10197 1 12 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.797 0.026 18277 10198 1 12 . 1 1 145 145 ASN C C 144 174.879 174.879 174.231 0.648 18277 10199 1 12 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.979 -0.828 18277 10200 1 12 . 1 1 145 145 ASN CB C 144 39.695 39.695 39.974 -0.279 18277 10201 1 12 . 1 1 145 145 ASN H H 144 8.569 8.569 8.425 0.144 18277 10202 1 12 . 1 1 146 146 PHE N N 145 121.472 121.472 121.781 -0.309 18277 10203 1 12 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.491 0.018 18277 10204 1 12 . 1 1 146 146 PHE C C 145 173.397 173.397 174.002 -0.605 18277 10205 1 12 . 1 1 146 146 PHE CA C 145 57.895 57.895 55.831 2.064 18277 10206 1 12 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.215 0.772 18277 10207 1 12 . 1 1 146 146 PHE H H 145 7.214 7.214 7.922 -0.708 18277 10208 1 12 . 1 1 147 147 VAL N N 146 128.813 128.813 126.202 2.611 18277 10209 1 12 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.490 -0.418 18277 10210 1 12 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.652 1.046 18277 10211 1 12 . 1 1 147 147 VAL CB C 146 33.469 33.469 30.737 2.732 18277 10212 1 12 . 1 1 147 147 VAL H H 146 7.666 7.666 8.207 -0.541 18277 10213 1 13 . 1 1 2 2 MET N N 1 121.461 121.461 119.961 1.500 18277 10214 1 13 . 1 1 2 2 MET HA H 1 4.581 4.581 4.663 -0.082 18277 10215 1 13 . 1 1 2 2 MET C C 1 175.184 175.184 175.803 -0.619 18277 10216 1 13 . 1 1 2 2 MET CA C 1 55.447 55.447 55.074 0.373 18277 10217 1 13 . 1 1 2 2 MET CB C 1 34.107 34.107 33.734 0.373 18277 10218 1 13 . 1 1 2 2 MET H H 1 8.431 8.431 8.427 0.004 18277 10219 1 13 . 1 1 3 3 LEU N N 2 123.575 123.575 123.887 -0.312 18277 10220 1 13 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.248 0.222 18277 10221 1 13 . 1 1 3 3 LEU C C 2 176.479 176.479 176.628 -0.149 18277 10222 1 13 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.733 -1.189 18277 10223 1 13 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.894 1.306 18277 10224 1 13 . 1 1 3 3 LEU H H 2 8.678 8.678 7.671 1.007 18277 10225 1 13 . 1 1 4 4 THR N N 3 119.326 119.326 117.438 1.888 18277 10226 1 13 . 1 1 4 4 THR HA H 3 4.398 4.398 4.742 -0.344 18277 10227 1 13 . 1 1 4 4 THR C C 3 173.920 173.920 175.760 -1.840 18277 10228 1 13 . 1 1 4 4 THR CA C 3 61.025 61.025 60.371 0.654 18277 10229 1 13 . 1 1 4 4 THR CB C 3 71.090 71.090 70.209 0.881 18277 10230 1 13 . 1 1 4 4 THR H H 3 8.541 8.541 7.761 0.780 18277 10231 1 13 . 1 1 5 5 LEU N N 4 122.107 122.107 120.698 1.409 18277 10232 1 13 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.726 -0.438 18277 10233 1 13 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.536 0.555 18277 10234 1 13 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.766 0.040 18277 10235 1 13 . 1 1 5 5 LEU H H 4 8.777 8.777 8.568 0.209 18277 10236 1 13 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.393 -0.047 18277 10237 1 13 . 1 1 6 6 PRO C C 5 179.812 179.812 177.658 2.154 18277 10238 1 13 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.975 1.285 18277 10239 1 13 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.142 -0.083 18277 10240 1 13 . 1 1 7 7 GLU N N 6 117.744 117.744 117.346 0.398 18277 10241 1 13 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.235 -0.209 18277 10242 1 13 . 1 1 7 7 GLU C C 6 178.359 178.359 177.448 0.911 18277 10243 1 13 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.440 0.663 18277 10244 1 13 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.300 -0.030 18277 10245 1 13 . 1 1 7 7 GLU H H 6 7.088 7.088 7.882 -0.794 18277 10246 1 13 . 1 1 8 8 TYR N N 7 120.825 120.825 119.617 1.208 18277 10247 1 13 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.372 -0.477 18277 10248 1 13 . 1 1 8 8 TYR C C 7 176.641 176.641 177.552 -0.911 18277 10249 1 13 . 1 1 8 8 TYR CA C 7 61.519 61.519 60.192 1.327 18277 10250 1 13 . 1 1 8 8 TYR CB C 7 37.727 37.727 38.949 -1.222 18277 10251 1 13 . 1 1 8 8 TYR H H 7 8.310 8.310 7.981 0.329 18277 10252 1 13 . 1 1 9 9 ASN N N 8 118.086 118.086 118.640 -0.554 18277 10253 1 13 . 1 1 9 9 ASN HA H 8 4.318 4.318 3.980 0.338 18277 10254 1 13 . 1 1 9 9 ASN C C 8 179.060 179.060 177.235 1.825 18277 10255 1 13 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.447 0.327 18277 10256 1 13 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.758 0.551 18277 10257 1 13 . 1 1 9 9 ASN H H 8 8.791 8.791 8.606 0.185 18277 10258 1 13 . 1 1 10 10 GLU N N 9 120.057 120.057 118.821 1.236 18277 10259 1 13 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.242 -0.129 18277 10260 1 13 . 1 1 10 10 GLU C C 9 177.853 177.853 177.153 0.700 18277 10261 1 13 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.464 0.042 18277 10262 1 13 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.679 -0.038 18277 10263 1 13 . 1 1 10 10 GLU H H 9 8.013 8.013 8.400 -0.387 18277 10264 1 13 . 1 1 11 11 GLN N N 10 116.468 116.468 117.299 -0.831 18277 10265 1 13 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.506 -0.056 18277 10266 1 13 . 1 1 11 11 GLN C C 10 177.470 177.470 176.336 1.134 18277 10267 1 13 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.738 1.259 18277 10268 1 13 . 1 1 11 11 GLN CB C 10 30.725 30.725 28.878 1.847 18277 10269 1 13 . 1 1 11 11 GLN H H 10 7.488 7.488 7.731 -0.243 18277 10270 1 13 . 1 1 12 12 ILE N N 11 124.393 124.393 122.040 2.353 18277 10271 1 13 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.716 0.112 18277 10272 1 13 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.887 -2.381 18277 10273 1 13 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.157 -0.899 18277 10274 1 13 . 1 1 12 12 ILE H H 11 7.605 7.605 6.941 0.664 18277 10275 1 13 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.514 -0.277 18277 10276 1 13 . 1 1 13 13 PRO C C 12 179.113 179.113 177.007 2.106 18277 10277 1 13 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.543 1.884 18277 10278 1 13 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.794 0.283 18277 10279 1 13 . 1 1 14 14 ASN N N 13 115.499 115.499 117.487 -1.988 18277 10280 1 13 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.755 -0.163 18277 10281 1 13 . 1 1 14 14 ASN C C 13 178.208 178.208 177.216 0.992 18277 10282 1 13 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.782 1.009 18277 10283 1 13 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.715 -0.671 18277 10284 1 13 . 1 1 14 14 ASN H H 13 7.793 7.793 8.124 -0.331 18277 10285 1 13 . 1 1 15 15 VAL N N 14 121.205 121.205 121.389 -0.184 18277 10286 1 13 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.775 -0.075 18277 10287 1 13 . 1 1 15 15 VAL C C 14 176.999 176.999 177.676 -0.677 18277 10288 1 13 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.955 -0.411 18277 10289 1 13 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.639 -0.214 18277 10290 1 13 . 1 1 15 15 VAL H H 14 7.704 7.704 8.032 -0.328 18277 10291 1 13 . 1 1 16 16 ARG N N 15 121.067 121.067 119.136 1.931 18277 10292 1 13 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.142 -0.428 18277 10293 1 13 . 1 1 16 16 ARG C C 15 178.150 178.150 178.333 -0.183 18277 10294 1 13 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.644 0.876 18277 10295 1 13 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.510 0.705 18277 10296 1 13 . 1 1 16 16 ARG H H 15 8.855 8.855 7.848 1.007 18277 10297 1 13 . 1 1 17 17 SER N N 16 112.741 112.741 115.698 -2.957 18277 10298 1 13 . 1 1 17 17 SER HA H 16 4.245 4.245 4.276 -0.031 18277 10299 1 13 . 1 1 17 17 SER C C 16 177.177 177.177 175.840 1.337 18277 10300 1 13 . 1 1 17 17 SER CA C 16 61.756 61.756 61.188 0.568 18277 10301 1 13 . 1 1 17 17 SER CB C 16 62.785 62.785 62.863 -0.078 18277 10302 1 13 . 1 1 17 17 SER H H 16 7.987 7.987 7.779 0.208 18277 10303 1 13 . 1 1 18 18 LEU N N 17 122.703 122.703 117.082 5.621 18277 10304 1 13 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.538 -0.281 18277 10305 1 13 . 1 1 18 18 LEU C C 17 179.350 179.350 179.050 0.300 18277 10306 1 13 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.043 1.441 18277 10307 1 13 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.224 1.251 18277 10308 1 13 . 1 1 18 18 LEU H H 17 7.728 7.728 7.426 0.302 18277 10309 1 13 . 1 1 19 19 LEU N N 18 116.536 116.536 122.628 -6.092 18277 10310 1 13 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.481 -0.250 18277 10311 1 13 . 1 1 19 19 LEU C C 18 178.556 178.556 178.685 -0.129 18277 10312 1 13 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.834 -0.559 18277 10313 1 13 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.139 0.577 18277 10314 1 13 . 1 1 19 19 LEU H H 18 8.367 8.367 8.869 -0.502 18277 10315 1 13 . 1 1 20 20 THR N N 19 111.172 111.172 110.446 0.726 18277 10316 1 13 . 1 1 20 20 THR HA H 19 4.072 4.072 4.006 0.066 18277 10317 1 13 . 1 1 20 20 THR C C 19 175.433 175.433 175.770 -0.337 18277 10318 1 13 . 1 1 20 20 THR CA C 19 65.421 65.421 65.221 0.200 18277 10319 1 13 . 1 1 20 20 THR CB C 19 69.541 69.541 68.293 1.248 18277 10320 1 13 . 1 1 20 20 THR H H 19 7.926 7.926 8.264 -0.338 18277 10321 1 13 . 1 1 21 21 LYS N N 20 117.696 117.696 119.683 -1.987 18277 10322 1 13 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.041 0.310 18277 10323 1 13 . 1 1 21 21 LYS C C 20 176.229 176.229 177.223 -0.994 18277 10324 1 13 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.957 -0.443 18277 10325 1 13 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.278 0.071 18277 10326 1 13 . 1 1 21 21 LYS H H 20 7.350 7.350 7.593 -0.243 18277 10327 1 13 . 1 1 22 22 TRP N N 21 123.258 123.258 121.636 1.622 18277 10328 1 13 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.828 0.940 18277 10329 1 13 . 1 1 22 22 TRP C C 21 177.333 177.333 176.524 0.809 18277 10330 1 13 . 1 1 22 22 TRP CA C 21 54.466 54.466 57.186 -2.720 18277 10331 1 13 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.823 0.059 18277 10332 1 13 . 1 1 22 22 TRP H H 21 7.710 7.710 7.332 0.378 18277 10333 1 13 . 1 1 23 23 ALA N N 22 133.336 133.336 128.418 4.918 18277 10334 1 13 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.292 -0.146 18277 10335 1 13 . 1 1 23 23 ALA C C 22 177.467 177.467 177.172 0.295 18277 10336 1 13 . 1 1 23 23 ALA CA C 22 54.855 54.855 52.779 2.076 18277 10337 1 13 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.470 -0.506 18277 10338 1 13 . 1 1 23 23 ALA H H 22 9.658 9.658 9.047 0.611 18277 10339 1 13 . 1 1 24 24 LYS N N 23 111.352 111.352 117.010 -5.658 18277 10340 1 13 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.093 -0.093 18277 10341 1 13 . 1 1 24 24 LYS C C 23 175.467 175.467 175.709 -0.242 18277 10342 1 13 . 1 1 24 24 LYS CA C 23 56.522 56.522 56.478 0.044 18277 10343 1 13 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.660 0.646 18277 10344 1 13 . 1 1 24 24 LYS H H 23 5.756 5.756 7.723 -1.967 18277 10345 1 13 . 1 1 25 25 VAL N N 24 119.937 119.937 118.242 1.695 18277 10346 1 13 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.567 -0.189 18277 10347 1 13 . 1 1 25 25 VAL C C 24 175.634 175.634 175.869 -0.235 18277 10348 1 13 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.454 1.009 18277 10349 1 13 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.076 0.945 18277 10350 1 13 . 1 1 25 25 VAL H H 24 7.179 7.179 7.200 -0.021 18277 10351 1 13 . 1 1 26 26 GLU N N 25 127.218 127.218 127.754 -0.536 18277 10352 1 13 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.342 0.066 18277 10353 1 13 . 1 1 26 26 GLU C C 25 176.448 176.448 176.443 0.005 18277 10354 1 13 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.472 0.504 18277 10355 1 13 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.910 -0.504 18277 10356 1 13 . 1 1 26 26 GLU H H 25 9.017 9.017 8.606 0.411 18277 10357 1 13 . 1 1 27 27 ARG N N 26 117.397 117.397 120.200 -2.803 18277 10358 1 13 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.578 -0.051 18277 10359 1 13 . 1 1 27 27 ARG C C 26 173.508 173.508 173.923 -0.415 18277 10360 1 13 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.662 1.554 18277 10361 1 13 . 1 1 27 27 ARG CB C 26 33.963 33.963 33.505 0.458 18277 10362 1 13 . 1 1 27 27 ARG H H 26 7.521 7.521 7.473 0.048 18277 10363 1 13 . 1 1 28 28 ILE N N 27 123.297 123.297 123.336 -0.039 18277 10364 1 13 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.369 0.312 18277 10365 1 13 . 1 1 28 28 ILE C C 27 173.872 173.872 174.340 -0.468 18277 10366 1 13 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.603 0.487 18277 10367 1 13 . 1 1 28 28 ILE CB C 27 40.685 40.685 39.350 1.335 18277 10368 1 13 . 1 1 28 28 ILE H H 27 8.662 8.662 8.400 0.262 18277 10369 1 13 . 1 1 29 29 GLN N N 28 125.810 125.810 127.726 -1.916 18277 10370 1 13 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.737 0.015 18277 10371 1 13 . 1 1 29 29 GLN C C 28 174.329 174.329 173.871 0.458 18277 10372 1 13 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.107 -0.038 18277 10373 1 13 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.301 -0.359 18277 10374 1 13 . 1 1 29 29 GLN H H 28 9.282 9.282 8.787 0.495 18277 10375 1 13 . 1 1 30 30 ASP N N 29 125.001 125.001 121.487 3.514 18277 10376 1 13 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.856 0.030 18277 10377 1 13 . 1 1 30 30 ASP C C 29 175.522 175.522 174.876 0.646 18277 10378 1 13 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.609 2.847 18277 10379 1 13 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.726 -2.403 18277 10380 1 13 . 1 1 30 30 ASP H H 29 8.666 8.666 8.468 0.198 18277 10381 1 13 . 1 1 31 31 VAL N N 30 116.978 116.978 113.311 3.667 18277 10382 1 13 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.583 0.061 18277 10383 1 13 . 1 1 31 31 VAL C C 30 175.448 175.448 174.424 1.024 18277 10384 1 13 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.439 -0.261 18277 10385 1 13 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.622 0.502 18277 10386 1 13 . 1 1 31 31 VAL H H 30 7.784 7.784 8.250 -0.466 18277 10387 1 13 . 1 1 32 32 GLN N N 31 121.763 121.763 122.505 -0.742 18277 10388 1 13 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.171 -0.138 18277 10389 1 13 . 1 1 32 32 GLN C C 31 176.620 176.620 175.626 0.994 18277 10390 1 13 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.262 0.921 18277 10391 1 13 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.141 -0.099 18277 10392 1 13 . 1 1 32 32 GLN H H 31 8.515 8.515 8.619 -0.104 18277 10393 1 13 . 1 1 33 33 ASP N N 32 121.199 121.199 121.542 -0.343 18277 10394 1 13 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.609 0.366 18277 10395 1 13 . 1 1 33 33 ASP C C 32 176.998 176.998 174.807 2.191 18277 10396 1 13 . 1 1 33 33 ASP CA C 32 55.528 55.528 55.150 0.378 18277 10397 1 13 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.031 1.628 18277 10398 1 13 . 1 1 33 33 ASP H H 32 9.134 9.134 8.421 0.713 18277 10399 1 13 . 1 1 34 34 GLY N N 33 106.691 106.691 102.523 4.168 18277 10400 1 13 . 1 1 34 34 GLY C C 33 171.453 171.453 171.882 -0.429 18277 10401 1 13 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.882 1.483 18277 10402 1 13 . 1 1 34 34 GLY H H 33 8.104 8.104 7.763 0.341 18277 10403 1 13 . 1 1 35 35 LEU N N 34 119.801 119.801 119.736 0.065 18277 10404 1 13 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.722 0.561 18277 10405 1 13 . 1 1 35 35 LEU C C 34 174.568 174.568 173.861 0.707 18277 10406 1 13 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.132 -1.564 18277 10407 1 13 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.033 2.239 18277 10408 1 13 . 1 1 35 35 LEU H H 34 8.491 8.491 8.079 0.412 18277 10409 1 13 . 1 1 36 36 GLN N N 35 121.349 121.349 122.300 -0.951 18277 10410 1 13 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.364 -0.147 18277 10411 1 13 . 1 1 36 36 GLN C C 35 174.530 174.530 174.075 0.455 18277 10412 1 13 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.099 0.665 18277 10413 1 13 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.373 0.107 18277 10414 1 13 . 1 1 36 36 GLN H H 35 8.992 8.992 8.885 0.107 18277 10415 1 13 . 1 1 37 37 LEU N N 36 126.882 126.882 127.434 -0.552 18277 10416 1 13 . 1 1 37 37 LEU HA H 36 5.358 5.358 4.871 0.487 18277 10417 1 13 . 1 1 37 37 LEU C C 36 174.519 174.519 175.556 -1.037 18277 10418 1 13 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.701 1.230 18277 10419 1 13 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.621 0.630 18277 10420 1 13 . 1 1 37 37 LEU H H 36 9.826 9.826 8.772 1.054 18277 10421 1 13 . 1 1 38 38 ASP N N 37 122.748 122.748 123.514 -0.766 18277 10422 1 13 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.910 0.539 18277 10423 1 13 . 1 1 38 38 ASP C C 37 175.197 175.197 175.169 0.028 18277 10424 1 13 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.216 0.163 18277 10425 1 13 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.019 1.043 18277 10426 1 13 . 1 1 38 38 ASP H H 37 8.556 8.556 8.046 0.510 18277 10427 1 13 . 1 1 39 39 VAL N N 38 124.835 124.835 123.057 1.778 18277 10428 1 13 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.678 0.463 18277 10429 1 13 . 1 1 39 39 VAL C C 38 174.081 174.081 175.326 -1.245 18277 10430 1 13 . 1 1 39 39 VAL CA C 38 60.442 60.442 61.212 -0.770 18277 10431 1 13 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.089 2.505 18277 10432 1 13 . 1 1 39 39 VAL H H 38 9.495 9.495 8.439 1.056 18277 10433 1 13 . 1 1 40 40 ARG N N 39 131.221 131.221 126.815 4.406 18277 10434 1 13 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.576 -0.060 18277 10435 1 13 . 1 1 40 40 ARG C C 39 174.144 174.144 175.943 -1.799 18277 10436 1 13 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.486 0.018 18277 10437 1 13 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.704 -0.585 18277 10438 1 13 . 1 1 40 40 ARG H H 39 9.046 9.046 8.002 1.044 18277 10439 1 13 . 1 1 41 41 LEU N N 40 129.501 129.501 122.005 7.496 18277 10440 1 13 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.056 -0.030 18277 10441 1 13 . 1 1 41 41 LEU C C 40 176.934 176.934 177.093 -0.159 18277 10442 1 13 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.173 0.690 18277 10443 1 13 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.468 1.280 18277 10444 1 13 . 1 1 41 41 LEU H H 40 7.786 7.786 8.529 -0.743 18277 10445 1 13 . 1 1 42 42 LYS N N 41 112.553 112.553 114.780 -2.227 18277 10446 1 13 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.440 0.254 18277 10447 1 13 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.360 -1.181 18277 10448 1 13 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.053 0.949 18277 10449 1 13 . 1 1 42 42 LYS H H 41 8.313 8.313 7.244 1.069 18277 10450 1 13 . 1 1 43 43 THR HA H 42 3.860 3.860 4.148 -0.288 18277 10451 1 13 . 1 1 43 43 THR C C 42 174.883 174.883 174.495 0.388 18277 10452 1 13 . 1 1 43 43 THR CA C 42 66.494 66.494 64.960 1.534 18277 10453 1 13 . 1 1 43 43 THR CB C 42 68.508 68.508 68.706 -0.198 18277 10454 1 13 . 1 1 44 44 ASP N N 43 114.795 114.795 118.129 -3.334 18277 10455 1 13 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.944 -0.115 18277 10456 1 13 . 1 1 44 44 ASP C C 43 176.791 176.791 174.894 1.897 18277 10457 1 13 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.842 -0.920 18277 10458 1 13 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.572 0.498 18277 10459 1 13 . 1 1 44 44 ASP H H 43 7.759 7.759 8.230 -0.471 18277 10460 1 13 . 1 1 45 45 THR N N 44 115.323 115.323 116.434 -1.111 18277 10461 1 13 . 1 1 45 45 THR HA H 44 5.303 5.303 4.744 0.559 18277 10462 1 13 . 1 1 45 45 THR C C 44 171.480 171.480 173.022 -1.542 18277 10463 1 13 . 1 1 45 45 THR CA C 44 62.732 62.732 61.637 1.095 18277 10464 1 13 . 1 1 45 45 THR CB C 44 72.378 72.378 72.124 0.254 18277 10465 1 13 . 1 1 45 45 THR H H 44 7.551 7.551 8.056 -0.505 18277 10466 1 13 . 1 1 46 46 LEU N N 45 130.323 130.323 125.860 4.463 18277 10467 1 13 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.070 -0.116 18277 10468 1 13 . 1 1 46 46 LEU C C 45 174.048 174.048 173.860 0.188 18277 10469 1 13 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.730 -0.373 18277 10470 1 13 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.229 -0.494 18277 10471 1 13 . 1 1 46 46 LEU H H 45 9.590 9.590 8.617 0.973 18277 10472 1 13 . 1 1 47 47 LEU N N 46 127.468 127.468 128.171 -0.703 18277 10473 1 13 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.078 0.072 18277 10474 1 13 . 1 1 47 47 LEU C C 46 173.309 173.309 174.997 -1.688 18277 10475 1 13 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.426 0.161 18277 10476 1 13 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.728 1.393 18277 10477 1 13 . 1 1 47 47 LEU H H 46 9.673 9.673 9.159 0.514 18277 10478 1 13 . 1 1 48 48 GLU N N 47 131.371 131.371 127.745 3.626 18277 10479 1 13 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.789 0.433 18277 10480 1 13 . 1 1 48 48 GLU C C 47 173.970 173.970 174.993 -1.023 18277 10481 1 13 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.349 -1.676 18277 10482 1 13 . 1 1 48 48 GLU CB C 47 31.910 31.910 31.046 0.864 18277 10483 1 13 . 1 1 48 48 GLU H H 47 9.400 9.400 8.504 0.896 18277 10484 1 13 . 1 1 49 49 LEU N N 48 129.742 129.742 127.212 2.530 18277 10485 1 13 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.547 0.440 18277 10486 1 13 . 1 1 49 49 LEU C C 48 174.115 174.115 174.677 -0.562 18277 10487 1 13 . 1 1 49 49 LEU CA C 48 54.673 54.673 53.849 0.824 18277 10488 1 13 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.902 0.736 18277 10489 1 13 . 1 1 49 49 LEU H H 48 9.433 9.433 8.124 1.309 18277 10490 1 13 . 1 1 50 50 HIS N N 49 126.356 126.356 122.130 4.226 18277 10491 1 13 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.977 -0.557 18277 10492 1 13 . 1 1 50 50 HIS C C 49 174.293 174.293 174.361 -0.068 18277 10493 1 13 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.304 2.322 18277 10494 1 13 . 1 1 50 50 HIS CB C 49 33.850 33.850 34.070 -0.220 18277 10495 1 13 . 1 1 50 50 HIS H H 49 9.575 9.575 8.686 0.889 18277 10496 1 13 . 1 1 51 51 ILE N N 50 123.679 123.679 122.107 1.572 18277 10497 1 13 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.966 0.280 18277 10498 1 13 . 1 1 51 51 ILE C C 50 175.021 175.021 173.449 1.572 18277 10499 1 13 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.057 1.535 18277 10500 1 13 . 1 1 51 51 ILE CB C 50 40.771 40.771 41.202 -0.431 18277 10501 1 13 . 1 1 51 51 ILE H H 50 8.991 8.991 8.386 0.605 18277 10502 1 13 . 1 1 52 52 TYR N N 51 126.281 126.281 125.715 0.566 18277 10503 1 13 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.432 0.039 18277 10504 1 13 . 1 1 52 52 TYR C C 51 171.145 171.145 173.488 -2.343 18277 10505 1 13 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.229 0.383 18277 10506 1 13 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.769 0.352 18277 10507 1 13 . 1 1 52 52 TYR H H 51 9.189 9.189 7.777 1.412 18277 10508 1 13 . 1 1 53 53 TYR N N 52 120.025 120.025 124.729 -4.704 18277 10509 1 13 . 1 1 53 53 TYR HA H 52 3.807 3.807 3.899 -0.092 18277 10510 1 13 . 1 1 53 53 TYR C C 52 173.874 173.874 174.241 -0.367 18277 10511 1 13 . 1 1 53 53 TYR CA C 52 56.962 56.962 59.242 -2.280 18277 10512 1 13 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.078 0.466 18277 10513 1 13 . 1 1 53 53 TYR H H 52 7.985 7.985 8.571 -0.586 18277 10514 1 13 . 1 1 54 54 ASP N N 53 127.411 127.411 125.771 1.640 18277 10515 1 13 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.918 -0.225 18277 10516 1 13 . 1 1 54 54 ASP C C 53 175.962 175.962 175.664 0.298 18277 10517 1 13 . 1 1 54 54 ASP CA C 53 52.977 52.977 52.097 0.880 18277 10518 1 13 . 1 1 54 54 ASP CB C 53 43.028 43.028 42.279 0.749 18277 10519 1 13 . 1 1 54 54 ASP H H 53 7.449 7.449 7.684 -0.235 18277 10520 1 13 . 1 1 55 55 HIS N N 54 124.486 124.486 123.162 1.324 18277 10521 1 13 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.264 -0.285 18277 10522 1 13 . 1 1 55 55 HIS C C 54 175.406 175.406 175.465 -0.059 18277 10523 1 13 . 1 1 55 55 HIS CA C 54 58.617 58.617 57.473 1.144 18277 10524 1 13 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.455 1.962 18277 10525 1 13 . 1 1 55 55 HIS H H 54 8.512 8.512 8.848 -0.336 18277 10526 1 13 . 1 1 56 56 VAL N N 55 120.625 120.625 119.399 1.226 18277 10527 1 13 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.678 -0.142 18277 10528 1 13 . 1 1 56 56 VAL C C 55 177.379 177.379 176.463 0.916 18277 10529 1 13 . 1 1 56 56 VAL CA C 55 65.174 65.174 66.012 -0.838 18277 10530 1 13 . 1 1 56 56 VAL CB C 55 31.274 31.274 32.163 -0.889 18277 10531 1 13 . 1 1 56 56 VAL H H 55 8.397 8.397 7.876 0.521 18277 10532 1 13 . 1 1 57 57 TYR N N 56 115.771 115.771 114.889 0.882 18277 10533 1 13 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.614 -0.348 18277 10534 1 13 . 1 1 57 57 TYR C C 56 174.645 174.645 175.271 -0.626 18277 10535 1 13 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.519 1.207 18277 10536 1 13 . 1 1 57 57 TYR CB C 56 39.566 39.566 40.230 -0.664 18277 10537 1 13 . 1 1 57 57 TYR H H 56 7.641 7.641 7.434 0.207 18277 10538 1 13 . 1 1 58 58 HIS N N 57 116.177 116.177 115.240 0.937 18277 10539 1 13 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.169 -0.422 18277 10540 1 13 . 1 1 58 58 HIS C C 57 172.860 172.860 173.093 -0.233 18277 10541 1 13 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.696 -1.048 18277 10542 1 13 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.116 -1.814 18277 10543 1 13 . 1 1 58 58 HIS H H 57 7.764 7.764 7.725 0.039 18277 10544 1 13 . 1 1 59 59 VAL N N 58 104.729 104.729 110.310 -5.581 18277 10545 1 13 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.506 0.194 18277 10546 1 13 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.126 -1.794 18277 10547 1 13 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.829 0.384 18277 10548 1 13 . 1 1 59 59 VAL H H 58 6.310 6.310 7.287 -0.977 18277 10549 1 13 . 1 1 60 60 PRO HA H 59 4.345 4.345 3.982 0.363 18277 10550 1 13 . 1 1 60 60 PRO C C 59 174.254 174.254 175.380 -1.126 18277 10551 1 13 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.698 -0.108 18277 10552 1 13 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.533 -1.757 18277 10553 1 13 . 1 1 61 61 SER N N 60 116.530 116.530 113.651 2.879 18277 10554 1 13 . 1 1 61 61 SER HA H 60 4.899 4.899 4.685 0.214 18277 10555 1 13 . 1 1 61 61 SER CA C 60 57.691 57.691 56.608 1.083 18277 10556 1 13 . 1 1 61 61 SER CB C 60 66.483 66.483 66.224 0.259 18277 10557 1 13 . 1 1 61 61 SER H H 60 8.854 8.854 7.741 1.113 18277 10558 1 13 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.715 0.989 18277 10559 1 13 . 1 1 62 62 ILE C C 61 176.160 176.160 174.043 2.117 18277 10560 1 13 . 1 1 62 62 ILE CA C 61 59.918 59.918 60.904 -0.986 18277 10561 1 13 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.492 0.297 18277 10562 1 13 . 1 1 63 63 LYS N N 62 123.794 123.794 128.214 -4.420 18277 10563 1 13 . 1 1 63 63 LYS HA H 62 5.694 5.694 5.030 0.664 18277 10564 1 13 . 1 1 63 63 LYS C C 62 174.598 174.598 174.359 0.239 18277 10565 1 13 . 1 1 63 63 LYS CA C 62 54.508 54.508 54.650 -0.142 18277 10566 1 13 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.710 -0.007 18277 10567 1 13 . 1 1 63 63 LYS H H 62 9.011 9.011 8.519 0.492 18277 10568 1 13 . 1 1 64 64 PHE N N 63 116.267 116.267 121.957 -5.690 18277 10569 1 13 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.345 0.968 18277 10570 1 13 . 1 1 64 64 PHE C C 63 173.139 173.139 173.410 -0.271 18277 10571 1 13 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.714 0.879 18277 10572 1 13 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.664 0.277 18277 10573 1 13 . 1 1 64 64 PHE H H 63 9.776 9.776 7.858 1.918 18277 10574 1 13 . 1 1 65 65 ARG N N 64 116.428 116.428 119.159 -2.731 18277 10575 1 13 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.937 -0.156 18277 10576 1 13 . 1 1 65 65 ARG C C 64 173.867 173.867 175.093 -1.226 18277 10577 1 13 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.782 0.975 18277 10578 1 13 . 1 1 65 65 ARG CB C 64 35.068 35.068 32.443 2.626 18277 10579 1 13 . 1 1 65 65 ARG H H 64 9.257 9.257 8.450 0.807 18277 10580 1 13 . 1 1 66 66 LEU N N 65 121.826 121.826 124.520 -2.694 18277 10581 1 13 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.391 1.058 18277 10582 1 13 . 1 1 66 66 LEU C C 65 174.002 174.002 176.856 -2.854 18277 10583 1 13 . 1 1 66 66 LEU CA C 65 53.826 53.826 56.172 -2.346 18277 10584 1 13 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.661 4.011 18277 10585 1 13 . 1 1 66 66 LEU H H 65 9.041 9.041 8.945 0.096 18277 10586 1 13 . 1 1 67 67 TRP N N 66 120.671 120.671 122.174 -1.503 18277 10587 1 13 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.150 0.173 18277 10588 1 13 . 1 1 67 67 TRP C C 66 175.763 175.763 175.633 0.130 18277 10589 1 13 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.491 -1.409 18277 10590 1 13 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.586 -0.415 18277 10591 1 13 . 1 1 67 67 TRP H H 66 9.366 9.366 9.266 0.100 18277 10592 1 13 . 1 1 68 68 SER N N 67 117.273 117.273 116.901 0.372 18277 10593 1 13 . 1 1 68 68 SER HA H 67 5.297 5.297 4.894 0.403 18277 10594 1 13 . 1 1 68 68 SER C C 67 174.327 174.327 174.404 -0.077 18277 10595 1 13 . 1 1 68 68 SER CA C 67 56.883 56.883 57.139 -0.256 18277 10596 1 13 . 1 1 68 68 SER CB C 67 65.230 65.230 63.691 1.539 18277 10597 1 13 . 1 1 68 68 SER H H 67 9.750 9.750 9.402 0.348 18277 10598 1 13 . 1 1 69 69 LEU N N 68 126.002 126.002 130.479 -4.477 18277 10599 1 13 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.512 0.246 18277 10600 1 13 . 1 1 69 69 LEU C C 68 176.022 176.022 176.385 -0.363 18277 10601 1 13 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.842 -1.463 18277 10602 1 13 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.442 0.929 18277 10603 1 13 . 1 1 69 69 LEU H H 68 8.119 8.119 8.199 -0.080 18277 10604 1 13 . 1 1 70 70 ASP N N 69 124.828 124.828 126.557 -1.729 18277 10605 1 13 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.971 -0.190 18277 10606 1 13 . 1 1 70 70 ASP C C 69 176.396 176.396 175.910 0.486 18277 10607 1 13 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.278 1.105 18277 10608 1 13 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.632 -0.640 18277 10609 1 13 . 1 1 70 70 ASP H H 69 8.572 8.572 8.061 0.511 18277 10610 1 13 . 1 1 71 71 THR N N 70 114.913 114.913 114.350 0.563 18277 10611 1 13 . 1 1 71 71 THR HA H 70 4.531 4.531 4.523 0.008 18277 10612 1 13 . 1 1 71 71 THR C C 70 174.451 174.451 175.012 -0.561 18277 10613 1 13 . 1 1 71 71 THR CA C 70 61.742 61.742 61.377 0.365 18277 10614 1 13 . 1 1 71 71 THR CB C 70 69.950 69.950 68.762 1.188 18277 10615 1 13 . 1 1 71 71 THR H H 70 8.403 8.403 8.534 -0.131 18277 10616 1 13 . 1 1 72 72 GLU N N 71 123.605 123.605 121.948 1.657 18277 10617 1 13 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.080 0.161 18277 10618 1 13 . 1 1 72 72 GLU C C 71 176.451 176.451 177.184 -0.733 18277 10619 1 13 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.889 -1.682 18277 10620 1 13 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.607 0.803 18277 10621 1 13 . 1 1 72 72 GLU H H 71 8.542 8.542 8.542 -0.000 18277 10622 1 13 . 1 1 73 73 GLU N N 72 119.641 119.641 117.105 2.536 18277 10623 1 13 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.414 -0.303 18277 10624 1 13 . 1 1 73 73 GLU C C 72 175.577 175.577 175.808 -0.231 18277 10625 1 13 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.018 1.079 18277 10626 1 13 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.433 -1.090 18277 10627 1 13 . 1 1 73 73 GLU H H 72 8.503 8.503 8.101 0.402 18277 10628 1 13 . 1 1 74 74 ASP N N 73 117.882 117.882 118.259 -0.377 18277 10629 1 13 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.440 0.131 18277 10630 1 13 . 1 1 74 74 ASP C C 73 176.077 176.077 175.360 0.717 18277 10631 1 13 . 1 1 74 74 ASP CA C 73 54.494 54.494 54.824 -0.330 18277 10632 1 13 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.597 1.341 18277 10633 1 13 . 1 1 74 74 ASP H H 73 8.228 8.228 8.163 0.065 18277 10634 1 13 . 1 1 75 75 ILE N N 74 120.809 120.809 115.384 5.425 18277 10635 1 13 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.345 -0.136 18277 10636 1 13 . 1 1 75 75 ILE C C 74 175.939 175.939 176.015 -0.076 18277 10637 1 13 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.996 0.330 18277 10638 1 13 . 1 1 75 75 ILE CB C 74 38.669 38.669 37.914 0.755 18277 10639 1 13 . 1 1 75 75 ILE H H 74 8.089 8.089 8.040 0.049 18277 10640 1 13 . 1 1 76 76 SER N N 75 119.402 119.402 116.214 3.188 18277 10641 1 13 . 1 1 76 76 SER HA H 75 4.652 4.652 4.265 0.387 18277 10642 1 13 . 1 1 76 76 SER C C 75 174.313 174.313 174.241 0.072 18277 10643 1 13 . 1 1 76 76 SER CA C 75 58.778 58.778 58.236 0.542 18277 10644 1 13 . 1 1 76 76 SER CB C 75 63.860 63.860 62.641 1.219 18277 10645 1 13 . 1 1 76 76 SER H H 75 8.449 8.449 8.112 0.337 18277 10646 1 13 . 1 1 77 77 SER N N 76 118.644 118.644 114.967 3.677 18277 10647 1 13 . 1 1 77 77 SER HA H 76 4.588 4.588 4.528 0.060 18277 10648 1 13 . 1 1 77 77 SER C C 76 173.094 173.094 173.252 -0.158 18277 10649 1 13 . 1 1 77 77 SER CA C 76 57.772 57.772 58.309 -0.537 18277 10650 1 13 . 1 1 77 77 SER CB C 76 64.461 64.461 64.313 0.148 18277 10651 1 13 . 1 1 77 77 SER H H 76 8.280 8.280 7.667 0.613 18277 10652 1 13 . 1 1 78 78 LEU N N 77 123.896 123.896 115.253 8.643 18277 10653 1 13 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.016 -0.018 18277 10654 1 13 . 1 1 78 78 LEU C C 77 177.081 177.081 175.028 2.053 18277 10655 1 13 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.614 0.394 18277 10656 1 13 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.596 -1.575 18277 10657 1 13 . 1 1 78 78 LEU H H 77 7.981 7.981 8.145 -0.164 18277 10658 1 13 . 1 1 79 79 ARG N N 78 123.195 123.195 121.023 2.172 18277 10659 1 13 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.840 0.119 18277 10660 1 13 . 1 1 79 79 ARG C C 78 174.994 174.994 174.460 0.534 18277 10661 1 13 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.001 -0.337 18277 10662 1 13 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.495 -0.215 18277 10663 1 13 . 1 1 79 79 ARG H H 78 9.013 9.013 8.491 0.522 18277 10664 1 13 . 1 1 80 80 LEU N N 79 128.388 128.388 126.166 2.222 18277 10665 1 13 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.802 -0.024 18277 10666 1 13 . 1 1 80 80 LEU C C 79 177.216 177.216 175.826 1.390 18277 10667 1 13 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.781 0.268 18277 10668 1 13 . 1 1 80 80 LEU CB C 79 42.285 42.285 41.789 0.496 18277 10669 1 13 . 1 1 80 80 LEU H H 79 8.807 8.807 8.624 0.183 18277 10670 1 13 . 1 1 81 81 LEU N N 80 127.521 127.521 126.974 0.547 18277 10671 1 13 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.586 -0.023 18277 10672 1 13 . 1 1 81 81 LEU C C 80 176.354 176.354 176.384 -0.030 18277 10673 1 13 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.601 -0.440 18277 10674 1 13 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.167 0.243 18277 10675 1 13 . 1 1 81 81 LEU H H 80 8.478 8.478 8.410 0.068 18277 10676 1 13 . 1 1 82 82 THR N N 81 121.108 121.108 114.313 6.795 18277 10677 1 13 . 1 1 82 82 THR HA H 81 4.391 4.391 4.648 -0.257 18277 10678 1 13 . 1 1 82 82 THR C C 81 173.678 173.678 173.949 -0.271 18277 10679 1 13 . 1 1 82 82 THR CA C 81 61.112 61.112 61.113 -0.001 18277 10680 1 13 . 1 1 82 82 THR CB C 81 68.941 68.941 69.082 -0.141 18277 10681 1 13 . 1 1 82 82 THR H H 81 8.735 8.735 8.235 0.500 18277 10682 1 13 . 1 1 83 83 LEU N N 82 125.276 125.276 124.224 1.052 18277 10683 1 13 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.964 -0.193 18277 10684 1 13 . 1 1 83 83 LEU C C 82 177.192 177.192 176.139 1.053 18277 10685 1 13 . 1 1 83 83 LEU CA C 82 53.414 53.414 52.946 0.468 18277 10686 1 13 . 1 1 83 83 LEU CB C 82 44.525 44.525 43.192 1.333 18277 10687 1 13 . 1 1 83 83 LEU H H 82 7.985 7.985 7.952 0.033 18277 10688 1 13 . 1 1 84 84 SER N N 83 118.590 118.590 115.735 2.855 18277 10689 1 13 . 1 1 84 84 SER HA H 83 4.591 4.591 4.394 0.197 18277 10690 1 13 . 1 1 84 84 SER C C 83 174.317 174.317 175.498 -1.181 18277 10691 1 13 . 1 1 84 84 SER CA C 83 57.202 57.202 59.048 -1.846 18277 10692 1 13 . 1 1 84 84 SER CB C 83 65.345 65.345 64.013 1.332 18277 10693 1 13 . 1 1 84 84 SER H H 83 9.214 9.214 8.561 0.653 18277 10694 1 13 . 1 1 85 85 ASP N N 84 121.149 121.149 121.554 -0.405 18277 10695 1 13 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.482 -0.139 18277 10696 1 13 . 1 1 85 85 ASP C C 84 178.027 178.027 177.977 0.050 18277 10697 1 13 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.360 1.431 18277 10698 1 13 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.325 1.661 18277 10699 1 13 . 1 1 85 85 ASP H H 84 9.014 9.014 8.826 0.188 18277 10700 1 13 . 1 1 86 86 SER N N 85 111.874 111.874 115.424 -3.550 18277 10701 1 13 . 1 1 86 86 SER HA H 85 4.110 4.110 4.237 -0.127 18277 10702 1 13 . 1 1 86 86 SER C C 85 177.696 177.696 175.492 2.204 18277 10703 1 13 . 1 1 86 86 SER CA C 85 61.560 61.560 61.128 0.432 18277 10704 1 13 . 1 1 86 86 SER CB C 85 62.355 62.355 62.735 -0.380 18277 10705 1 13 . 1 1 86 86 SER H H 85 8.467 8.467 8.329 0.138 18277 10706 1 13 . 1 1 87 87 GLU N N 86 122.948 122.948 117.981 4.967 18277 10707 1 13 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.229 -0.152 18277 10708 1 13 . 1 1 87 87 GLU C C 86 180.335 180.335 179.002 1.333 18277 10709 1 13 . 1 1 87 87 GLU CA C 86 59.036 59.036 57.718 1.318 18277 10710 1 13 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.754 1.065 18277 10711 1 13 . 1 1 87 87 GLU H H 86 7.660 7.660 8.015 -0.355 18277 10712 1 13 . 1 1 88 88 LEU N N 87 122.341 122.341 122.473 -0.132 18277 10713 1 13 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.026 -0.143 18277 10714 1 13 . 1 1 88 88 LEU C C 87 178.818 178.818 177.969 0.849 18277 10715 1 13 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.637 0.437 18277 10716 1 13 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.834 0.537 18277 10717 1 13 . 1 1 88 88 LEU H H 87 8.878 8.878 7.990 0.888 18277 10718 1 13 . 1 1 89 89 ARG N N 88 115.874 115.874 117.819 -1.945 18277 10719 1 13 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.110 0.016 18277 10720 1 13 . 1 1 89 89 ARG C C 88 176.552 176.552 177.893 -1.341 18277 10721 1 13 . 1 1 89 89 ARG CA C 88 58.720 58.720 57.761 0.959 18277 10722 1 13 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.604 0.181 18277 10723 1 13 . 1 1 89 89 ARG H H 88 7.956 7.956 8.512 -0.556 18277 10724 1 13 . 1 1 90 90 SER N N 89 112.295 112.295 114.290 -1.995 18277 10725 1 13 . 1 1 90 90 SER HA H 89 4.565 4.565 4.288 0.277 18277 10726 1 13 . 1 1 90 90 SER C C 89 174.817 174.817 175.551 -0.734 18277 10727 1 13 . 1 1 90 90 SER CA C 89 60.043 60.043 60.701 -0.658 18277 10728 1 13 . 1 1 90 90 SER CB C 89 63.858 63.858 63.382 0.476 18277 10729 1 13 . 1 1 90 90 SER H H 89 7.481 7.481 8.055 -0.574 18277 10730 1 13 . 1 1 91 91 ILE N N 90 116.577 116.577 115.838 0.739 18277 10731 1 13 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.335 0.103 18277 10732 1 13 . 1 1 91 91 ILE C C 90 174.636 174.636 175.630 -0.994 18277 10733 1 13 . 1 1 91 91 ILE CA C 90 62.262 62.262 60.974 1.288 18277 10734 1 13 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.555 2.054 18277 10735 1 13 . 1 1 91 91 ILE H H 90 7.372 7.372 7.350 0.022 18277 10736 1 13 . 1 1 92 92 LEU N N 91 119.723 119.723 119.068 0.655 18277 10737 1 13 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.458 0.183 18277 10738 1 13 . 1 1 92 92 LEU C C 91 175.178 175.178 176.213 -1.035 18277 10739 1 13 . 1 1 92 92 LEU CA C 91 52.813 52.813 53.838 -1.025 18277 10740 1 13 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.921 0.752 18277 10741 1 13 . 1 1 92 92 LEU H H 91 7.900 7.900 7.884 0.016 18277 10742 1 13 . 1 1 93 93 ASN N N 92 119.687 119.687 118.771 0.916 18277 10743 1 13 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.790 0.193 18277 10744 1 13 . 1 1 93 93 ASN C C 92 174.978 174.978 174.413 0.565 18277 10745 1 13 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.089 -0.718 18277 10746 1 13 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.635 -1.904 18277 10747 1 13 . 1 1 93 93 ASN H H 92 8.916 8.916 8.295 0.621 18277 10748 1 13 . 1 1 94 94 LEU N N 93 121.052 121.052 123.272 -2.220 18277 10749 1 13 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.156 -0.210 18277 10750 1 13 . 1 1 94 94 LEU C C 93 177.367 177.367 178.126 -0.759 18277 10751 1 13 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.090 0.960 18277 10752 1 13 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.152 0.620 18277 10753 1 13 . 1 1 94 94 LEU H H 93 8.172 8.172 8.600 -0.428 18277 10754 1 13 . 1 1 95 95 GLY N N 94 105.340 105.340 107.358 -2.018 18277 10755 1 13 . 1 1 95 95 GLY C C 94 176.133 176.133 175.721 0.412 18277 10756 1 13 . 1 1 95 95 GLY CA C 94 47.349 47.349 46.965 0.384 18277 10757 1 13 . 1 1 95 95 GLY H H 94 8.281 8.281 8.052 0.229 18277 10758 1 13 . 1 1 96 96 THR N N 95 117.040 117.040 117.735 -0.695 18277 10759 1 13 . 1 1 96 96 THR HA H 95 4.242 4.242 4.600 -0.358 18277 10760 1 13 . 1 1 96 96 THR C C 95 175.349 175.349 174.965 0.384 18277 10761 1 13 . 1 1 96 96 THR CA C 95 61.859 61.859 61.028 0.831 18277 10762 1 13 . 1 1 96 96 THR CB C 95 68.399 68.399 69.658 -1.259 18277 10763 1 13 . 1 1 96 96 THR H H 95 8.419 8.419 8.158 0.261 18277 10764 1 13 . 1 1 97 97 PHE N N 96 122.590 122.590 122.725 -0.135 18277 10765 1 13 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.420 0.302 18277 10766 1 13 . 1 1 97 97 PHE C C 96 174.704 174.704 175.415 -0.711 18277 10767 1 13 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.249 -0.650 18277 10768 1 13 . 1 1 97 97 PHE CB C 96 39.149 39.149 39.873 -0.724 18277 10769 1 13 . 1 1 97 97 PHE H H 96 8.517 8.517 8.698 -0.181 18277 10770 1 13 . 1 1 98 98 SER N N 97 114.201 114.201 114.806 -0.605 18277 10771 1 13 . 1 1 98 98 SER HA H 97 4.859 4.859 4.813 0.046 18277 10772 1 13 . 1 1 98 98 SER C C 97 173.002 173.002 172.856 0.146 18277 10773 1 13 . 1 1 98 98 SER CA C 97 57.346 57.346 58.021 -0.675 18277 10774 1 13 . 1 1 98 98 SER CB C 97 65.739 65.739 65.869 -0.130 18277 10775 1 13 . 1 1 98 98 SER H H 97 9.129 9.129 8.508 0.621 18277 10776 1 13 . 1 1 99 99 VAL N N 98 120.191 120.191 120.881 -0.690 18277 10777 1 13 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.722 0.797 18277 10778 1 13 . 1 1 99 99 VAL C C 98 175.574 175.574 175.515 0.059 18277 10779 1 13 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.979 -1.589 18277 10780 1 13 . 1 1 99 99 VAL CB C 98 35.426 35.426 36.373 -0.947 18277 10781 1 13 . 1 1 99 99 VAL H H 98 8.655 8.655 8.563 0.092 18277 10782 1 13 . 1 1 100 100 THR N N 99 120.623 120.623 120.572 0.051 18277 10783 1 13 . 1 1 100 100 THR HA H 99 4.729 4.729 4.636 0.093 18277 10784 1 13 . 1 1 100 100 THR C C 99 172.605 172.605 172.465 0.140 18277 10785 1 13 . 1 1 100 100 THR CA C 99 61.114 61.114 61.671 -0.557 18277 10786 1 13 . 1 1 100 100 THR CB C 99 71.850 71.850 70.763 1.087 18277 10787 1 13 . 1 1 100 100 THR H H 99 8.997 8.997 8.801 0.196 18277 10788 1 13 . 1 1 101 101 LEU N N 100 127.613 127.613 129.840 -2.227 18277 10789 1 13 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.185 -0.236 18277 10790 1 13 . 1 1 101 101 LEU C C 100 176.666 176.666 175.999 0.667 18277 10791 1 13 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.613 1.076 18277 10792 1 13 . 1 1 101 101 LEU CB C 100 43.166 43.166 42.878 0.288 18277 10793 1 13 . 1 1 101 101 LEU H H 100 8.766 8.766 8.641 0.125 18277 10794 1 13 . 1 1 102 102 SER N N 101 119.771 119.771 123.114 -3.343 18277 10795 1 13 . 1 1 102 102 SER HA H 101 4.749 4.749 4.860 -0.111 18277 10796 1 13 . 1 1 102 102 SER C C 101 173.477 173.477 172.796 0.681 18277 10797 1 13 . 1 1 102 102 SER CA C 101 57.514 57.514 57.333 0.181 18277 10798 1 13 . 1 1 102 102 SER CB C 101 65.024 65.024 65.299 -0.274 18277 10799 1 13 . 1 1 102 102 SER H H 101 8.926 8.926 9.104 -0.178 18277 10800 1 13 . 1 1 103 103 THR N N 102 117.853 117.853 121.490 -3.637 18277 10801 1 13 . 1 1 103 103 THR HA H 102 4.618 4.618 4.928 -0.310 18277 10802 1 13 . 1 1 103 103 THR C C 102 174.020 174.020 173.820 0.200 18277 10803 1 13 . 1 1 103 103 THR CA C 102 61.991 61.991 60.633 1.358 18277 10804 1 13 . 1 1 103 103 THR CB C 102 69.972 69.972 71.560 -1.588 18277 10805 1 13 . 1 1 103 103 THR H H 102 8.409 8.409 8.508 -0.099 18277 10806 1 13 . 1 1 104 104 ASP N N 103 125.295 125.295 125.108 0.187 18277 10807 1 13 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.756 -0.048 18277 10808 1 13 . 1 1 104 104 ASP C C 103 176.908 176.908 178.104 -1.196 18277 10809 1 13 . 1 1 104 104 ASP CA C 103 53.559 53.559 53.399 0.160 18277 10810 1 13 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.376 -0.131 18277 10811 1 13 . 1 1 104 104 ASP H H 103 8.598 8.598 8.192 0.406 18277 10812 1 13 . 1 1 105 105 MET N N 104 122.470 122.470 122.022 0.448 18277 10813 1 13 . 1 1 105 105 MET HA H 104 4.270 4.270 4.278 -0.008 18277 10814 1 13 . 1 1 105 105 MET C C 104 177.354 177.354 176.939 0.415 18277 10815 1 13 . 1 1 105 105 MET CA C 104 57.300 57.300 57.649 -0.349 18277 10816 1 13 . 1 1 105 105 MET CB C 104 32.108 32.108 32.595 -0.487 18277 10817 1 13 . 1 1 105 105 MET H H 104 8.719 8.719 8.542 0.177 18277 10818 1 13 . 1 1 106 106 GLU N N 105 118.752 118.752 117.902 0.850 18277 10819 1 13 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.163 0.073 18277 10820 1 13 . 1 1 106 106 GLU C C 105 177.172 177.172 176.570 0.602 18277 10821 1 13 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.224 1.504 18277 10822 1 13 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.526 0.249 18277 10823 1 13 . 1 1 106 106 GLU H H 105 8.306 8.306 8.110 0.196 18277 10824 1 13 . 1 1 107 107 MET N N 106 116.736 116.736 113.284 3.452 18277 10825 1 13 . 1 1 107 107 MET HA H 106 4.329 4.329 4.102 0.227 18277 10826 1 13 . 1 1 107 107 MET C C 106 176.319 176.319 174.657 1.662 18277 10827 1 13 . 1 1 107 107 MET CA C 106 55.514 55.514 56.663 -1.149 18277 10828 1 13 . 1 1 107 107 MET CB C 106 31.566 31.566 31.027 0.538 18277 10829 1 13 . 1 1 107 107 MET H H 106 8.206 8.206 7.781 0.425 18277 10830 1 13 . 1 1 108 108 LYS N N 107 117.661 117.661 116.177 1.484 18277 10831 1 13 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.227 -0.141 18277 10832 1 13 . 1 1 108 108 LYS C C 107 176.049 176.049 176.133 -0.084 18277 10833 1 13 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.434 0.666 18277 10834 1 13 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.859 -1.969 18277 10835 1 13 . 1 1 108 108 LYS H H 107 8.382 8.382 7.941 0.441 18277 10836 1 13 . 1 1 109 109 SER N N 108 113.019 113.019 115.043 -2.024 18277 10837 1 13 . 1 1 109 109 SER HA H 108 4.566 4.566 4.524 0.042 18277 10838 1 13 . 1 1 109 109 SER C C 108 172.969 172.969 172.562 0.407 18277 10839 1 13 . 1 1 109 109 SER CA C 108 56.997 56.997 56.861 0.136 18277 10840 1 13 . 1 1 109 109 SER CB C 108 65.035 65.035 65.286 -0.251 18277 10841 1 13 . 1 1 109 109 SER H H 108 7.892 7.892 7.596 0.296 18277 10842 1 13 . 1 1 110 110 VAL N N 109 121.915 121.915 121.430 0.485 18277 10843 1 13 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.504 -0.102 18277 10844 1 13 . 1 1 110 110 VAL C C 109 174.706 174.706 174.566 0.140 18277 10845 1 13 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.435 1.539 18277 10846 1 13 . 1 1 110 110 VAL CB C 109 33.080 33.080 34.999 -1.919 18277 10847 1 13 . 1 1 110 110 VAL H H 109 7.878 7.878 7.911 -0.033 18277 10848 1 13 . 1 1 111 111 TYR N N 110 122.247 122.247 122.677 -0.430 18277 10849 1 13 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.691 -0.355 18277 10850 1 13 . 1 1 111 111 TYR C C 110 173.915 173.915 174.382 -0.467 18277 10851 1 13 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.425 1.838 18277 10852 1 13 . 1 1 111 111 TYR CB C 110 43.222 43.222 41.514 1.708 18277 10853 1 13 . 1 1 111 111 TYR H H 110 8.317 8.317 8.611 -0.294 18277 10854 1 13 . 1 1 112 112 TYR N N 111 117.096 117.096 118.840 -1.744 18277 10855 1 13 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.817 0.052 18277 10856 1 13 . 1 1 112 112 TYR C C 111 175.418 175.418 175.355 0.063 18277 10857 1 13 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.226 0.957 18277 10858 1 13 . 1 1 112 112 TYR CB C 111 38.681 38.681 36.948 1.733 18277 10859 1 13 . 1 1 112 112 TYR H H 111 8.690 8.690 8.716 -0.026 18277 10860 1 13 . 1 1 113 113 TYR N N 112 120.208 120.208 123.077 -2.869 18277 10861 1 13 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.841 0.098 18277 10862 1 13 . 1 1 113 113 TYR C C 112 176.674 176.674 176.635 0.039 18277 10863 1 13 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.982 -1.415 18277 10864 1 13 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.325 2.599 18277 10865 1 13 . 1 1 113 113 TYR H H 112 9.374 9.374 8.827 0.547 18277 10866 1 13 . 1 1 114 114 ILE N N 113 121.490 121.490 125.818 -4.328 18277 10867 1 13 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.069 0.752 18277 10868 1 13 . 1 1 114 114 ILE C C 113 176.329 176.329 176.364 -0.035 18277 10869 1 13 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.365 -2.326 18277 10870 1 13 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.361 -1.396 18277 10871 1 13 . 1 1 114 114 ILE H H 113 8.076 8.076 8.756 -0.680 18277 10872 1 13 . 1 1 115 115 ASN N N 114 129.212 129.212 126.102 3.110 18277 10873 1 13 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.612 0.089 18277 10874 1 13 . 1 1 115 115 ASN C C 114 175.914 175.914 174.710 1.204 18277 10875 1 13 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.646 0.376 18277 10876 1 13 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.910 -0.361 18277 10877 1 13 . 1 1 115 115 ASN H H 114 8.959 8.959 8.599 0.360 18277 10878 1 13 . 1 1 116 116 ASN N N 115 121.613 121.613 120.090 1.523 18277 10879 1 13 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.108 -0.239 18277 10880 1 13 . 1 1 116 116 ASN C C 115 178.040 178.040 174.556 3.484 18277 10881 1 13 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.711 0.069 18277 10882 1 13 . 1 1 116 116 ASN CB C 115 39.096 39.096 39.272 -0.176 18277 10883 1 13 . 1 1 116 116 ASN H H 115 8.464 8.464 8.321 0.143 18277 10884 1 13 . 1 1 117 117 CYS N N 116 120.777 120.777 118.943 1.834 18277 10885 1 13 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.684 0.060 18277 10886 1 13 . 1 1 117 117 CYS C C 116 174.635 174.635 174.387 0.248 18277 10887 1 13 . 1 1 117 117 CYS CA C 116 60.087 60.087 59.031 1.056 18277 10888 1 13 . 1 1 117 117 CYS CB C 116 27.456 27.456 28.470 -1.014 18277 10889 1 13 . 1 1 117 117 CYS H H 116 8.256 8.256 8.156 0.100 18277 10890 1 13 . 1 1 118 118 ASP N N 117 119.926 119.926 117.955 1.971 18277 10891 1 13 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.586 0.313 18277 10892 1 13 . 1 1 118 118 ASP C C 117 176.225 176.225 175.783 0.442 18277 10893 1 13 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.185 0.225 18277 10894 1 13 . 1 1 118 118 ASP CB C 117 40.174 40.174 38.992 1.182 18277 10895 1 13 . 1 1 118 118 ASP H H 117 8.420 8.420 8.282 0.138 18277 10896 1 13 . 1 1 119 119 THR N N 118 116.185 116.185 116.098 0.087 18277 10897 1 13 . 1 1 119 119 THR HA H 118 4.315 4.315 4.287 0.028 18277 10898 1 13 . 1 1 119 119 THR C C 118 175.349 175.349 175.864 -0.515 18277 10899 1 13 . 1 1 119 119 THR CA C 118 66.029 66.029 67.058 -1.029 18277 10900 1 13 . 1 1 119 119 THR CB C 118 69.654 69.654 69.403 0.251 18277 10901 1 13 . 1 1 119 119 THR H H 118 7.712 7.712 7.412 0.300 18277 10902 1 13 . 1 1 120 120 ASP N N 119 120.938 120.938 121.175 -0.237 18277 10903 1 13 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.455 0.078 18277 10904 1 13 . 1 1 120 120 ASP C C 119 177.991 177.991 177.507 0.484 18277 10905 1 13 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.189 -0.283 18277 10906 1 13 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.377 0.560 18277 10907 1 13 . 1 1 120 120 ASP H H 119 8.730 8.730 8.800 -0.070 18277 10908 1 13 . 1 1 121 121 ALA N N 120 122.818 122.818 120.237 2.581 18277 10909 1 13 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.245 -0.067 18277 10910 1 13 . 1 1 121 121 ALA C C 120 178.787 178.787 178.448 0.339 18277 10911 1 13 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.788 0.103 18277 10912 1 13 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.734 -0.263 18277 10913 1 13 . 1 1 121 121 ALA H H 120 8.033 8.033 8.138 -0.105 18277 10914 1 13 . 1 1 122 122 ASN N N 121 116.085 116.085 117.022 -0.937 18277 10915 1 13 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.513 0.121 18277 10916 1 13 . 1 1 122 122 ASN C C 121 176.235 176.235 176.746 -0.511 18277 10917 1 13 . 1 1 122 122 ASN CA C 121 54.496 54.496 55.488 -0.992 18277 10918 1 13 . 1 1 122 122 ASN CB C 121 38.889 38.889 38.889 0.000 18277 10919 1 13 . 1 1 122 122 ASN H H 121 8.128 8.128 7.505 0.623 18277 10920 1 13 . 1 1 123 123 VAL N N 122 117.803 117.803 117.251 0.552 18277 10921 1 13 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.932 0.030 18277 10922 1 13 . 1 1 123 123 VAL C C 122 176.973 176.973 177.107 -0.134 18277 10923 1 13 . 1 1 123 123 VAL CA C 122 63.916 63.916 63.967 -0.051 18277 10924 1 13 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.288 0.608 18277 10925 1 13 . 1 1 123 123 VAL H H 122 8.262 8.262 8.246 0.016 18277 10926 1 13 . 1 1 124 124 GLY N N 123 110.472 110.472 106.439 4.033 18277 10927 1 13 . 1 1 124 124 GLY C C 123 174.107 174.107 174.298 -0.191 18277 10928 1 13 . 1 1 124 124 GLY CA C 123 45.401 45.401 45.254 0.147 18277 10929 1 13 . 1 1 124 124 GLY H H 123 8.172 8.172 8.076 0.096 18277 10930 1 13 . 1 1 125 125 SER N N 124 113.065 113.065 116.227 -3.162 18277 10931 1 13 . 1 1 125 125 SER HA H 124 4.529 4.529 4.369 0.160 18277 10932 1 13 . 1 1 125 125 SER C C 124 174.664 174.664 174.461 0.203 18277 10933 1 13 . 1 1 125 125 SER CA C 124 58.981 58.981 58.467 0.514 18277 10934 1 13 . 1 1 125 125 SER CB C 124 64.492 64.492 64.335 0.157 18277 10935 1 13 . 1 1 125 125 SER H H 124 8.139 8.139 8.194 -0.055 18277 10936 1 13 . 1 1 126 126 ASP N N 125 121.312 121.312 124.201 -2.889 18277 10937 1 13 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.530 0.177 18277 10938 1 13 . 1 1 126 126 ASP C C 125 177.029 177.029 177.289 -0.260 18277 10939 1 13 . 1 1 126 126 ASP CA C 125 54.232 54.232 54.611 -0.379 18277 10940 1 13 . 1 1 126 126 ASP CB C 125 40.878 40.878 41.510 -0.632 18277 10941 1 13 . 1 1 126 126 ASP H H 125 8.146 8.146 8.464 -0.318 18277 10942 1 13 . 1 1 127 127 VAL N N 126 123.444 123.444 120.310 3.134 18277 10943 1 13 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.842 -0.016 18277 10944 1 13 . 1 1 127 127 VAL C C 126 177.304 177.304 177.208 0.096 18277 10945 1 13 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.914 0.985 18277 10946 1 13 . 1 1 127 127 VAL CB C 126 32.222 32.222 32.202 0.020 18277 10947 1 13 . 1 1 127 127 VAL H H 126 8.474 8.474 8.337 0.137 18277 10948 1 13 . 1 1 128 128 GLU N N 127 120.874 120.874 121.077 -0.203 18277 10949 1 13 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.195 -0.262 18277 10950 1 13 . 1 1 128 128 GLU CA C 127 58.660 58.660 59.053 -0.393 18277 10951 1 13 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.591 -0.511 18277 10952 1 13 . 1 1 128 128 GLU H H 127 8.504 8.504 8.828 -0.324 18277 10953 1 13 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.903 -0.154 18277 10954 1 13 . 1 1 129 129 HIS C C 128 174.898 174.898 174.413 0.485 18277 10955 1 13 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.630 1.818 18277 10956 1 13 . 1 1 129 129 HIS CB C 128 29.045 29.045 29.237 -0.192 18277 10957 1 13 . 1 1 130 130 TYR N N 129 122.615 122.615 123.314 -0.699 18277 10958 1 13 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.450 -0.450 18277 10959 1 13 . 1 1 130 130 TYR C C 129 178.544 178.544 177.413 1.131 18277 10960 1 13 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.352 0.756 18277 10961 1 13 . 1 1 130 130 TYR CB C 129 39.542 39.542 39.073 0.469 18277 10962 1 13 . 1 1 130 130 TYR H H 129 8.118 8.118 7.713 0.405 18277 10963 1 13 . 1 1 131 131 LEU N N 130 116.037 116.037 118.605 -2.568 18277 10964 1 13 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.166 0.183 18277 10965 1 13 . 1 1 131 131 LEU C C 130 179.368 179.368 179.299 0.069 18277 10966 1 13 . 1 1 131 131 LEU CA C 130 58.816 58.816 58.189 0.627 18277 10967 1 13 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.853 0.516 18277 10968 1 13 . 1 1 131 131 LEU H H 130 9.092 9.092 8.790 0.302 18277 10969 1 13 . 1 1 132 132 THR N N 131 113.629 113.629 108.853 4.776 18277 10970 1 13 . 1 1 132 132 THR HA H 131 4.007 4.007 4.179 -0.172 18277 10971 1 13 . 1 1 132 132 THR C C 131 177.255 177.255 176.442 0.813 18277 10972 1 13 . 1 1 132 132 THR CA C 131 66.505 66.505 65.044 1.461 18277 10973 1 13 . 1 1 132 132 THR CB C 131 68.052 68.052 68.692 -0.640 18277 10974 1 13 . 1 1 132 132 THR H H 131 8.129 8.129 8.012 0.117 18277 10975 1 13 . 1 1 133 133 ARG N N 132 124.720 124.720 122.771 1.949 18277 10976 1 13 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.067 0.049 18277 10977 1 13 . 1 1 133 133 ARG C C 132 178.921 178.921 178.223 0.698 18277 10978 1 13 . 1 1 133 133 ARG CA C 132 60.037 60.037 59.440 0.597 18277 10979 1 13 . 1 1 133 133 ARG CB C 132 30.274 30.274 29.855 0.419 18277 10980 1 13 . 1 1 133 133 ARG H H 132 8.187 8.187 7.632 0.555 18277 10981 1 13 . 1 1 134 134 TRP N N 133 120.307 120.307 120.015 0.292 18277 10982 1 13 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.143 0.084 18277 10983 1 13 . 1 1 134 134 TRP C C 133 177.823 177.823 178.148 -0.325 18277 10984 1 13 . 1 1 134 134 TRP CA C 133 62.470 62.470 61.779 0.691 18277 10985 1 13 . 1 1 134 134 TRP CB C 133 28.755 28.755 28.749 0.006 18277 10986 1 13 . 1 1 134 134 TRP H H 133 9.167 9.167 8.461 0.706 18277 10987 1 13 . 1 1 135 135 ILE N N 134 117.595 117.595 118.531 -0.936 18277 10988 1 13 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.119 0.464 18277 10989 1 13 . 1 1 135 135 ILE C C 134 176.333 176.333 177.595 -1.262 18277 10990 1 13 . 1 1 135 135 ILE CA C 134 60.708 60.708 64.011 -3.304 18277 10991 1 13 . 1 1 135 135 ILE CB C 134 37.133 37.133 37.913 -0.780 18277 10992 1 13 . 1 1 135 135 ILE H H 134 9.000 9.000 7.606 1.394 18277 10993 1 13 . 1 1 136 136 SER N N 135 116.548 116.548 113.861 2.687 18277 10994 1 13 . 1 1 136 136 SER HA H 135 3.931 3.931 3.910 0.021 18277 10995 1 13 . 1 1 136 136 SER C C 135 174.339 174.339 176.608 -2.269 18277 10996 1 13 . 1 1 136 136 SER CA C 135 62.535 62.535 60.657 1.878 18277 10997 1 13 . 1 1 136 136 SER CB C 135 62.820 62.820 62.979 -0.159 18277 10998 1 13 . 1 1 136 136 SER H H 135 7.592 7.592 8.059 -0.467 18277 10999 1 13 . 1 1 137 137 LEU N N 136 119.693 119.693 121.702 -2.009 18277 11000 1 13 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.193 0.004 18277 11001 1 13 . 1 1 137 137 LEU C C 136 178.376 178.376 177.122 1.254 18277 11002 1 13 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.804 0.312 18277 11003 1 13 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.718 0.270 18277 11004 1 13 . 1 1 137 137 LEU H H 136 7.247 7.247 7.734 -0.487 18277 11005 1 13 . 1 1 138 138 TYR N N 137 116.295 116.295 116.075 0.220 18277 11006 1 13 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.353 -0.709 18277 11007 1 13 . 1 1 138 138 TYR C C 137 178.142 178.142 177.317 0.825 18277 11008 1 13 . 1 1 138 138 TYR CA C 137 61.396 61.396 60.202 1.194 18277 11009 1 13 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.738 -0.831 18277 11010 1 13 . 1 1 138 138 TYR H H 137 8.057 8.057 7.919 0.138 18277 11011 1 13 . 1 1 139 139 ILE N N 138 117.755 117.755 120.990 -3.235 18277 11012 1 13 . 1 1 139 139 ILE HA H 138 3.818 3.818 3.980 -0.162 18277 11013 1 13 . 1 1 139 139 ILE C C 138 176.943 176.943 176.015 0.928 18277 11014 1 13 . 1 1 139 139 ILE CA C 138 61.684 61.684 60.416 1.268 18277 11015 1 13 . 1 1 139 139 ILE CB C 138 36.768 36.768 37.562 -0.794 18277 11016 1 13 . 1 1 139 139 ILE H H 138 8.371 8.371 8.473 -0.102 18277 11017 1 13 . 1 1 140 140 ARG N N 139 118.103 118.103 118.822 -0.719 18277 11018 1 13 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.216 -0.141 18277 11019 1 13 . 1 1 140 140 ARG C C 139 176.776 176.776 176.520 0.256 18277 11020 1 13 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.264 -0.735 18277 11021 1 13 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.782 0.059 18277 11022 1 13 . 1 1 140 140 ARG H H 139 6.762 6.762 7.762 -1.000 18277 11023 1 13 . 1 1 141 141 ILE N N 140 117.603 117.603 117.534 0.069 18277 11024 1 13 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.875 -0.104 18277 11025 1 13 . 1 1 141 141 ILE C C 140 176.448 176.448 175.959 0.489 18277 11026 1 13 . 1 1 141 141 ILE CA C 140 63.370 63.370 62.184 1.186 18277 11027 1 13 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.906 0.913 18277 11028 1 13 . 1 1 141 141 ILE H H 140 7.056 7.056 6.966 0.090 18277 11029 1 13 . 1 1 142 142 PHE N N 141 114.969 114.969 117.852 -2.883 18277 11030 1 13 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.564 -0.170 18277 11031 1 13 . 1 1 142 142 PHE C C 141 175.503 175.503 175.170 0.333 18277 11032 1 13 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.784 -0.658 18277 11033 1 13 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.526 -1.088 18277 11034 1 13 . 1 1 142 142 PHE H H 141 7.287 7.287 7.441 -0.154 18277 11035 1 13 . 1 1 143 143 ASP N N 142 116.492 116.492 119.206 -2.714 18277 11036 1 13 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.881 -0.136 18277 11037 1 13 . 1 1 143 143 ASP C C 142 175.131 175.131 175.411 -0.280 18277 11038 1 13 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.680 0.333 18277 11039 1 13 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.955 0.041 18277 11040 1 13 . 1 1 143 143 ASP H H 142 7.697 7.697 7.994 -0.297 18277 11041 1 13 . 1 1 144 144 LEU N N 143 126.435 126.435 126.244 0.191 18277 11042 1 13 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.361 -0.175 18277 11043 1 13 . 1 1 144 144 LEU C C 143 177.297 177.297 177.078 0.219 18277 11044 1 13 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.631 1.309 18277 11045 1 13 . 1 1 144 144 LEU CB C 143 42.609 42.609 42.278 0.331 18277 11046 1 13 . 1 1 144 144 LEU H H 143 8.790 8.790 8.749 0.041 18277 11047 1 13 . 1 1 145 145 ASN N N 144 114.711 114.711 117.400 -2.689 18277 11048 1 13 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.797 0.026 18277 11049 1 13 . 1 1 145 145 ASN C C 144 174.879 174.879 174.160 0.719 18277 11050 1 13 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.980 -0.829 18277 11051 1 13 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.104 -0.409 18277 11052 1 13 . 1 1 145 145 ASN H H 144 8.569 8.569 8.511 0.058 18277 11053 1 13 . 1 1 146 146 PHE N N 145 121.472 121.472 120.671 0.801 18277 11054 1 13 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.556 -0.047 18277 11055 1 13 . 1 1 146 146 PHE C C 145 173.397 173.397 173.565 -0.168 18277 11056 1 13 . 1 1 146 146 PHE CA C 145 57.895 57.895 56.676 1.218 18277 11057 1 13 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.339 0.648 18277 11058 1 13 . 1 1 146 146 PHE H H 145 7.214 7.214 7.924 -0.710 18277 11059 1 13 . 1 1 147 147 VAL N N 146 128.813 128.813 125.313 3.500 18277 11060 1 13 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.332 -0.260 18277 11061 1 13 . 1 1 147 147 VAL CA C 146 58.698 58.698 58.407 0.291 18277 11062 1 13 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.971 1.498 18277 11063 1 13 . 1 1 147 147 VAL H H 146 7.666 7.666 8.196 -0.530 18277 11064 1 14 . 1 1 2 2 MET N N 1 121.461 121.461 120.004 1.457 18277 11065 1 14 . 1 1 2 2 MET HA H 1 4.581 4.581 4.716 -0.135 18277 11066 1 14 . 1 1 2 2 MET C C 1 175.184 175.184 176.520 -1.336 18277 11067 1 14 . 1 1 2 2 MET CA C 1 55.447 55.447 55.315 0.133 18277 11068 1 14 . 1 1 2 2 MET CB C 1 34.107 34.107 34.476 -0.369 18277 11069 1 14 . 1 1 2 2 MET H H 1 8.431 8.431 8.556 -0.125 18277 11070 1 14 . 1 1 3 3 LEU N N 2 123.575 123.575 125.820 -2.245 18277 11071 1 14 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.168 0.302 18277 11072 1 14 . 1 1 3 3 LEU C C 2 176.479 176.479 176.344 0.135 18277 11073 1 14 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.686 -1.142 18277 11074 1 14 . 1 1 3 3 LEU CB C 2 43.200 43.200 42.118 1.082 18277 11075 1 14 . 1 1 3 3 LEU H H 2 8.678 8.678 7.904 0.774 18277 11076 1 14 . 1 1 4 4 THR N N 3 119.326 119.326 117.363 1.963 18277 11077 1 14 . 1 1 4 4 THR HA H 3 4.398 4.398 4.676 -0.278 18277 11078 1 14 . 1 1 4 4 THR C C 3 173.920 173.920 175.750 -1.830 18277 11079 1 14 . 1 1 4 4 THR CA C 3 61.025 61.025 61.035 -0.010 18277 11080 1 14 . 1 1 4 4 THR CB C 3 71.090 71.090 70.151 0.939 18277 11081 1 14 . 1 1 4 4 THR H H 3 8.541 8.541 7.789 0.752 18277 11082 1 14 . 1 1 5 5 LEU N N 4 122.107 122.107 120.149 1.958 18277 11083 1 14 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.747 -0.459 18277 11084 1 14 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.008 1.084 18277 11085 1 14 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.895 -0.089 18277 11086 1 14 . 1 1 5 5 LEU H H 4 8.777 8.777 8.242 0.535 18277 11087 1 14 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.379 -0.033 18277 11088 1 14 . 1 1 6 6 PRO C C 5 179.812 179.812 177.965 1.847 18277 11089 1 14 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.929 1.331 18277 11090 1 14 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.034 0.025 18277 11091 1 14 . 1 1 7 7 GLU N N 6 117.744 117.744 116.703 1.041 18277 11092 1 14 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.274 -0.248 18277 11093 1 14 . 1 1 7 7 GLU C C 6 178.359 178.359 176.957 1.402 18277 11094 1 14 . 1 1 7 7 GLU CA C 6 59.103 59.103 57.950 1.153 18277 11095 1 14 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.125 0.145 18277 11096 1 14 . 1 1 7 7 GLU H H 6 7.088 7.088 7.732 -0.644 18277 11097 1 14 . 1 1 8 8 TYR N N 7 120.825 120.825 117.768 3.057 18277 11098 1 14 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.512 -0.617 18277 11099 1 14 . 1 1 8 8 TYR C C 7 176.641 176.641 176.942 -0.301 18277 11100 1 14 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.240 2.279 18277 11101 1 14 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.179 -1.452 18277 11102 1 14 . 1 1 8 8 TYR H H 7 8.310 8.310 7.732 0.578 18277 11103 1 14 . 1 1 9 9 ASN N N 8 118.086 118.086 118.966 -0.880 18277 11104 1 14 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.186 0.132 18277 11105 1 14 . 1 1 9 9 ASN C C 8 179.060 179.060 177.556 1.504 18277 11106 1 14 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.306 0.468 18277 11107 1 14 . 1 1 9 9 ASN CB C 8 38.309 38.309 38.037 0.272 18277 11108 1 14 . 1 1 9 9 ASN H H 8 8.791 8.791 8.338 0.453 18277 11109 1 14 . 1 1 10 10 GLU N N 9 120.057 120.057 119.671 0.386 18277 11110 1 14 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.161 -0.048 18277 11111 1 14 . 1 1 10 10 GLU C C 9 177.853 177.853 177.025 0.828 18277 11112 1 14 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.539 -0.033 18277 11113 1 14 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.330 0.311 18277 11114 1 14 . 1 1 10 10 GLU H H 9 8.013 8.013 8.357 -0.344 18277 11115 1 14 . 1 1 11 11 GLN N N 10 116.468 116.468 115.427 1.041 18277 11116 1 14 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.644 -0.194 18277 11117 1 14 . 1 1 11 11 GLN C C 10 177.470 177.470 175.995 1.475 18277 11118 1 14 . 1 1 11 11 GLN CA C 10 56.997 56.997 54.902 2.095 18277 11119 1 14 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.690 1.035 18277 11120 1 14 . 1 1 11 11 GLN H H 10 7.488 7.488 7.389 0.099 18277 11121 1 14 . 1 1 12 12 ILE N N 11 124.393 124.393 122.502 1.891 18277 11122 1 14 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.731 0.097 18277 11123 1 14 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.760 -2.254 18277 11124 1 14 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.609 -1.351 18277 11125 1 14 . 1 1 12 12 ILE H H 11 7.605 7.605 7.188 0.417 18277 11126 1 14 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.519 -0.282 18277 11127 1 14 . 1 1 13 13 PRO C C 12 179.113 179.113 176.990 2.123 18277 11128 1 14 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.517 1.910 18277 11129 1 14 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.812 0.265 18277 11130 1 14 . 1 1 14 14 ASN N N 13 115.499 115.499 117.325 -1.826 18277 11131 1 14 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.767 -0.175 18277 11132 1 14 . 1 1 14 14 ASN C C 13 178.208 178.208 177.193 1.015 18277 11133 1 14 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.889 0.902 18277 11134 1 14 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.464 -0.420 18277 11135 1 14 . 1 1 14 14 ASN H H 13 7.793 7.793 8.031 -0.238 18277 11136 1 14 . 1 1 15 15 VAL N N 14 121.205 121.205 121.704 -0.499 18277 11137 1 14 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.807 -0.107 18277 11138 1 14 . 1 1 15 15 VAL C C 14 176.999 176.999 177.683 -0.684 18277 11139 1 14 . 1 1 15 15 VAL CA C 14 66.544 66.544 65.777 0.767 18277 11140 1 14 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.489 -0.064 18277 11141 1 14 . 1 1 15 15 VAL H H 14 7.704 7.704 7.958 -0.254 18277 11142 1 14 . 1 1 16 16 ARG N N 15 121.067 121.067 119.250 1.817 18277 11143 1 14 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.011 -0.297 18277 11144 1 14 . 1 1 16 16 ARG C C 15 178.150 178.150 178.251 -0.101 18277 11145 1 14 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.836 0.684 18277 11146 1 14 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.560 0.655 18277 11147 1 14 . 1 1 16 16 ARG H H 15 8.855 8.855 7.760 1.095 18277 11148 1 14 . 1 1 17 17 SER N N 16 112.741 112.741 116.011 -3.270 18277 11149 1 14 . 1 1 17 17 SER HA H 16 4.245 4.245 4.314 -0.069 18277 11150 1 14 . 1 1 17 17 SER C C 16 177.177 177.177 176.790 0.387 18277 11151 1 14 . 1 1 17 17 SER CA C 16 61.756 61.756 61.074 0.682 18277 11152 1 14 . 1 1 17 17 SER CB C 16 62.785 62.785 62.673 0.112 18277 11153 1 14 . 1 1 17 17 SER H H 16 7.987 7.987 7.828 0.159 18277 11154 1 14 . 1 1 18 18 LEU N N 17 122.703 122.703 120.070 2.633 18277 11155 1 14 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.451 -0.194 18277 11156 1 14 . 1 1 18 18 LEU C C 17 179.350 179.350 179.033 0.317 18277 11157 1 14 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.196 1.288 18277 11158 1 14 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.338 1.137 18277 11159 1 14 . 1 1 18 18 LEU H H 17 7.728 7.728 7.659 0.069 18277 11160 1 14 . 1 1 19 19 LEU N N 18 116.536 116.536 122.480 -5.944 18277 11161 1 14 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.350 -0.119 18277 11162 1 14 . 1 1 19 19 LEU C C 18 178.556 178.556 178.960 -0.404 18277 11163 1 14 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.985 -0.710 18277 11164 1 14 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.043 0.673 18277 11165 1 14 . 1 1 19 19 LEU H H 18 8.367 8.367 8.861 -0.494 18277 11166 1 14 . 1 1 20 20 THR N N 19 111.172 111.172 111.721 -0.549 18277 11167 1 14 . 1 1 20 20 THR HA H 19 4.072 4.072 4.126 -0.054 18277 11168 1 14 . 1 1 20 20 THR C C 19 175.433 175.433 175.876 -0.443 18277 11169 1 14 . 1 1 20 20 THR CA C 19 65.421 65.421 65.292 0.129 18277 11170 1 14 . 1 1 20 20 THR CB C 19 69.541 69.541 68.081 1.460 18277 11171 1 14 . 1 1 20 20 THR H H 19 7.926 7.926 7.897 0.029 18277 11172 1 14 . 1 1 21 21 LYS N N 20 117.696 117.696 118.783 -1.087 18277 11173 1 14 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.183 0.168 18277 11174 1 14 . 1 1 21 21 LYS C C 20 176.229 176.229 177.208 -0.979 18277 11175 1 14 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.339 0.175 18277 11176 1 14 . 1 1 21 21 LYS CB C 20 32.349 32.349 31.940 0.409 18277 11177 1 14 . 1 1 21 21 LYS H H 20 7.350 7.350 7.976 -0.626 18277 11178 1 14 . 1 1 22 22 TRP N N 21 123.258 123.258 122.931 0.327 18277 11179 1 14 . 1 1 22 22 TRP HA H 21 4.768 4.768 4.849 -0.081 18277 11180 1 14 . 1 1 22 22 TRP C C 21 177.333 177.333 176.494 0.839 18277 11181 1 14 . 1 1 22 22 TRP CA C 21 54.466 54.466 57.977 -3.510 18277 11182 1 14 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.421 0.461 18277 11183 1 14 . 1 1 22 22 TRP H H 21 7.710 7.710 8.244 -0.534 18277 11184 1 14 . 1 1 23 23 ALA N N 22 133.336 133.336 128.076 5.260 18277 11185 1 14 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.335 -0.189 18277 11186 1 14 . 1 1 23 23 ALA C C 22 177.467 177.467 177.565 -0.098 18277 11187 1 14 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.110 1.745 18277 11188 1 14 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.276 -0.312 18277 11189 1 14 . 1 1 23 23 ALA H H 22 9.658 9.658 8.614 1.044 18277 11190 1 14 . 1 1 24 24 LYS N N 23 111.352 111.352 117.663 -6.311 18277 11191 1 14 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.153 -0.153 18277 11192 1 14 . 1 1 24 24 LYS C C 23 175.467 175.467 175.873 -0.406 18277 11193 1 14 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.805 -1.283 18277 11194 1 14 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.587 0.720 18277 11195 1 14 . 1 1 24 24 LYS H H 23 5.756 5.756 8.355 -2.599 18277 11196 1 14 . 1 1 25 25 VAL N N 24 119.937 119.937 118.161 1.776 18277 11197 1 14 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.765 -0.387 18277 11198 1 14 . 1 1 25 25 VAL C C 24 175.634 175.634 175.935 -0.301 18277 11199 1 14 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.013 1.450 18277 11200 1 14 . 1 1 25 25 VAL CB C 24 32.021 32.021 30.759 1.262 18277 11201 1 14 . 1 1 25 25 VAL H H 24 7.179 7.179 7.218 -0.039 18277 11202 1 14 . 1 1 26 26 GLU N N 25 127.218 127.218 128.689 -1.471 18277 11203 1 14 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.239 0.169 18277 11204 1 14 . 1 1 26 26 GLU C C 25 176.448 176.448 176.161 0.287 18277 11205 1 14 . 1 1 26 26 GLU CA C 25 56.976 56.976 57.405 -0.429 18277 11206 1 14 . 1 1 26 26 GLU CB C 25 31.406 31.406 30.740 0.666 18277 11207 1 14 . 1 1 26 26 GLU H H 25 9.017 9.017 8.777 0.240 18277 11208 1 14 . 1 1 27 27 ARG N N 26 117.397 117.397 119.519 -2.122 18277 11209 1 14 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.515 0.012 18277 11210 1 14 . 1 1 27 27 ARG C C 26 173.508 173.508 174.022 -0.514 18277 11211 1 14 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.952 1.264 18277 11212 1 14 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.126 1.837 18277 11213 1 14 . 1 1 27 27 ARG H H 26 7.521 7.521 7.436 0.085 18277 11214 1 14 . 1 1 28 28 ILE N N 27 123.297 123.297 126.165 -2.868 18277 11215 1 14 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.446 0.235 18277 11216 1 14 . 1 1 28 28 ILE C C 27 173.872 173.872 175.231 -1.359 18277 11217 1 14 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.393 0.697 18277 11218 1 14 . 1 1 28 28 ILE CB C 27 40.685 40.685 37.991 2.694 18277 11219 1 14 . 1 1 28 28 ILE H H 27 8.662 8.662 8.511 0.151 18277 11220 1 14 . 1 1 29 29 GLN N N 28 125.810 125.810 128.259 -2.449 18277 11221 1 14 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.724 0.028 18277 11222 1 14 . 1 1 29 29 GLN C C 28 174.329 174.329 174.147 0.182 18277 11223 1 14 . 1 1 29 29 GLN CA C 28 54.069 54.069 53.827 0.242 18277 11224 1 14 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.097 -0.155 18277 11225 1 14 . 1 1 29 29 GLN H H 28 9.282 9.282 8.527 0.755 18277 11226 1 14 . 1 1 30 30 ASP N N 29 125.001 125.001 121.628 3.373 18277 11227 1 14 . 1 1 30 30 ASP HA H 29 4.886 4.886 5.211 -0.325 18277 11228 1 14 . 1 1 30 30 ASP C C 29 175.522 175.522 174.760 0.762 18277 11229 1 14 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.489 2.966 18277 11230 1 14 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.535 -2.212 18277 11231 1 14 . 1 1 30 30 ASP H H 29 8.666 8.666 8.448 0.218 18277 11232 1 14 . 1 1 31 31 VAL N N 30 116.978 116.978 113.725 3.253 18277 11233 1 14 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.564 0.080 18277 11234 1 14 . 1 1 31 31 VAL C C 30 175.448 175.448 176.196 -0.748 18277 11235 1 14 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.004 0.174 18277 11236 1 14 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.522 0.602 18277 11237 1 14 . 1 1 31 31 VAL H H 30 7.784 7.784 7.772 0.012 18277 11238 1 14 . 1 1 32 32 GLN N N 31 121.763 121.763 119.351 2.412 18277 11239 1 14 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.428 -0.395 18277 11240 1 14 . 1 1 32 32 GLN C C 31 176.620 176.620 175.090 1.530 18277 11241 1 14 . 1 1 32 32 GLN CA C 31 58.183 58.183 56.717 1.466 18277 11242 1 14 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.487 -0.445 18277 11243 1 14 . 1 1 32 32 GLN H H 31 8.515 8.515 8.716 -0.201 18277 11244 1 14 . 1 1 33 33 ASP N N 32 121.199 121.199 117.626 3.573 18277 11245 1 14 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.893 0.082 18277 11246 1 14 . 1 1 33 33 ASP C C 32 176.998 176.998 175.324 1.674 18277 11247 1 14 . 1 1 33 33 ASP CA C 32 55.528 55.528 53.975 1.553 18277 11248 1 14 . 1 1 33 33 ASP CB C 32 40.659 40.659 41.397 -0.738 18277 11249 1 14 . 1 1 33 33 ASP H H 32 9.134 9.134 8.099 1.035 18277 11250 1 14 . 1 1 34 34 GLY N N 33 106.691 106.691 106.519 0.172 18277 11251 1 14 . 1 1 34 34 GLY C C 33 171.453 171.453 172.338 -0.885 18277 11252 1 14 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.734 1.631 18277 11253 1 14 . 1 1 34 34 GLY H H 33 8.104 8.104 7.639 0.465 18277 11254 1 14 . 1 1 35 35 LEU N N 34 119.801 119.801 121.169 -1.368 18277 11255 1 14 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.944 0.339 18277 11256 1 14 . 1 1 35 35 LEU C C 34 174.568 174.568 174.112 0.456 18277 11257 1 14 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.334 -1.766 18277 11258 1 14 . 1 1 35 35 LEU CB C 34 49.272 49.272 46.724 2.549 18277 11259 1 14 . 1 1 35 35 LEU H H 34 8.491 8.491 7.877 0.614 18277 11260 1 14 . 1 1 36 36 GLN N N 35 121.349 121.349 120.257 1.092 18277 11261 1 14 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.410 -0.193 18277 11262 1 14 . 1 1 36 36 GLN C C 35 174.530 174.530 173.847 0.683 18277 11263 1 14 . 1 1 36 36 GLN CA C 35 54.764 54.764 55.176 -0.412 18277 11264 1 14 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.504 -0.024 18277 11265 1 14 . 1 1 36 36 GLN H H 35 8.992 8.992 8.850 0.142 18277 11266 1 14 . 1 1 37 37 LEU N N 36 126.882 126.882 125.245 1.637 18277 11267 1 14 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.185 0.173 18277 11268 1 14 . 1 1 37 37 LEU C C 36 174.519 174.519 176.335 -1.816 18277 11269 1 14 . 1 1 37 37 LEU CA C 36 54.931 54.931 52.109 2.822 18277 11270 1 14 . 1 1 37 37 LEU CB C 36 45.251 45.251 43.648 1.603 18277 11271 1 14 . 1 1 37 37 LEU H H 36 9.826 9.826 8.038 1.788 18277 11272 1 14 . 1 1 38 38 ASP N N 37 122.748 122.748 120.439 2.309 18277 11273 1 14 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.935 0.514 18277 11274 1 14 . 1 1 38 38 ASP C C 37 175.197 175.197 175.107 0.090 18277 11275 1 14 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.279 0.100 18277 11276 1 14 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.688 0.374 18277 11277 1 14 . 1 1 38 38 ASP H H 37 8.556 8.556 8.333 0.223 18277 11278 1 14 . 1 1 39 39 VAL N N 38 124.835 124.835 123.495 1.340 18277 11279 1 14 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.873 0.268 18277 11280 1 14 . 1 1 39 39 VAL C C 38 174.081 174.081 175.419 -1.338 18277 11281 1 14 . 1 1 39 39 VAL CA C 38 60.442 60.442 61.736 -1.294 18277 11282 1 14 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.426 2.168 18277 11283 1 14 . 1 1 39 39 VAL H H 38 9.495 9.495 8.727 0.768 18277 11284 1 14 . 1 1 40 40 ARG N N 39 131.221 131.221 126.643 4.578 18277 11285 1 14 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.597 -0.081 18277 11286 1 14 . 1 1 40 40 ARG C C 39 174.144 174.144 175.965 -1.821 18277 11287 1 14 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.438 0.066 18277 11288 1 14 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.216 -0.097 18277 11289 1 14 . 1 1 40 40 ARG H H 39 9.046 9.046 8.291 0.755 18277 11290 1 14 . 1 1 41 41 LEU N N 40 129.501 129.501 121.775 7.726 18277 11291 1 14 . 1 1 41 41 LEU HA H 40 4.026 4.026 3.958 0.068 18277 11292 1 14 . 1 1 41 41 LEU C C 40 176.934 176.934 176.992 -0.058 18277 11293 1 14 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.217 0.646 18277 11294 1 14 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.391 1.357 18277 11295 1 14 . 1 1 41 41 LEU H H 40 7.786 7.786 8.045 -0.259 18277 11296 1 14 . 1 1 42 42 LYS N N 41 112.553 112.553 114.702 -2.149 18277 11297 1 14 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.454 0.240 18277 11298 1 14 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.426 -1.247 18277 11299 1 14 . 1 1 42 42 LYS CB C 41 36.003 36.003 34.907 1.096 18277 11300 1 14 . 1 1 42 42 LYS H H 41 8.313 8.313 7.550 0.763 18277 11301 1 14 . 1 1 43 43 THR HA H 42 3.860 3.860 4.176 -0.316 18277 11302 1 14 . 1 1 43 43 THR C C 42 174.883 174.883 174.616 0.267 18277 11303 1 14 . 1 1 43 43 THR CA C 42 66.494 66.494 65.229 1.265 18277 11304 1 14 . 1 1 43 43 THR CB C 42 68.508 68.508 68.797 -0.289 18277 11305 1 14 . 1 1 44 44 ASP N N 43 114.795 114.795 117.332 -2.537 18277 11306 1 14 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.827 0.002 18277 11307 1 14 . 1 1 44 44 ASP C C 43 176.791 176.791 174.746 2.045 18277 11308 1 14 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.622 -0.701 18277 11309 1 14 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.663 0.407 18277 11310 1 14 . 1 1 44 44 ASP H H 43 7.759 7.759 8.142 -0.383 18277 11311 1 14 . 1 1 45 45 THR N N 44 115.323 115.323 117.420 -2.097 18277 11312 1 14 . 1 1 45 45 THR HA H 44 5.303 5.303 4.981 0.322 18277 11313 1 14 . 1 1 45 45 THR C C 44 171.480 171.480 172.911 -1.431 18277 11314 1 14 . 1 1 45 45 THR CA C 44 62.732 62.732 62.019 0.713 18277 11315 1 14 . 1 1 45 45 THR CB C 44 72.378 72.378 71.985 0.393 18277 11316 1 14 . 1 1 45 45 THR H H 44 7.551 7.551 8.182 -0.631 18277 11317 1 14 . 1 1 46 46 LEU N N 45 130.323 130.323 128.605 1.718 18277 11318 1 14 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.217 -0.263 18277 11319 1 14 . 1 1 46 46 LEU C C 45 174.048 174.048 174.222 -0.174 18277 11320 1 14 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.473 -0.116 18277 11321 1 14 . 1 1 46 46 LEU CB C 45 45.735 45.735 45.788 -0.053 18277 11322 1 14 . 1 1 46 46 LEU H H 45 9.590 9.590 8.477 1.113 18277 11323 1 14 . 1 1 47 47 LEU N N 46 127.468 127.468 128.567 -1.099 18277 11324 1 14 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.136 0.014 18277 11325 1 14 . 1 1 47 47 LEU C C 46 173.309 173.309 174.866 -1.557 18277 11326 1 14 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.082 0.505 18277 11327 1 14 . 1 1 47 47 LEU CB C 46 45.122 45.122 44.018 1.104 18277 11328 1 14 . 1 1 47 47 LEU H H 46 9.673 9.673 9.197 0.476 18277 11329 1 14 . 1 1 48 48 GLU N N 47 131.371 131.371 127.305 4.066 18277 11330 1 14 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.862 0.360 18277 11331 1 14 . 1 1 48 48 GLU C C 47 173.970 173.970 174.736 -0.766 18277 11332 1 14 . 1 1 48 48 GLU CA C 47 54.673 54.673 55.538 -0.865 18277 11333 1 14 . 1 1 48 48 GLU CB C 47 31.910 31.910 31.515 0.395 18277 11334 1 14 . 1 1 48 48 GLU H H 47 9.400 9.400 8.385 1.015 18277 11335 1 14 . 1 1 49 49 LEU N N 48 129.742 129.742 125.957 3.785 18277 11336 1 14 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.523 0.464 18277 11337 1 14 . 1 1 49 49 LEU C C 48 174.115 174.115 175.016 -0.901 18277 11338 1 14 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.172 0.501 18277 11339 1 14 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.287 1.351 18277 11340 1 14 . 1 1 49 49 LEU H H 48 9.433 9.433 7.936 1.497 18277 11341 1 14 . 1 1 50 50 HIS N N 49 126.356 126.356 125.312 1.044 18277 11342 1 14 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.293 0.127 18277 11343 1 14 . 1 1 50 50 HIS C C 49 174.293 174.293 174.828 -0.535 18277 11344 1 14 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.444 2.182 18277 11345 1 14 . 1 1 50 50 HIS CB C 49 33.850 33.850 30.929 2.921 18277 11346 1 14 . 1 1 50 50 HIS H H 49 9.575 9.575 9.070 0.505 18277 11347 1 14 . 1 1 51 51 ILE N N 50 123.679 123.679 126.559 -2.880 18277 11348 1 14 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.694 0.552 18277 11349 1 14 . 1 1 51 51 ILE C C 50 175.021 175.021 174.574 0.447 18277 11350 1 14 . 1 1 51 51 ILE CA C 50 60.592 60.592 60.576 0.016 18277 11351 1 14 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.744 1.027 18277 11352 1 14 . 1 1 51 51 ILE H H 50 8.991 8.991 8.056 0.935 18277 11353 1 14 . 1 1 52 52 TYR N N 51 126.281 126.281 125.190 1.091 18277 11354 1 14 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.562 -0.091 18277 11355 1 14 . 1 1 52 52 TYR C C 51 171.145 171.145 172.733 -1.588 18277 11356 1 14 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.606 0.006 18277 11357 1 14 . 1 1 52 52 TYR CB C 51 41.121 41.121 41.041 0.080 18277 11358 1 14 . 1 1 52 52 TYR H H 51 9.189 9.189 7.904 1.285 18277 11359 1 14 . 1 1 53 53 TYR N N 52 120.025 120.025 120.744 -0.719 18277 11360 1 14 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.477 -0.670 18277 11361 1 14 . 1 1 53 53 TYR C C 52 173.874 173.874 173.882 -0.008 18277 11362 1 14 . 1 1 53 53 TYR CA C 52 56.962 56.962 55.587 1.375 18277 11363 1 14 . 1 1 53 53 TYR CB C 52 39.544 39.544 40.564 -1.020 18277 11364 1 14 . 1 1 53 53 TYR H H 52 7.985 7.985 8.677 -0.692 18277 11365 1 14 . 1 1 54 54 ASP N N 53 127.411 127.411 126.016 1.395 18277 11366 1 14 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.805 -0.112 18277 11367 1 14 . 1 1 54 54 ASP C C 53 175.962 175.962 175.603 0.359 18277 11368 1 14 . 1 1 54 54 ASP CA C 53 52.977 52.977 53.065 -0.088 18277 11369 1 14 . 1 1 54 54 ASP CB C 53 43.028 43.028 42.191 0.837 18277 11370 1 14 . 1 1 54 54 ASP H H 53 7.449 7.449 8.102 -0.653 18277 11371 1 14 . 1 1 55 55 HIS N N 54 124.486 124.486 121.491 2.995 18277 11372 1 14 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.348 -0.369 18277 11373 1 14 . 1 1 55 55 HIS C C 54 175.406 175.406 175.453 -0.047 18277 11374 1 14 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.604 2.013 18277 11375 1 14 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.838 1.579 18277 11376 1 14 . 1 1 55 55 HIS H H 54 8.512 8.512 8.906 -0.394 18277 11377 1 14 . 1 1 56 56 VAL N N 55 120.625 120.625 115.698 4.927 18277 11378 1 14 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.905 -0.369 18277 11379 1 14 . 1 1 56 56 VAL C C 55 177.379 177.379 175.347 2.032 18277 11380 1 14 . 1 1 56 56 VAL CA C 55 65.174 65.174 63.674 1.500 18277 11381 1 14 . 1 1 56 56 VAL CB C 55 31.274 31.274 32.293 -1.019 18277 11382 1 14 . 1 1 56 56 VAL H H 55 8.397 8.397 7.771 0.626 18277 11383 1 14 . 1 1 57 57 TYR N N 56 115.771 115.771 115.600 0.171 18277 11384 1 14 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.642 -0.376 18277 11385 1 14 . 1 1 57 57 TYR C C 56 174.645 174.645 175.476 -0.831 18277 11386 1 14 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.244 1.482 18277 11387 1 14 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.482 0.084 18277 11388 1 14 . 1 1 57 57 TYR H H 56 7.641 7.641 7.727 -0.086 18277 11389 1 14 . 1 1 58 58 HIS N N 57 116.177 116.177 117.234 -1.057 18277 11390 1 14 . 1 1 58 58 HIS HA H 57 3.747 3.747 3.970 -0.223 18277 11391 1 14 . 1 1 58 58 HIS C C 57 172.860 172.860 173.447 -0.587 18277 11392 1 14 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.058 -0.410 18277 11393 1 14 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.095 -1.793 18277 11394 1 14 . 1 1 58 58 HIS H H 57 7.764 7.764 8.020 -0.256 18277 11395 1 14 . 1 1 59 59 VAL N N 58 104.729 104.729 110.646 -5.917 18277 11396 1 14 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.740 -0.040 18277 11397 1 14 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.437 -2.105 18277 11398 1 14 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.674 0.539 18277 11399 1 14 . 1 1 59 59 VAL H H 58 6.310 6.310 6.982 -0.672 18277 11400 1 14 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.578 -0.233 18277 11401 1 14 . 1 1 60 60 PRO C C 59 174.254 174.254 175.694 -1.440 18277 11402 1 14 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.619 -0.029 18277 11403 1 14 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.333 -1.557 18277 11404 1 14 . 1 1 61 61 SER N N 60 116.530 116.530 115.546 0.984 18277 11405 1 14 . 1 1 61 61 SER HA H 60 4.899 4.899 4.879 0.020 18277 11406 1 14 . 1 1 61 61 SER CA C 60 57.691 57.691 56.806 0.886 18277 11407 1 14 . 1 1 61 61 SER CB C 60 66.483 66.483 66.632 -0.149 18277 11408 1 14 . 1 1 61 61 SER H H 60 8.854 8.854 8.232 0.622 18277 11409 1 14 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.538 1.166 18277 11410 1 14 . 1 1 62 62 ILE C C 61 176.160 176.160 174.000 2.160 18277 11411 1 14 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.220 -1.302 18277 11412 1 14 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.300 0.489 18277 11413 1 14 . 1 1 63 63 LYS N N 62 123.794 123.794 127.924 -4.130 18277 11414 1 14 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.917 0.777 18277 11415 1 14 . 1 1 63 63 LYS C C 62 174.598 174.598 174.568 0.030 18277 11416 1 14 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.378 -0.870 18277 11417 1 14 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.056 0.647 18277 11418 1 14 . 1 1 63 63 LYS H H 62 9.011 9.011 8.507 0.504 18277 11419 1 14 . 1 1 64 64 PHE N N 63 116.267 116.267 122.672 -6.405 18277 11420 1 14 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.399 0.914 18277 11421 1 14 . 1 1 64 64 PHE C C 63 173.139 173.139 173.635 -0.496 18277 11422 1 14 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.506 1.087 18277 11423 1 14 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.894 0.047 18277 11424 1 14 . 1 1 64 64 PHE H H 63 9.776 9.776 7.802 1.974 18277 11425 1 14 . 1 1 65 65 ARG N N 64 116.428 116.428 119.026 -2.598 18277 11426 1 14 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.818 -0.037 18277 11427 1 14 . 1 1 65 65 ARG C C 64 173.867 173.867 175.082 -1.215 18277 11428 1 14 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.751 1.006 18277 11429 1 14 . 1 1 65 65 ARG CB C 64 35.068 35.068 33.332 1.736 18277 11430 1 14 . 1 1 65 65 ARG H H 64 9.257 9.257 8.153 1.104 18277 11431 1 14 . 1 1 66 66 LEU N N 65 121.826 121.826 123.747 -1.921 18277 11432 1 14 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.402 1.047 18277 11433 1 14 . 1 1 66 66 LEU C C 65 174.002 174.002 176.668 -2.666 18277 11434 1 14 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.569 -1.744 18277 11435 1 14 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.931 3.741 18277 11436 1 14 . 1 1 66 66 LEU H H 65 9.041 9.041 8.885 0.156 18277 11437 1 14 . 1 1 67 67 TRP N N 66 120.671 120.671 122.846 -2.175 18277 11438 1 14 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.037 0.286 18277 11439 1 14 . 1 1 67 67 TRP C C 66 175.763 175.763 175.276 0.487 18277 11440 1 14 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.551 -1.469 18277 11441 1 14 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.333 -0.162 18277 11442 1 14 . 1 1 67 67 TRP H H 66 9.366 9.366 8.629 0.737 18277 11443 1 14 . 1 1 68 68 SER N N 67 117.273 117.273 117.994 -0.721 18277 11444 1 14 . 1 1 68 68 SER HA H 67 5.297 5.297 5.119 0.178 18277 11445 1 14 . 1 1 68 68 SER C C 67 174.327 174.327 174.453 -0.126 18277 11446 1 14 . 1 1 68 68 SER CA C 67 56.883 56.883 56.509 0.374 18277 11447 1 14 . 1 1 68 68 SER CB C 67 65.230 65.230 63.837 1.393 18277 11448 1 14 . 1 1 68 68 SER H H 67 9.750 9.750 9.285 0.465 18277 11449 1 14 . 1 1 69 69 LEU N N 68 126.002 126.002 130.428 -4.426 18277 11450 1 14 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.459 0.299 18277 11451 1 14 . 1 1 69 69 LEU C C 68 176.022 176.022 176.179 -0.157 18277 11452 1 14 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.848 -1.469 18277 11453 1 14 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.613 0.758 18277 11454 1 14 . 1 1 69 69 LEU H H 68 8.119 8.119 7.974 0.145 18277 11455 1 14 . 1 1 70 70 ASP N N 69 124.828 124.828 125.650 -0.822 18277 11456 1 14 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.912 -0.131 18277 11457 1 14 . 1 1 70 70 ASP C C 69 176.396 176.396 175.892 0.504 18277 11458 1 14 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.772 0.612 18277 11459 1 14 . 1 1 70 70 ASP CB C 69 41.992 41.992 43.124 -1.133 18277 11460 1 14 . 1 1 70 70 ASP H H 69 8.572 8.572 8.066 0.506 18277 11461 1 14 . 1 1 71 71 THR N N 70 114.913 114.913 116.217 -1.304 18277 11462 1 14 . 1 1 71 71 THR HA H 70 4.531 4.531 4.476 0.055 18277 11463 1 14 . 1 1 71 71 THR C C 70 174.451 174.451 174.876 -0.425 18277 11464 1 14 . 1 1 71 71 THR CA C 70 61.742 61.742 61.525 0.217 18277 11465 1 14 . 1 1 71 71 THR CB C 70 69.950 69.950 68.883 1.067 18277 11466 1 14 . 1 1 71 71 THR H H 70 8.403 8.403 8.574 -0.171 18277 11467 1 14 . 1 1 72 72 GLU N N 71 123.605 123.605 121.599 2.006 18277 11468 1 14 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.108 0.133 18277 11469 1 14 . 1 1 72 72 GLU C C 71 176.451 176.451 177.521 -1.070 18277 11470 1 14 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.906 -1.699 18277 11471 1 14 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.784 0.626 18277 11472 1 14 . 1 1 72 72 GLU H H 71 8.542 8.542 8.569 -0.027 18277 11473 1 14 . 1 1 73 73 GLU N N 72 119.641 119.641 116.923 2.718 18277 11474 1 14 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.370 -0.259 18277 11475 1 14 . 1 1 73 73 GLU C C 72 175.577 175.577 175.475 0.102 18277 11476 1 14 . 1 1 73 73 GLU CA C 72 57.097 57.097 55.852 1.245 18277 11477 1 14 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.068 -0.725 18277 11478 1 14 . 1 1 73 73 GLU H H 72 8.503 8.503 8.125 0.378 18277 11479 1 14 . 1 1 74 74 ASP N N 73 117.882 117.882 118.721 -0.839 18277 11480 1 14 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.348 0.223 18277 11481 1 14 . 1 1 74 74 ASP C C 73 176.077 176.077 175.357 0.720 18277 11482 1 14 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.308 -0.814 18277 11483 1 14 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.090 1.848 18277 11484 1 14 . 1 1 74 74 ASP H H 73 8.228 8.228 8.344 -0.116 18277 11485 1 14 . 1 1 75 75 ILE N N 74 120.809 120.809 112.501 8.308 18277 11486 1 14 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.270 -0.061 18277 11487 1 14 . 1 1 75 75 ILE C C 74 175.939 175.939 175.900 0.039 18277 11488 1 14 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.288 1.038 18277 11489 1 14 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.451 0.218 18277 11490 1 14 . 1 1 75 75 ILE H H 74 8.089 8.089 8.069 0.020 18277 11491 1 14 . 1 1 76 76 SER N N 75 119.402 119.402 115.791 3.611 18277 11492 1 14 . 1 1 76 76 SER HA H 75 4.652 4.652 4.260 0.392 18277 11493 1 14 . 1 1 76 76 SER C C 75 174.313 174.313 174.282 0.031 18277 11494 1 14 . 1 1 76 76 SER CA C 75 58.778 58.778 58.431 0.347 18277 11495 1 14 . 1 1 76 76 SER CB C 75 63.860 63.860 62.756 1.104 18277 11496 1 14 . 1 1 76 76 SER H H 75 8.449 8.449 8.122 0.327 18277 11497 1 14 . 1 1 77 77 SER N N 76 118.644 118.644 115.620 3.024 18277 11498 1 14 . 1 1 77 77 SER HA H 76 4.588 4.588 4.610 -0.022 18277 11499 1 14 . 1 1 77 77 SER C C 76 173.094 173.094 173.344 -0.250 18277 11500 1 14 . 1 1 77 77 SER CA C 76 57.772 57.772 57.614 0.158 18277 11501 1 14 . 1 1 77 77 SER CB C 76 64.461 64.461 64.392 0.069 18277 11502 1 14 . 1 1 77 77 SER H H 76 8.280 8.280 7.742 0.538 18277 11503 1 14 . 1 1 78 78 LEU N N 77 123.896 123.896 114.255 9.641 18277 11504 1 14 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.151 -0.153 18277 11505 1 14 . 1 1 78 78 LEU C C 77 177.081 177.081 175.342 1.739 18277 11506 1 14 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.492 0.515 18277 11507 1 14 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.613 -1.592 18277 11508 1 14 . 1 1 78 78 LEU H H 77 7.981 7.981 8.255 -0.274 18277 11509 1 14 . 1 1 79 79 ARG N N 78 123.195 123.195 120.960 2.235 18277 11510 1 14 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.750 0.209 18277 11511 1 14 . 1 1 79 79 ARG C C 78 174.994 174.994 174.459 0.535 18277 11512 1 14 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.082 -0.418 18277 11513 1 14 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.317 -0.037 18277 11514 1 14 . 1 1 79 79 ARG H H 78 9.013 9.013 8.551 0.462 18277 11515 1 14 . 1 1 80 80 LEU N N 79 128.388 128.388 126.644 1.744 18277 11516 1 14 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.901 -0.123 18277 11517 1 14 . 1 1 80 80 LEU C C 79 177.216 177.216 175.781 1.435 18277 11518 1 14 . 1 1 80 80 LEU CA C 79 56.049 56.049 56.150 -0.101 18277 11519 1 14 . 1 1 80 80 LEU CB C 79 42.285 42.285 42.100 0.185 18277 11520 1 14 . 1 1 80 80 LEU H H 79 8.807 8.807 8.560 0.247 18277 11521 1 14 . 1 1 81 81 LEU N N 80 127.521 127.521 127.381 0.140 18277 11522 1 14 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.527 0.036 18277 11523 1 14 . 1 1 81 81 LEU C C 80 176.354 176.354 176.363 -0.009 18277 11524 1 14 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.498 -0.337 18277 11525 1 14 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.233 0.177 18277 11526 1 14 . 1 1 81 81 LEU H H 80 8.478 8.478 8.285 0.193 18277 11527 1 14 . 1 1 82 82 THR N N 81 121.108 121.108 117.482 3.626 18277 11528 1 14 . 1 1 82 82 THR HA H 81 4.391 4.391 4.576 -0.185 18277 11529 1 14 . 1 1 82 82 THR C C 81 173.678 173.678 174.125 -0.447 18277 11530 1 14 . 1 1 82 82 THR CA C 81 61.112 61.112 61.474 -0.362 18277 11531 1 14 . 1 1 82 82 THR CB C 81 68.941 68.941 69.108 -0.167 18277 11532 1 14 . 1 1 82 82 THR H H 81 8.735 8.735 8.194 0.541 18277 11533 1 14 . 1 1 83 83 LEU N N 82 125.276 125.276 124.108 1.168 18277 11534 1 14 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.925 -0.154 18277 11535 1 14 . 1 1 83 83 LEU C C 82 177.192 177.192 175.766 1.426 18277 11536 1 14 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.021 0.393 18277 11537 1 14 . 1 1 83 83 LEU CB C 82 44.525 44.525 43.426 1.099 18277 11538 1 14 . 1 1 83 83 LEU H H 82 7.985 7.985 7.925 0.060 18277 11539 1 14 . 1 1 84 84 SER N N 83 118.590 118.590 115.373 3.217 18277 11540 1 14 . 1 1 84 84 SER HA H 83 4.591 4.591 4.450 0.141 18277 11541 1 14 . 1 1 84 84 SER C C 83 174.317 174.317 175.550 -1.233 18277 11542 1 14 . 1 1 84 84 SER CA C 83 57.202 57.202 59.141 -1.939 18277 11543 1 14 . 1 1 84 84 SER CB C 83 65.345 65.345 64.048 1.297 18277 11544 1 14 . 1 1 84 84 SER H H 83 9.214 9.214 8.516 0.698 18277 11545 1 14 . 1 1 85 85 ASP N N 84 121.149 121.149 120.841 0.308 18277 11546 1 14 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.566 -0.223 18277 11547 1 14 . 1 1 85 85 ASP C C 84 178.027 178.027 178.022 0.005 18277 11548 1 14 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.036 1.755 18277 11549 1 14 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.623 1.363 18277 11550 1 14 . 1 1 85 85 ASP H H 84 9.014 9.014 8.805 0.209 18277 11551 1 14 . 1 1 86 86 SER N N 85 111.874 111.874 114.088 -2.214 18277 11552 1 14 . 1 1 86 86 SER HA H 85 4.110 4.110 4.253 -0.143 18277 11553 1 14 . 1 1 86 86 SER C C 85 177.696 177.696 175.332 2.364 18277 11554 1 14 . 1 1 86 86 SER CA C 85 61.560 61.560 61.253 0.307 18277 11555 1 14 . 1 1 86 86 SER CB C 85 62.355 62.355 62.943 -0.588 18277 11556 1 14 . 1 1 86 86 SER H H 85 8.467 8.467 8.525 -0.058 18277 11557 1 14 . 1 1 87 87 GLU N N 86 122.948 122.948 118.961 3.987 18277 11558 1 14 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.274 -0.197 18277 11559 1 14 . 1 1 87 87 GLU C C 86 180.335 180.335 179.185 1.150 18277 11560 1 14 . 1 1 87 87 GLU CA C 86 59.036 59.036 57.364 1.672 18277 11561 1 14 . 1 1 87 87 GLU CB C 86 30.819 30.819 30.091 0.728 18277 11562 1 14 . 1 1 87 87 GLU H H 86 7.660 7.660 7.402 0.258 18277 11563 1 14 . 1 1 88 88 LEU N N 87 122.341 122.341 123.146 -0.805 18277 11564 1 14 . 1 1 88 88 LEU HA H 87 3.883 3.883 3.941 -0.058 18277 11565 1 14 . 1 1 88 88 LEU C C 87 178.818 178.818 178.197 0.621 18277 11566 1 14 . 1 1 88 88 LEU CA C 87 58.074 58.074 58.255 -0.181 18277 11567 1 14 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.978 0.392 18277 11568 1 14 . 1 1 88 88 LEU H H 87 8.878 8.878 8.228 0.650 18277 11569 1 14 . 1 1 89 89 ARG N N 88 115.874 115.874 117.574 -1.700 18277 11570 1 14 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.010 0.116 18277 11571 1 14 . 1 1 89 89 ARG C C 88 176.552 176.552 178.006 -1.454 18277 11572 1 14 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.346 0.374 18277 11573 1 14 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.382 0.403 18277 11574 1 14 . 1 1 89 89 ARG H H 88 7.956 7.956 8.425 -0.469 18277 11575 1 14 . 1 1 90 90 SER N N 89 112.295 112.295 113.929 -1.634 18277 11576 1 14 . 1 1 90 90 SER HA H 89 4.565 4.565 4.313 0.252 18277 11577 1 14 . 1 1 90 90 SER C C 89 174.817 174.817 175.659 -0.842 18277 11578 1 14 . 1 1 90 90 SER CA C 89 60.043 60.043 60.911 -0.868 18277 11579 1 14 . 1 1 90 90 SER CB C 89 63.858 63.858 63.445 0.413 18277 11580 1 14 . 1 1 90 90 SER H H 89 7.481 7.481 7.918 -0.437 18277 11581 1 14 . 1 1 91 91 ILE N N 90 116.577 116.577 114.376 2.201 18277 11582 1 14 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.315 0.123 18277 11583 1 14 . 1 1 91 91 ILE C C 90 174.636 174.636 175.153 -0.517 18277 11584 1 14 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.733 0.529 18277 11585 1 14 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.993 1.616 18277 11586 1 14 . 1 1 91 91 ILE H H 90 7.372 7.372 7.836 -0.464 18277 11587 1 14 . 1 1 92 92 LEU N N 91 119.723 119.723 118.358 1.365 18277 11588 1 14 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.548 0.093 18277 11589 1 14 . 1 1 92 92 LEU C C 91 175.178 175.178 175.939 -0.761 18277 11590 1 14 . 1 1 92 92 LEU CA C 91 52.813 52.813 53.457 -0.644 18277 11591 1 14 . 1 1 92 92 LEU CB C 91 43.673 43.673 43.392 0.282 18277 11592 1 14 . 1 1 92 92 LEU H H 91 7.900 7.900 7.763 0.137 18277 11593 1 14 . 1 1 93 93 ASN N N 92 119.687 119.687 118.596 1.091 18277 11594 1 14 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.891 0.092 18277 11595 1 14 . 1 1 93 93 ASN C C 92 174.978 174.978 174.454 0.524 18277 11596 1 14 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.290 -0.919 18277 11597 1 14 . 1 1 93 93 ASN CB C 92 37.731 37.731 40.015 -2.284 18277 11598 1 14 . 1 1 93 93 ASN H H 92 8.916 8.916 8.420 0.496 18277 11599 1 14 . 1 1 94 94 LEU N N 93 121.052 121.052 124.359 -3.307 18277 11600 1 14 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.462 -0.516 18277 11601 1 14 . 1 1 94 94 LEU C C 93 177.367 177.367 178.563 -1.196 18277 11602 1 14 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.053 0.998 18277 11603 1 14 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.019 0.753 18277 11604 1 14 . 1 1 94 94 LEU H H 93 8.172 8.172 8.679 -0.507 18277 11605 1 14 . 1 1 95 95 GLY N N 94 105.340 105.340 108.244 -2.904 18277 11606 1 14 . 1 1 95 95 GLY C C 94 176.133 176.133 175.528 0.605 18277 11607 1 14 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.004 0.345 18277 11608 1 14 . 1 1 95 95 GLY H H 94 8.281 8.281 8.111 0.170 18277 11609 1 14 . 1 1 96 96 THR N N 95 117.040 117.040 117.061 -0.021 18277 11610 1 14 . 1 1 96 96 THR HA H 95 4.242 4.242 4.340 -0.098 18277 11611 1 14 . 1 1 96 96 THR C C 95 175.349 175.349 173.428 1.921 18277 11612 1 14 . 1 1 96 96 THR CA C 95 61.859 61.859 60.550 1.309 18277 11613 1 14 . 1 1 96 96 THR CB C 95 68.399 68.399 68.934 -0.535 18277 11614 1 14 . 1 1 96 96 THR H H 95 8.419 8.419 7.822 0.597 18277 11615 1 14 . 1 1 97 97 PHE N N 96 122.590 122.590 120.394 2.196 18277 11616 1 14 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.669 0.053 18277 11617 1 14 . 1 1 97 97 PHE C C 96 174.704 174.704 175.042 -0.338 18277 11618 1 14 . 1 1 97 97 PHE CA C 96 58.599 58.599 56.813 1.786 18277 11619 1 14 . 1 1 97 97 PHE CB C 96 39.149 39.149 42.240 -3.091 18277 11620 1 14 . 1 1 97 97 PHE H H 96 8.517 8.517 7.935 0.582 18277 11621 1 14 . 1 1 98 98 SER N N 97 114.201 114.201 115.448 -1.247 18277 11622 1 14 . 1 1 98 98 SER HA H 97 4.859 4.859 4.755 0.104 18277 11623 1 14 . 1 1 98 98 SER C C 97 173.002 173.002 172.560 0.442 18277 11624 1 14 . 1 1 98 98 SER CA C 97 57.346 57.346 57.896 -0.550 18277 11625 1 14 . 1 1 98 98 SER CB C 97 65.739 65.739 65.860 -0.121 18277 11626 1 14 . 1 1 98 98 SER H H 97 9.129 9.129 8.653 0.476 18277 11627 1 14 . 1 1 99 99 VAL N N 98 120.191 120.191 120.962 -0.771 18277 11628 1 14 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.829 0.690 18277 11629 1 14 . 1 1 99 99 VAL C C 98 175.574 175.574 174.487 1.087 18277 11630 1 14 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.270 -0.880 18277 11631 1 14 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.743 -0.317 18277 11632 1 14 . 1 1 99 99 VAL H H 98 8.655 8.655 8.652 0.003 18277 11633 1 14 . 1 1 100 100 THR N N 99 120.623 120.623 119.971 0.652 18277 11634 1 14 . 1 1 100 100 THR HA H 99 4.729 4.729 4.646 0.083 18277 11635 1 14 . 1 1 100 100 THR C C 99 172.605 172.605 172.302 0.303 18277 11636 1 14 . 1 1 100 100 THR CA C 99 61.114 61.114 61.610 -0.496 18277 11637 1 14 . 1 1 100 100 THR CB C 99 71.850 71.850 70.816 1.034 18277 11638 1 14 . 1 1 100 100 THR H H 99 8.997 8.997 8.826 0.171 18277 11639 1 14 . 1 1 101 101 LEU N N 100 127.613 127.613 129.367 -1.754 18277 11640 1 14 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.246 -0.297 18277 11641 1 14 . 1 1 101 101 LEU C C 100 176.666 176.666 175.818 0.848 18277 11642 1 14 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.727 0.962 18277 11643 1 14 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.255 -0.089 18277 11644 1 14 . 1 1 101 101 LEU H H 100 8.766 8.766 8.577 0.189 18277 11645 1 14 . 1 1 102 102 SER N N 101 119.771 119.771 122.004 -2.233 18277 11646 1 14 . 1 1 102 102 SER HA H 101 4.749 4.749 4.863 -0.114 18277 11647 1 14 . 1 1 102 102 SER C C 101 173.477 173.477 173.149 0.328 18277 11648 1 14 . 1 1 102 102 SER CA C 101 57.514 57.514 56.786 0.728 18277 11649 1 14 . 1 1 102 102 SER CB C 101 65.024 65.024 65.054 -0.030 18277 11650 1 14 . 1 1 102 102 SER H H 101 8.926 8.926 8.762 0.164 18277 11651 1 14 . 1 1 103 103 THR N N 102 117.853 117.853 117.685 0.168 18277 11652 1 14 . 1 1 103 103 THR HA H 102 4.618 4.618 5.039 -0.421 18277 11653 1 14 . 1 1 103 103 THR C C 102 174.020 174.020 173.802 0.218 18277 11654 1 14 . 1 1 103 103 THR CA C 102 61.991 61.991 61.141 0.850 18277 11655 1 14 . 1 1 103 103 THR CB C 102 69.972 69.972 71.206 -1.234 18277 11656 1 14 . 1 1 103 103 THR H H 102 8.409 8.409 8.153 0.256 18277 11657 1 14 . 1 1 104 104 ASP N N 103 125.295 125.295 123.499 1.796 18277 11658 1 14 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.848 -0.140 18277 11659 1 14 . 1 1 104 104 ASP C C 103 176.908 176.908 178.732 -1.824 18277 11660 1 14 . 1 1 104 104 ASP CA C 103 53.559 53.559 53.669 -0.110 18277 11661 1 14 . 1 1 104 104 ASP CB C 103 42.245 42.245 43.036 -0.791 18277 11662 1 14 . 1 1 104 104 ASP H H 103 8.598 8.598 8.208 0.390 18277 11663 1 14 . 1 1 105 105 MET N N 104 122.470 122.470 118.445 4.025 18277 11664 1 14 . 1 1 105 105 MET HA H 104 4.270 4.270 4.331 -0.061 18277 11665 1 14 . 1 1 105 105 MET C C 104 177.354 177.354 176.415 0.939 18277 11666 1 14 . 1 1 105 105 MET CA C 104 57.300 57.300 57.877 -0.577 18277 11667 1 14 . 1 1 105 105 MET CB C 104 32.108 32.108 32.289 -0.181 18277 11668 1 14 . 1 1 105 105 MET H H 104 8.719 8.719 8.603 0.116 18277 11669 1 14 . 1 1 106 106 GLU N N 105 118.752 118.752 117.950 0.802 18277 11670 1 14 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.313 -0.077 18277 11671 1 14 . 1 1 106 106 GLU C C 105 177.172 177.172 176.350 0.822 18277 11672 1 14 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.078 1.651 18277 11673 1 14 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.989 -0.213 18277 11674 1 14 . 1 1 106 106 GLU H H 105 8.306 8.306 7.936 0.370 18277 11675 1 14 . 1 1 107 107 MET N N 106 116.736 116.736 115.885 0.851 18277 11676 1 14 . 1 1 107 107 MET HA H 106 4.329 4.329 4.186 0.143 18277 11677 1 14 . 1 1 107 107 MET C C 106 176.319 176.319 175.855 0.464 18277 11678 1 14 . 1 1 107 107 MET CA C 106 55.514 55.514 56.592 -1.078 18277 11679 1 14 . 1 1 107 107 MET CB C 106 31.566 31.566 31.855 -0.289 18277 11680 1 14 . 1 1 107 107 MET H H 106 8.206 8.206 7.830 0.376 18277 11681 1 14 . 1 1 108 108 LYS N N 107 117.661 117.661 117.352 0.309 18277 11682 1 14 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.322 -0.236 18277 11683 1 14 . 1 1 108 108 LYS C C 107 176.049 176.049 175.718 0.331 18277 11684 1 14 . 1 1 108 108 LYS CA C 107 57.100 57.100 57.001 0.099 18277 11685 1 14 . 1 1 108 108 LYS CB C 107 30.890 30.890 33.270 -2.380 18277 11686 1 14 . 1 1 108 108 LYS H H 107 8.382 8.382 7.892 0.490 18277 11687 1 14 . 1 1 109 109 SER N N 108 113.019 113.019 115.557 -2.538 18277 11688 1 14 . 1 1 109 109 SER HA H 108 4.566 4.566 4.455 0.111 18277 11689 1 14 . 1 1 109 109 SER C C 108 172.969 172.969 172.034 0.935 18277 11690 1 14 . 1 1 109 109 SER CA C 108 56.997 56.997 57.264 -0.267 18277 11691 1 14 . 1 1 109 109 SER CB C 108 65.035 65.035 64.886 0.149 18277 11692 1 14 . 1 1 109 109 SER H H 108 7.892 7.892 7.761 0.131 18277 11693 1 14 . 1 1 110 110 VAL N N 109 121.915 121.915 122.428 -0.513 18277 11694 1 14 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.681 -0.279 18277 11695 1 14 . 1 1 110 110 VAL C C 109 174.706 174.706 174.006 0.700 18277 11696 1 14 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.545 1.429 18277 11697 1 14 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.239 -2.159 18277 11698 1 14 . 1 1 110 110 VAL H H 109 7.878 7.878 7.979 -0.101 18277 11699 1 14 . 1 1 111 111 TYR N N 110 122.247 122.247 121.133 1.114 18277 11700 1 14 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.566 -0.230 18277 11701 1 14 . 1 1 111 111 TYR C C 110 173.915 173.915 174.333 -0.418 18277 11702 1 14 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.303 1.960 18277 11703 1 14 . 1 1 111 111 TYR CB C 110 43.222 43.222 40.990 2.232 18277 11704 1 14 . 1 1 111 111 TYR H H 110 8.317 8.317 8.262 0.055 18277 11705 1 14 . 1 1 112 112 TYR N N 111 117.096 117.096 118.546 -1.450 18277 11706 1 14 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.745 0.124 18277 11707 1 14 . 1 1 112 112 TYR C C 111 175.418 175.418 175.253 0.165 18277 11708 1 14 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.554 0.629 18277 11709 1 14 . 1 1 112 112 TYR CB C 111 38.681 38.681 36.958 1.723 18277 11710 1 14 . 1 1 112 112 TYR H H 111 8.690 8.690 8.689 0.001 18277 11711 1 14 . 1 1 113 113 TYR N N 112 120.208 120.208 122.923 -2.715 18277 11712 1 14 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.748 0.191 18277 11713 1 14 . 1 1 113 113 TYR C C 112 176.674 176.674 176.552 0.122 18277 11714 1 14 . 1 1 113 113 TYR CA C 112 57.567 57.567 59.209 -1.642 18277 11715 1 14 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.401 2.523 18277 11716 1 14 . 1 1 113 113 TYR H H 112 9.374 9.374 8.873 0.501 18277 11717 1 14 . 1 1 114 114 ILE N N 113 121.490 121.490 125.574 -4.084 18277 11718 1 14 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.042 0.779 18277 11719 1 14 . 1 1 114 114 ILE C C 113 176.329 176.329 176.334 -0.005 18277 11720 1 14 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.304 -2.265 18277 11721 1 14 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.497 -1.532 18277 11722 1 14 . 1 1 114 114 ILE H H 113 8.076 8.076 8.721 -0.645 18277 11723 1 14 . 1 1 115 115 ASN N N 114 129.212 129.212 125.102 4.110 18277 11724 1 14 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.504 0.197 18277 11725 1 14 . 1 1 115 115 ASN C C 114 175.914 175.914 174.522 1.392 18277 11726 1 14 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.576 0.446 18277 11727 1 14 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.944 -0.395 18277 11728 1 14 . 1 1 115 115 ASN H H 114 8.959 8.959 8.506 0.453 18277 11729 1 14 . 1 1 116 116 ASN N N 115 121.613 121.613 122.385 -0.772 18277 11730 1 14 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.122 -0.253 18277 11731 1 14 . 1 1 116 116 ASN C C 115 178.040 178.040 175.349 2.691 18277 11732 1 14 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.552 0.228 18277 11733 1 14 . 1 1 116 116 ASN CB C 115 39.096 39.096 39.275 -0.179 18277 11734 1 14 . 1 1 116 116 ASN H H 115 8.464 8.464 8.389 0.075 18277 11735 1 14 . 1 1 117 117 CYS N N 116 120.777 120.777 117.709 3.068 18277 11736 1 14 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.542 0.202 18277 11737 1 14 . 1 1 117 117 CYS C C 116 174.635 174.635 174.212 0.423 18277 11738 1 14 . 1 1 117 117 CYS CA C 116 60.087 60.087 60.584 -0.497 18277 11739 1 14 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.845 -0.389 18277 11740 1 14 . 1 1 117 117 CYS H H 116 8.256 8.256 8.027 0.229 18277 11741 1 14 . 1 1 118 118 ASP N N 117 119.926 119.926 117.857 2.069 18277 11742 1 14 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.855 0.044 18277 11743 1 14 . 1 1 118 118 ASP C C 117 176.225 176.225 175.396 0.829 18277 11744 1 14 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.829 -0.419 18277 11745 1 14 . 1 1 118 118 ASP CB C 117 40.174 40.174 40.308 -0.134 18277 11746 1 14 . 1 1 118 118 ASP H H 117 8.420 8.420 7.980 0.440 18277 11747 1 14 . 1 1 119 119 THR N N 118 116.185 116.185 116.462 -0.277 18277 11748 1 14 . 1 1 119 119 THR HA H 118 4.315 4.315 4.291 0.024 18277 11749 1 14 . 1 1 119 119 THR C C 118 175.349 175.349 175.621 -0.272 18277 11750 1 14 . 1 1 119 119 THR CA C 118 66.029 66.029 65.128 0.901 18277 11751 1 14 . 1 1 119 119 THR CB C 118 69.654 69.654 69.832 -0.177 18277 11752 1 14 . 1 1 119 119 THR H H 118 7.712 7.712 8.489 -0.777 18277 11753 1 14 . 1 1 120 120 ASP N N 119 120.938 120.938 121.716 -0.778 18277 11754 1 14 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.669 -0.136 18277 11755 1 14 . 1 1 120 120 ASP C C 119 177.991 177.991 177.625 0.366 18277 11756 1 14 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.842 -0.936 18277 11757 1 14 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.723 0.214 18277 11758 1 14 . 1 1 120 120 ASP H H 119 8.730 8.730 8.726 0.004 18277 11759 1 14 . 1 1 121 121 ALA N N 120 122.818 122.818 118.638 4.180 18277 11760 1 14 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.302 -0.124 18277 11761 1 14 . 1 1 121 121 ALA C C 120 178.787 178.787 177.963 0.824 18277 11762 1 14 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.603 0.288 18277 11763 1 14 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.491 -0.020 18277 11764 1 14 . 1 1 121 121 ALA H H 120 8.033 8.033 8.432 -0.399 18277 11765 1 14 . 1 1 122 122 ASN N N 121 116.085 116.085 116.727 -0.642 18277 11766 1 14 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.709 -0.075 18277 11767 1 14 . 1 1 122 122 ASN C C 121 176.235 176.235 177.175 -0.940 18277 11768 1 14 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.673 -0.177 18277 11769 1 14 . 1 1 122 122 ASN CB C 121 38.889 38.889 40.053 -1.164 18277 11770 1 14 . 1 1 122 122 ASN H H 121 8.128 8.128 8.051 0.077 18277 11771 1 14 . 1 1 123 123 VAL N N 122 117.803 117.803 118.706 -0.903 18277 11772 1 14 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.996 -0.034 18277 11773 1 14 . 1 1 123 123 VAL C C 122 176.973 176.973 176.830 0.143 18277 11774 1 14 . 1 1 123 123 VAL CA C 122 63.916 63.916 64.509 -0.593 18277 11775 1 14 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.684 0.210 18277 11776 1 14 . 1 1 123 123 VAL H H 122 8.262 8.262 8.368 -0.106 18277 11777 1 14 . 1 1 124 124 GLY N N 123 110.472 110.472 106.904 3.568 18277 11778 1 14 . 1 1 124 124 GLY C C 123 174.107 174.107 174.900 -0.793 18277 11779 1 14 . 1 1 124 124 GLY CA C 123 45.401 45.401 45.909 -0.508 18277 11780 1 14 . 1 1 124 124 GLY H H 123 8.172 8.172 7.807 0.365 18277 11781 1 14 . 1 1 125 125 SER N N 124 113.065 113.065 115.512 -2.447 18277 11782 1 14 . 1 1 125 125 SER HA H 124 4.529 4.529 4.352 0.177 18277 11783 1 14 . 1 1 125 125 SER C C 124 174.664 174.664 174.770 -0.106 18277 11784 1 14 . 1 1 125 125 SER CA C 124 58.981 58.981 59.916 -0.935 18277 11785 1 14 . 1 1 125 125 SER CB C 124 64.492 64.492 63.985 0.507 18277 11786 1 14 . 1 1 125 125 SER H H 124 8.139 8.139 8.242 -0.103 18277 11787 1 14 . 1 1 126 126 ASP N N 125 121.312 121.312 121.231 0.081 18277 11788 1 14 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.385 0.322 18277 11789 1 14 . 1 1 126 126 ASP C C 125 177.029 177.029 176.317 0.712 18277 11790 1 14 . 1 1 126 126 ASP CA C 125 54.232 54.232 53.899 0.333 18277 11791 1 14 . 1 1 126 126 ASP CB C 125 40.878 40.878 41.279 -0.401 18277 11792 1 14 . 1 1 126 126 ASP H H 125 8.146 8.146 8.364 -0.218 18277 11793 1 14 . 1 1 127 127 VAL N N 126 123.444 123.444 118.756 4.688 18277 11794 1 14 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.732 0.094 18277 11795 1 14 . 1 1 127 127 VAL C C 126 177.304 177.304 177.348 -0.044 18277 11796 1 14 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.033 1.866 18277 11797 1 14 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.562 0.660 18277 11798 1 14 . 1 1 127 127 VAL H H 126 8.474 8.474 8.255 0.219 18277 11799 1 14 . 1 1 128 128 GLU N N 127 120.874 120.874 119.961 0.913 18277 11800 1 14 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.139 -0.206 18277 11801 1 14 . 1 1 128 128 GLU CA C 127 58.660 58.660 59.022 -0.362 18277 11802 1 14 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.506 -0.426 18277 11803 1 14 . 1 1 128 128 GLU H H 127 8.504 8.504 8.290 0.214 18277 11804 1 14 . 1 1 129 129 HIS HA H 128 4.749 4.749 5.024 -0.275 18277 11805 1 14 . 1 1 129 129 HIS C C 128 174.898 174.898 174.959 -0.061 18277 11806 1 14 . 1 1 129 129 HIS CA C 128 56.448 56.448 53.689 2.759 18277 11807 1 14 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.406 0.639 18277 11808 1 14 . 1 1 130 130 TYR N N 129 122.615 122.615 123.402 -0.787 18277 11809 1 14 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.373 -0.373 18277 11810 1 14 . 1 1 130 130 TYR C C 129 178.544 178.544 176.264 2.280 18277 11811 1 14 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.814 0.294 18277 11812 1 14 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.764 0.778 18277 11813 1 14 . 1 1 130 130 TYR H H 129 8.118 8.118 7.851 0.267 18277 11814 1 14 . 1 1 131 131 LEU N N 130 116.037 116.037 117.866 -1.829 18277 11815 1 14 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.246 0.103 18277 11816 1 14 . 1 1 131 131 LEU C C 130 179.368 179.368 178.975 0.393 18277 11817 1 14 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.413 1.403 18277 11818 1 14 . 1 1 131 131 LEU CB C 130 41.369 41.369 41.003 0.366 18277 11819 1 14 . 1 1 131 131 LEU H H 130 9.092 9.092 8.550 0.542 18277 11820 1 14 . 1 1 132 132 THR N N 131 113.629 113.629 110.293 3.336 18277 11821 1 14 . 1 1 132 132 THR HA H 131 4.007 4.007 4.318 -0.311 18277 11822 1 14 . 1 1 132 132 THR C C 131 177.255 177.255 176.473 0.782 18277 11823 1 14 . 1 1 132 132 THR CA C 131 66.505 66.505 64.856 1.649 18277 11824 1 14 . 1 1 132 132 THR CB C 131 68.052 68.052 68.431 -0.379 18277 11825 1 14 . 1 1 132 132 THR H H 131 8.129 8.129 7.891 0.238 18277 11826 1 14 . 1 1 133 133 ARG N N 132 124.720 124.720 122.929 1.791 18277 11827 1 14 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.220 -0.104 18277 11828 1 14 . 1 1 133 133 ARG C C 132 178.921 178.921 178.492 0.429 18277 11829 1 14 . 1 1 133 133 ARG CA C 132 60.037 60.037 59.706 0.331 18277 11830 1 14 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.186 0.088 18277 11831 1 14 . 1 1 133 133 ARG H H 132 8.187 8.187 8.319 -0.132 18277 11832 1 14 . 1 1 134 134 TRP N N 133 120.307 120.307 120.856 -0.549 18277 11833 1 14 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.278 -0.051 18277 11834 1 14 . 1 1 134 134 TRP C C 133 177.823 177.823 178.191 -0.368 18277 11835 1 14 . 1 1 134 134 TRP CA C 133 62.470 62.470 61.784 0.686 18277 11836 1 14 . 1 1 134 134 TRP CB C 133 28.755 28.755 29.013 -0.258 18277 11837 1 14 . 1 1 134 134 TRP H H 133 9.167 9.167 8.718 0.449 18277 11838 1 14 . 1 1 135 135 ILE N N 134 117.595 117.595 119.336 -1.741 18277 11839 1 14 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.178 0.405 18277 11840 1 14 . 1 1 135 135 ILE C C 134 176.333 176.333 177.739 -1.406 18277 11841 1 14 . 1 1 135 135 ILE CA C 134 60.708 60.708 64.210 -3.502 18277 11842 1 14 . 1 1 135 135 ILE CB C 134 37.133 37.133 37.994 -0.861 18277 11843 1 14 . 1 1 135 135 ILE H H 134 9.000 9.000 7.771 1.229 18277 11844 1 14 . 1 1 136 136 SER N N 135 116.548 116.548 113.727 2.821 18277 11845 1 14 . 1 1 136 136 SER HA H 135 3.931 3.931 4.245 -0.314 18277 11846 1 14 . 1 1 136 136 SER C C 135 174.339 174.339 175.871 -1.532 18277 11847 1 14 . 1 1 136 136 SER CA C 135 62.535 62.535 61.180 1.355 18277 11848 1 14 . 1 1 136 136 SER CB C 135 62.820 62.820 63.144 -0.324 18277 11849 1 14 . 1 1 136 136 SER H H 135 7.592 7.592 8.158 -0.566 18277 11850 1 14 . 1 1 137 137 LEU N N 136 119.693 119.693 120.318 -0.625 18277 11851 1 14 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.283 -0.086 18277 11852 1 14 . 1 1 137 137 LEU C C 136 178.376 178.376 177.507 0.869 18277 11853 1 14 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.877 0.240 18277 11854 1 14 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.817 0.171 18277 11855 1 14 . 1 1 137 137 LEU H H 136 7.247 7.247 7.540 -0.293 18277 11856 1 14 . 1 1 138 138 TYR N N 137 116.295 116.295 115.947 0.348 18277 11857 1 14 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.049 -0.405 18277 11858 1 14 . 1 1 138 138 TYR C C 137 178.142 178.142 177.453 0.689 18277 11859 1 14 . 1 1 138 138 TYR CA C 137 61.396 61.396 60.013 1.383 18277 11860 1 14 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.418 -0.511 18277 11861 1 14 . 1 1 138 138 TYR H H 137 8.057 8.057 7.979 0.078 18277 11862 1 14 . 1 1 139 139 ILE N N 138 117.755 117.755 121.679 -3.924 18277 11863 1 14 . 1 1 139 139 ILE HA H 138 3.818 3.818 3.754 0.064 18277 11864 1 14 . 1 1 139 139 ILE C C 138 176.943 176.943 176.206 0.737 18277 11865 1 14 . 1 1 139 139 ILE CA C 138 61.684 61.684 60.743 0.941 18277 11866 1 14 . 1 1 139 139 ILE CB C 138 36.768 36.768 37.432 -0.664 18277 11867 1 14 . 1 1 139 139 ILE H H 138 8.371 8.371 8.397 -0.026 18277 11868 1 14 . 1 1 140 140 ARG N N 139 118.103 118.103 118.646 -0.543 18277 11869 1 14 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.365 -0.290 18277 11870 1 14 . 1 1 140 140 ARG C C 139 176.776 176.776 176.680 0.096 18277 11871 1 14 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.276 -0.747 18277 11872 1 14 . 1 1 140 140 ARG CB C 139 29.841 29.841 30.061 -0.220 18277 11873 1 14 . 1 1 140 140 ARG H H 139 6.762 6.762 7.855 -1.093 18277 11874 1 14 . 1 1 141 141 ILE N N 140 117.603 117.603 118.068 -0.465 18277 11875 1 14 . 1 1 141 141 ILE HA H 140 3.771 3.771 4.098 -0.327 18277 11876 1 14 . 1 1 141 141 ILE C C 140 176.448 176.448 175.963 0.485 18277 11877 1 14 . 1 1 141 141 ILE CA C 140 63.370 63.370 62.419 0.951 18277 11878 1 14 . 1 1 141 141 ILE CB C 140 38.819 38.819 38.080 0.739 18277 11879 1 14 . 1 1 141 141 ILE H H 140 7.056 7.056 7.097 -0.041 18277 11880 1 14 . 1 1 142 142 PHE N N 141 114.969 114.969 118.257 -3.288 18277 11881 1 14 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.604 -0.210 18277 11882 1 14 . 1 1 142 142 PHE C C 141 175.503 175.503 174.304 1.199 18277 11883 1 14 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.915 -0.789 18277 11884 1 14 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.984 -1.546 18277 11885 1 14 . 1 1 142 142 PHE H H 141 7.287 7.287 7.448 -0.161 18277 11886 1 14 . 1 1 143 143 ASP N N 142 116.492 116.492 118.773 -2.281 18277 11887 1 14 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.968 -0.223 18277 11888 1 14 . 1 1 143 143 ASP C C 142 175.131 175.131 175.833 -0.702 18277 11889 1 14 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.535 0.478 18277 11890 1 14 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.867 0.129 18277 11891 1 14 . 1 1 143 143 ASP H H 142 7.697 7.697 8.137 -0.440 18277 11892 1 14 . 1 1 144 144 LEU N N 143 126.435 126.435 126.134 0.301 18277 11893 1 14 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.337 -0.151 18277 11894 1 14 . 1 1 144 144 LEU C C 143 177.297 177.297 176.830 0.467 18277 11895 1 14 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.822 1.117 18277 11896 1 14 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.925 0.684 18277 11897 1 14 . 1 1 144 144 LEU H H 143 8.790 8.790 8.866 -0.076 18277 11898 1 14 . 1 1 145 145 ASN N N 144 114.711 114.711 115.982 -1.271 18277 11899 1 14 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.833 -0.010 18277 11900 1 14 . 1 1 145 145 ASN C C 144 174.879 174.879 174.703 0.176 18277 11901 1 14 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.801 -0.650 18277 11902 1 14 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.472 -0.777 18277 11903 1 14 . 1 1 145 145 ASN H H 144 8.569 8.569 8.602 -0.033 18277 11904 1 14 . 1 1 146 146 PHE N N 145 121.472 121.472 122.684 -1.212 18277 11905 1 14 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.263 0.246 18277 11906 1 14 . 1 1 146 146 PHE C C 145 173.397 173.397 174.844 -1.447 18277 11907 1 14 . 1 1 146 146 PHE CA C 145 57.895 57.895 58.861 -0.966 18277 11908 1 14 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.509 0.478 18277 11909 1 14 . 1 1 146 146 PHE H H 145 7.214 7.214 7.383 -0.169 18277 11910 1 14 . 1 1 147 147 VAL N N 146 128.813 128.813 125.248 3.565 18277 11911 1 14 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.409 -0.337 18277 11912 1 14 . 1 1 147 147 VAL CA C 146 58.698 58.698 58.368 0.330 18277 11913 1 14 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.664 1.805 18277 11914 1 14 . 1 1 147 147 VAL H H 146 7.666 7.666 7.579 0.087 18277 11915 1 15 . 1 1 2 2 MET N N 1 121.461 121.461 121.158 0.303 18277 11916 1 15 . 1 1 2 2 MET HA H 1 4.581 4.581 4.482 0.099 18277 11917 1 15 . 1 1 2 2 MET C C 1 175.184 175.184 175.854 -0.670 18277 11918 1 15 . 1 1 2 2 MET CA C 1 55.447 55.447 54.766 0.681 18277 11919 1 15 . 1 1 2 2 MET CB C 1 34.107 34.107 33.924 0.183 18277 11920 1 15 . 1 1 2 2 MET H H 1 8.431 8.431 8.328 0.103 18277 11921 1 15 . 1 1 3 3 LEU N N 2 123.575 123.575 124.084 -0.509 18277 11922 1 15 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.205 0.265 18277 11923 1 15 . 1 1 3 3 LEU C C 2 176.479 176.479 176.506 -0.027 18277 11924 1 15 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.560 -1.016 18277 11925 1 15 . 1 1 3 3 LEU CB C 2 43.200 43.200 42.476 0.724 18277 11926 1 15 . 1 1 3 3 LEU H H 2 8.678 8.678 7.850 0.828 18277 11927 1 15 . 1 1 4 4 THR N N 3 119.326 119.326 116.465 2.861 18277 11928 1 15 . 1 1 4 4 THR HA H 3 4.398 4.398 4.745 -0.347 18277 11929 1 15 . 1 1 4 4 THR C C 3 173.920 173.920 175.591 -1.671 18277 11930 1 15 . 1 1 4 4 THR CA C 3 61.025 61.025 60.302 0.723 18277 11931 1 15 . 1 1 4 4 THR CB C 3 71.090 71.090 70.691 0.399 18277 11932 1 15 . 1 1 4 4 THR H H 3 8.541 8.541 7.540 1.001 18277 11933 1 15 . 1 1 5 5 LEU N N 4 122.107 122.107 119.860 2.247 18277 11934 1 15 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.418 -0.130 18277 11935 1 15 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.110 0.982 18277 11936 1 15 . 1 1 5 5 LEU CB C 4 38.806 38.806 39.113 -0.307 18277 11937 1 15 . 1 1 5 5 LEU H H 4 8.777 8.777 8.732 0.045 18277 11938 1 15 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.396 -0.050 18277 11939 1 15 . 1 1 6 6 PRO C C 5 179.812 179.812 177.946 1.866 18277 11940 1 15 . 1 1 6 6 PRO CA C 5 66.260 66.260 65.028 1.232 18277 11941 1 15 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.007 0.052 18277 11942 1 15 . 1 1 7 7 GLU N N 6 117.744 117.744 117.134 0.610 18277 11943 1 15 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.265 -0.239 18277 11944 1 15 . 1 1 7 7 GLU C C 6 178.359 178.359 177.054 1.305 18277 11945 1 15 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.282 0.820 18277 11946 1 15 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.173 0.097 18277 11947 1 15 . 1 1 7 7 GLU H H 6 7.088 7.088 7.844 -0.756 18277 11948 1 15 . 1 1 8 8 TYR N N 7 120.825 120.825 118.808 2.017 18277 11949 1 15 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.420 -0.525 18277 11950 1 15 . 1 1 8 8 TYR C C 7 176.641 176.641 177.447 -0.806 18277 11951 1 15 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.946 1.573 18277 11952 1 15 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.179 -1.452 18277 11953 1 15 . 1 1 8 8 TYR H H 7 8.310 8.310 7.783 0.527 18277 11954 1 15 . 1 1 9 9 ASN N N 8 118.086 118.086 118.560 -0.474 18277 11955 1 15 . 1 1 9 9 ASN HA H 8 4.318 4.318 3.976 0.342 18277 11956 1 15 . 1 1 9 9 ASN C C 8 179.060 179.060 177.830 1.230 18277 11957 1 15 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.775 -0.001 18277 11958 1 15 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.931 0.378 18277 11959 1 15 . 1 1 9 9 ASN H H 8 8.791 8.791 8.623 0.168 18277 11960 1 15 . 1 1 10 10 GLU N N 9 120.057 120.057 119.030 1.027 18277 11961 1 15 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.128 -0.015 18277 11962 1 15 . 1 1 10 10 GLU C C 9 177.853 177.853 176.930 0.923 18277 11963 1 15 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.510 -0.004 18277 11964 1 15 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.320 0.321 18277 11965 1 15 . 1 1 10 10 GLU H H 9 8.013 8.013 8.271 -0.258 18277 11966 1 15 . 1 1 11 11 GLN N N 10 116.468 116.468 116.173 0.295 18277 11967 1 15 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.548 -0.098 18277 11968 1 15 . 1 1 11 11 GLN C C 10 177.470 177.470 176.220 1.250 18277 11969 1 15 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.056 1.941 18277 11970 1 15 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.344 1.381 18277 11971 1 15 . 1 1 11 11 GLN H H 10 7.488 7.488 7.554 -0.066 18277 11972 1 15 . 1 1 12 12 ILE N N 11 124.393 124.393 122.419 1.974 18277 11973 1 15 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.728 0.100 18277 11974 1 15 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.559 -2.053 18277 11975 1 15 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.561 -1.303 18277 11976 1 15 . 1 1 12 12 ILE H H 11 7.605 7.605 7.145 0.460 18277 11977 1 15 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.467 -0.230 18277 11978 1 15 . 1 1 13 13 PRO C C 12 179.113 179.113 176.642 2.471 18277 11979 1 15 . 1 1 13 13 PRO CA C 12 66.427 66.427 63.924 2.503 18277 11980 1 15 . 1 1 13 13 PRO CB C 12 31.077 31.077 31.030 0.047 18277 11981 1 15 . 1 1 14 14 ASN N N 13 115.499 115.499 116.576 -1.077 18277 11982 1 15 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.706 -0.114 18277 11983 1 15 . 1 1 14 14 ASN C C 13 178.208 178.208 176.786 1.422 18277 11984 1 15 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.860 0.931 18277 11985 1 15 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.257 -0.213 18277 11986 1 15 . 1 1 14 14 ASN H H 13 7.793 7.793 7.843 -0.050 18277 11987 1 15 . 1 1 15 15 VAL N N 14 121.205 121.205 120.649 0.556 18277 11988 1 15 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.868 -0.168 18277 11989 1 15 . 1 1 15 15 VAL C C 14 176.999 176.999 177.336 -0.337 18277 11990 1 15 . 1 1 15 15 VAL CA C 14 66.544 66.544 65.681 0.863 18277 11991 1 15 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.728 -0.303 18277 11992 1 15 . 1 1 15 15 VAL H H 14 7.704 7.704 7.452 0.252 18277 11993 1 15 . 1 1 16 16 ARG N N 15 121.067 121.067 119.251 1.816 18277 11994 1 15 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.143 -0.429 18277 11995 1 15 . 1 1 16 16 ARG C C 15 178.150 178.150 177.538 0.612 18277 11996 1 15 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.343 1.177 18277 11997 1 15 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.616 0.599 18277 11998 1 15 . 1 1 16 16 ARG H H 15 8.855 8.855 7.647 1.208 18277 11999 1 15 . 1 1 17 17 SER N N 16 112.741 112.741 114.282 -1.541 18277 12000 1 15 . 1 1 17 17 SER HA H 16 4.245 4.245 4.428 -0.183 18277 12001 1 15 . 1 1 17 17 SER C C 16 177.177 177.177 176.642 0.535 18277 12002 1 15 . 1 1 17 17 SER CA C 16 61.756 61.756 60.782 0.974 18277 12003 1 15 . 1 1 17 17 SER CB C 16 62.785 62.785 63.239 -0.454 18277 12004 1 15 . 1 1 17 17 SER H H 16 7.987 7.987 7.729 0.258 18277 12005 1 15 . 1 1 18 18 LEU N N 17 122.703 122.703 121.789 0.914 18277 12006 1 15 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.477 -0.220 18277 12007 1 15 . 1 1 18 18 LEU C C 17 179.350 179.350 178.425 0.925 18277 12008 1 15 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.355 1.129 18277 12009 1 15 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.318 1.157 18277 12010 1 15 . 1 1 18 18 LEU H H 17 7.728 7.728 7.826 -0.098 18277 12011 1 15 . 1 1 19 19 LEU N N 18 116.536 116.536 120.883 -4.347 18277 12012 1 15 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.318 -0.087 18277 12013 1 15 . 1 1 19 19 LEU C C 18 178.556 178.556 179.104 -0.548 18277 12014 1 15 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.227 0.048 18277 12015 1 15 . 1 1 19 19 LEU CB C 18 41.716 41.716 40.160 1.556 18277 12016 1 15 . 1 1 19 19 LEU H H 18 8.367 8.367 8.674 -0.307 18277 12017 1 15 . 1 1 20 20 THR N N 19 111.172 111.172 109.211 1.961 18277 12018 1 15 . 1 1 20 20 THR HA H 19 4.072 4.072 4.159 -0.087 18277 12019 1 15 . 1 1 20 20 THR C C 19 175.433 175.433 175.795 -0.362 18277 12020 1 15 . 1 1 20 20 THR CA C 19 65.421 65.421 64.688 0.733 18277 12021 1 15 . 1 1 20 20 THR CB C 19 69.541 69.541 68.802 0.739 18277 12022 1 15 . 1 1 20 20 THR H H 19 7.926 7.926 7.607 0.319 18277 12023 1 15 . 1 1 21 21 LYS N N 20 117.696 117.696 118.921 -1.225 18277 12024 1 15 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.420 -0.069 18277 12025 1 15 . 1 1 21 21 LYS C C 20 176.229 176.229 176.974 -0.745 18277 12026 1 15 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.925 -0.411 18277 12027 1 15 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.862 -0.513 18277 12028 1 15 . 1 1 21 21 LYS H H 20 7.350 7.350 8.227 -0.877 18277 12029 1 15 . 1 1 22 22 TRP N N 21 123.258 123.258 122.044 1.214 18277 12030 1 15 . 1 1 22 22 TRP HA H 21 4.768 4.768 4.489 0.279 18277 12031 1 15 . 1 1 22 22 TRP C C 21 177.333 177.333 176.897 0.436 18277 12032 1 15 . 1 1 22 22 TRP CA C 21 54.466 54.466 56.861 -2.395 18277 12033 1 15 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.367 0.515 18277 12034 1 15 . 1 1 22 22 TRP H H 21 7.710 7.710 8.144 -0.434 18277 12035 1 15 . 1 1 23 23 ALA N N 22 133.336 133.336 130.021 3.315 18277 12036 1 15 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.332 -0.186 18277 12037 1 15 . 1 1 23 23 ALA C C 22 177.467 177.467 177.234 0.233 18277 12038 1 15 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.260 1.595 18277 12039 1 15 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.337 -0.373 18277 12040 1 15 . 1 1 23 23 ALA H H 22 9.658 9.658 8.912 0.746 18277 12041 1 15 . 1 1 24 24 LYS N N 23 111.352 111.352 116.441 -5.089 18277 12042 1 15 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.066 -0.066 18277 12043 1 15 . 1 1 24 24 LYS C C 23 175.467 175.467 175.283 0.184 18277 12044 1 15 . 1 1 24 24 LYS CA C 23 56.522 56.522 56.783 -0.261 18277 12045 1 15 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.598 0.708 18277 12046 1 15 . 1 1 24 24 LYS H H 23 5.756 5.756 7.651 -1.895 18277 12047 1 15 . 1 1 25 25 VAL N N 24 119.937 119.937 118.259 1.678 18277 12048 1 15 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.698 -0.320 18277 12049 1 15 . 1 1 25 25 VAL C C 24 175.634 175.634 175.941 -0.307 18277 12050 1 15 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.094 1.369 18277 12051 1 15 . 1 1 25 25 VAL CB C 24 32.021 32.021 30.493 1.528 18277 12052 1 15 . 1 1 25 25 VAL H H 24 7.179 7.179 7.164 0.015 18277 12053 1 15 . 1 1 26 26 GLU N N 25 127.218 127.218 127.876 -0.658 18277 12054 1 15 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.370 0.038 18277 12055 1 15 . 1 1 26 26 GLU C C 25 176.448 176.448 176.186 0.262 18277 12056 1 15 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.094 0.882 18277 12057 1 15 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.989 -0.583 18277 12058 1 15 . 1 1 26 26 GLU H H 25 9.017 9.017 8.860 0.157 18277 12059 1 15 . 1 1 27 27 ARG N N 26 117.397 117.397 119.518 -2.121 18277 12060 1 15 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.646 -0.119 18277 12061 1 15 . 1 1 27 27 ARG C C 26 173.508 173.508 174.246 -0.738 18277 12062 1 15 . 1 1 27 27 ARG CA C 26 56.216 56.216 55.293 0.923 18277 12063 1 15 . 1 1 27 27 ARG CB C 26 33.963 33.963 34.053 -0.090 18277 12064 1 15 . 1 1 27 27 ARG H H 26 7.521 7.521 7.586 -0.065 18277 12065 1 15 . 1 1 28 28 ILE N N 27 123.297 123.297 123.934 -0.637 18277 12066 1 15 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.369 0.312 18277 12067 1 15 . 1 1 28 28 ILE C C 27 173.872 173.872 174.438 -0.566 18277 12068 1 15 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.953 0.137 18277 12069 1 15 . 1 1 28 28 ILE CB C 27 40.685 40.685 39.562 1.123 18277 12070 1 15 . 1 1 28 28 ILE H H 27 8.662 8.662 8.519 0.143 18277 12071 1 15 . 1 1 29 29 GLN N N 28 125.810 125.810 127.533 -1.723 18277 12072 1 15 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.712 0.040 18277 12073 1 15 . 1 1 29 29 GLN C C 28 174.329 174.329 173.484 0.845 18277 12074 1 15 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.435 -0.366 18277 12075 1 15 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.441 -0.499 18277 12076 1 15 . 1 1 29 29 GLN H H 28 9.282 9.282 8.752 0.530 18277 12077 1 15 . 1 1 30 30 ASP N N 29 125.001 125.001 121.854 3.147 18277 12078 1 15 . 1 1 30 30 ASP HA H 29 4.886 4.886 5.469 -0.583 18277 12079 1 15 . 1 1 30 30 ASP C C 29 175.522 175.522 174.950 0.572 18277 12080 1 15 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.534 2.922 18277 12081 1 15 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.723 -2.400 18277 12082 1 15 . 1 1 30 30 ASP H H 29 8.666 8.666 8.294 0.372 18277 12083 1 15 . 1 1 31 31 VAL N N 30 116.978 116.978 117.645 -0.667 18277 12084 1 15 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.634 0.010 18277 12085 1 15 . 1 1 31 31 VAL C C 30 175.448 175.448 174.139 1.309 18277 12086 1 15 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.733 -0.555 18277 12087 1 15 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.650 0.474 18277 12088 1 15 . 1 1 31 31 VAL H H 30 7.784 7.784 8.232 -0.448 18277 12089 1 15 . 1 1 32 32 GLN N N 31 121.763 121.763 123.179 -1.416 18277 12090 1 15 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.298 -0.265 18277 12091 1 15 . 1 1 32 32 GLN C C 31 176.620 176.620 175.343 1.277 18277 12092 1 15 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.058 1.125 18277 12093 1 15 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.052 -0.010 18277 12094 1 15 . 1 1 32 32 GLN H H 31 8.515 8.515 8.565 -0.050 18277 12095 1 15 . 1 1 33 33 ASP N N 32 121.199 121.199 120.929 0.270 18277 12096 1 15 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.515 0.460 18277 12097 1 15 . 1 1 33 33 ASP C C 32 176.998 176.998 174.631 2.367 18277 12098 1 15 . 1 1 33 33 ASP CA C 32 55.528 55.528 54.476 1.052 18277 12099 1 15 . 1 1 33 33 ASP CB C 32 40.659 40.659 38.955 1.704 18277 12100 1 15 . 1 1 33 33 ASP H H 32 9.134 9.134 8.572 0.562 18277 12101 1 15 . 1 1 34 34 GLY N N 33 106.691 106.691 102.290 4.401 18277 12102 1 15 . 1 1 34 34 GLY C C 33 171.453 171.453 171.826 -0.373 18277 12103 1 15 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.786 1.579 18277 12104 1 15 . 1 1 34 34 GLY H H 33 8.104 8.104 7.648 0.456 18277 12105 1 15 . 1 1 35 35 LEU N N 34 119.801 119.801 119.650 0.151 18277 12106 1 15 . 1 1 35 35 LEU HA H 34 5.283 5.283 5.038 0.245 18277 12107 1 15 . 1 1 35 35 LEU C C 34 174.568 174.568 174.344 0.224 18277 12108 1 15 . 1 1 35 35 LEU CA C 34 53.568 53.568 54.709 -1.141 18277 12109 1 15 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.132 2.140 18277 12110 1 15 . 1 1 35 35 LEU H H 34 8.491 8.491 8.242 0.249 18277 12111 1 15 . 1 1 36 36 GLN N N 35 121.349 121.349 122.669 -1.320 18277 12112 1 15 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.587 -0.370 18277 12113 1 15 . 1 1 36 36 GLN C C 35 174.530 174.530 174.133 0.397 18277 12114 1 15 . 1 1 36 36 GLN CA C 35 54.764 54.764 53.927 0.837 18277 12115 1 15 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.449 0.031 18277 12116 1 15 . 1 1 36 36 GLN H H 35 8.992 8.992 8.935 0.057 18277 12117 1 15 . 1 1 37 37 LEU N N 36 126.882 126.882 126.967 -0.085 18277 12118 1 15 . 1 1 37 37 LEU HA H 36 5.358 5.358 4.860 0.498 18277 12119 1 15 . 1 1 37 37 LEU C C 36 174.519 174.519 175.366 -0.847 18277 12120 1 15 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.630 1.301 18277 12121 1 15 . 1 1 37 37 LEU CB C 36 45.251 45.251 45.055 0.196 18277 12122 1 15 . 1 1 37 37 LEU H H 36 9.826 9.826 8.649 1.177 18277 12123 1 15 . 1 1 38 38 ASP N N 37 122.748 122.748 123.211 -0.463 18277 12124 1 15 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.881 0.568 18277 12125 1 15 . 1 1 38 38 ASP C C 37 175.197 175.197 175.128 0.069 18277 12126 1 15 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.174 0.205 18277 12127 1 15 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.010 1.052 18277 12128 1 15 . 1 1 38 38 ASP H H 37 8.556 8.556 8.174 0.382 18277 12129 1 15 . 1 1 39 39 VAL N N 38 124.835 124.835 124.625 0.210 18277 12130 1 15 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.513 0.628 18277 12131 1 15 . 1 1 39 39 VAL C C 38 174.081 174.081 174.995 -0.914 18277 12132 1 15 . 1 1 39 39 VAL CA C 38 60.442 60.442 61.625 -1.183 18277 12133 1 15 . 1 1 39 39 VAL CB C 38 34.594 34.594 30.689 3.905 18277 12134 1 15 . 1 1 39 39 VAL H H 38 9.495 9.495 8.221 1.274 18277 12135 1 15 . 1 1 40 40 ARG N N 39 131.221 131.221 129.326 1.895 18277 12136 1 15 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.349 0.167 18277 12137 1 15 . 1 1 40 40 ARG C C 39 174.144 174.144 175.484 -1.340 18277 12138 1 15 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.925 -0.421 18277 12139 1 15 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.422 -0.303 18277 12140 1 15 . 1 1 40 40 ARG H H 39 9.046 9.046 8.443 0.603 18277 12141 1 15 . 1 1 41 41 LEU N N 40 129.501 129.501 125.114 4.387 18277 12142 1 15 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.117 -0.091 18277 12143 1 15 . 1 1 41 41 LEU C C 40 176.934 176.934 177.673 -0.739 18277 12144 1 15 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.410 0.453 18277 12145 1 15 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.484 1.264 18277 12146 1 15 . 1 1 41 41 LEU H H 40 7.786 7.786 8.118 -0.332 18277 12147 1 15 . 1 1 42 42 LYS N N 41 112.553 112.553 115.913 -3.360 18277 12148 1 15 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.482 0.212 18277 12149 1 15 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.044 -0.865 18277 12150 1 15 . 1 1 42 42 LYS CB C 41 36.003 36.003 34.778 1.225 18277 12151 1 15 . 1 1 42 42 LYS H H 41 8.313 8.313 7.456 0.857 18277 12152 1 15 . 1 1 43 43 THR HA H 42 3.860 3.860 4.102 -0.242 18277 12153 1 15 . 1 1 43 43 THR C C 42 174.883 174.883 174.163 0.720 18277 12154 1 15 . 1 1 43 43 THR CA C 42 66.494 66.494 65.151 1.343 18277 12155 1 15 . 1 1 43 43 THR CB C 42 68.508 68.508 68.818 -0.310 18277 12156 1 15 . 1 1 44 44 ASP N N 43 114.795 114.795 117.003 -2.208 18277 12157 1 15 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.901 -0.072 18277 12158 1 15 . 1 1 44 44 ASP C C 43 176.791 176.791 174.985 1.806 18277 12159 1 15 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.533 -0.612 18277 12160 1 15 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.599 0.471 18277 12161 1 15 . 1 1 44 44 ASP H H 43 7.759 7.759 8.223 -0.464 18277 12162 1 15 . 1 1 45 45 THR N N 44 115.323 115.323 116.153 -0.830 18277 12163 1 15 . 1 1 45 45 THR HA H 44 5.303 5.303 4.740 0.563 18277 12164 1 15 . 1 1 45 45 THR C C 44 171.480 171.480 172.791 -1.311 18277 12165 1 15 . 1 1 45 45 THR CA C 44 62.732 62.732 61.682 1.050 18277 12166 1 15 . 1 1 45 45 THR CB C 44 72.378 72.378 72.421 -0.043 18277 12167 1 15 . 1 1 45 45 THR H H 44 7.551 7.551 8.212 -0.661 18277 12168 1 15 . 1 1 46 46 LEU N N 45 130.323 130.323 125.739 4.584 18277 12169 1 15 . 1 1 46 46 LEU HA H 45 4.954 4.954 4.827 0.127 18277 12170 1 15 . 1 1 46 46 LEU C C 45 174.048 174.048 173.791 0.257 18277 12171 1 15 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.969 -0.612 18277 12172 1 15 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.417 -0.682 18277 12173 1 15 . 1 1 46 46 LEU H H 45 9.590 9.590 8.594 0.996 18277 12174 1 15 . 1 1 47 47 LEU N N 46 127.468 127.468 127.359 0.109 18277 12175 1 15 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.465 -0.315 18277 12176 1 15 . 1 1 47 47 LEU C C 46 173.309 173.309 175.111 -1.802 18277 12177 1 15 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.399 0.188 18277 12178 1 15 . 1 1 47 47 LEU CB C 46 45.122 45.122 44.023 1.099 18277 12179 1 15 . 1 1 47 47 LEU H H 46 9.673 9.673 8.966 0.707 18277 12180 1 15 . 1 1 48 48 GLU N N 47 131.371 131.371 126.847 4.524 18277 12181 1 15 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.770 0.452 18277 12182 1 15 . 1 1 48 48 GLU C C 47 173.970 173.970 175.194 -1.224 18277 12183 1 15 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.708 -2.035 18277 12184 1 15 . 1 1 48 48 GLU CB C 47 31.910 31.910 31.075 0.835 18277 12185 1 15 . 1 1 48 48 GLU H H 47 9.400 9.400 8.801 0.599 18277 12186 1 15 . 1 1 49 49 LEU N N 48 129.742 129.742 126.319 3.423 18277 12187 1 15 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.697 0.290 18277 12188 1 15 . 1 1 49 49 LEU C C 48 174.115 174.115 174.785 -0.670 18277 12189 1 15 . 1 1 49 49 LEU CA C 48 54.673 54.673 53.852 0.820 18277 12190 1 15 . 1 1 49 49 LEU CB C 48 45.638 45.638 45.565 0.073 18277 12191 1 15 . 1 1 49 49 LEU H H 48 9.433 9.433 8.466 0.967 18277 12192 1 15 . 1 1 50 50 HIS N N 49 126.356 126.356 122.565 3.791 18277 12193 1 15 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.622 -0.202 18277 12194 1 15 . 1 1 50 50 HIS C C 49 174.293 174.293 174.734 -0.441 18277 12195 1 15 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.614 2.012 18277 12196 1 15 . 1 1 50 50 HIS CB C 49 33.850 33.850 31.492 2.358 18277 12197 1 15 . 1 1 50 50 HIS H H 49 9.575 9.575 9.037 0.538 18277 12198 1 15 . 1 1 51 51 ILE N N 50 123.679 123.679 126.292 -2.613 18277 12199 1 15 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.307 0.939 18277 12200 1 15 . 1 1 51 51 ILE C C 50 175.021 175.021 173.706 1.315 18277 12201 1 15 . 1 1 51 51 ILE CA C 50 60.592 60.592 60.330 0.262 18277 12202 1 15 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.353 1.418 18277 12203 1 15 . 1 1 51 51 ILE H H 50 8.991 8.991 8.445 0.546 18277 12204 1 15 . 1 1 52 52 TYR N N 51 126.281 126.281 125.438 0.843 18277 12205 1 15 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.320 0.151 18277 12206 1 15 . 1 1 52 52 TYR C C 51 171.145 171.145 173.295 -2.150 18277 12207 1 15 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.155 0.457 18277 12208 1 15 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.991 0.130 18277 12209 1 15 . 1 1 52 52 TYR H H 51 9.189 9.189 7.704 1.485 18277 12210 1 15 . 1 1 53 53 TYR N N 52 120.025 120.025 124.593 -4.568 18277 12211 1 15 . 1 1 53 53 TYR HA H 52 3.807 3.807 3.945 -0.138 18277 12212 1 15 . 1 1 53 53 TYR C C 52 173.874 173.874 173.923 -0.049 18277 12213 1 15 . 1 1 53 53 TYR CA C 52 56.962 56.962 57.835 -0.873 18277 12214 1 15 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.094 0.450 18277 12215 1 15 . 1 1 53 53 TYR H H 52 7.985 7.985 8.321 -0.336 18277 12216 1 15 . 1 1 54 54 ASP N N 53 127.411 127.411 125.071 2.340 18277 12217 1 15 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.865 -0.172 18277 12218 1 15 . 1 1 54 54 ASP C C 53 175.962 175.962 175.566 0.396 18277 12219 1 15 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.729 1.248 18277 12220 1 15 . 1 1 54 54 ASP CB C 53 43.028 43.028 43.077 -0.049 18277 12221 1 15 . 1 1 54 54 ASP H H 53 7.449 7.449 7.910 -0.461 18277 12222 1 15 . 1 1 55 55 HIS N N 54 124.486 124.486 123.793 0.693 18277 12223 1 15 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.323 -0.344 18277 12224 1 15 . 1 1 55 55 HIS C C 54 175.406 175.406 174.699 0.707 18277 12225 1 15 . 1 1 55 55 HIS CA C 54 58.617 58.617 57.011 1.606 18277 12226 1 15 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.240 2.177 18277 12227 1 15 . 1 1 55 55 HIS H H 54 8.512 8.512 8.853 -0.341 18277 12228 1 15 . 1 1 56 56 VAL N N 55 120.625 120.625 119.435 1.190 18277 12229 1 15 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.674 -0.138 18277 12230 1 15 . 1 1 56 56 VAL C C 55 177.379 177.379 176.184 1.195 18277 12231 1 15 . 1 1 56 56 VAL CA C 55 65.174 65.174 65.621 -0.447 18277 12232 1 15 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.932 -0.658 18277 12233 1 15 . 1 1 56 56 VAL H H 55 8.397 8.397 7.653 0.744 18277 12234 1 15 . 1 1 57 57 TYR N N 56 115.771 115.771 115.195 0.576 18277 12235 1 15 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.642 -0.376 18277 12236 1 15 . 1 1 57 57 TYR C C 56 174.645 174.645 174.717 -0.072 18277 12237 1 15 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.449 1.277 18277 12238 1 15 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.585 -0.019 18277 12239 1 15 . 1 1 57 57 TYR H H 56 7.641 7.641 7.440 0.201 18277 12240 1 15 . 1 1 58 58 HIS N N 57 116.177 116.177 115.746 0.431 18277 12241 1 15 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.128 -0.381 18277 12242 1 15 . 1 1 58 58 HIS C C 57 172.860 172.860 172.978 -0.118 18277 12243 1 15 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.572 -0.924 18277 12244 1 15 . 1 1 58 58 HIS CB C 57 25.302 25.302 26.959 -1.657 18277 12245 1 15 . 1 1 58 58 HIS H H 57 7.764 7.764 7.450 0.314 18277 12246 1 15 . 1 1 59 59 VAL N N 58 104.729 104.729 111.387 -6.658 18277 12247 1 15 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.555 0.145 18277 12248 1 15 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.233 -1.901 18277 12249 1 15 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.463 0.750 18277 12250 1 15 . 1 1 59 59 VAL H H 58 6.310 6.310 7.345 -1.035 18277 12251 1 15 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.114 0.231 18277 12252 1 15 . 1 1 60 60 PRO C C 59 174.254 174.254 175.656 -1.402 18277 12253 1 15 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.877 -0.287 18277 12254 1 15 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.603 -1.827 18277 12255 1 15 . 1 1 61 61 SER N N 60 116.530 116.530 114.207 2.323 18277 12256 1 15 . 1 1 61 61 SER HA H 60 4.899 4.899 4.705 0.194 18277 12257 1 15 . 1 1 61 61 SER CA C 60 57.691 57.691 56.745 0.946 18277 12258 1 15 . 1 1 61 61 SER CB C 60 66.483 66.483 66.682 -0.199 18277 12259 1 15 . 1 1 61 61 SER H H 60 8.854 8.854 7.936 0.918 18277 12260 1 15 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.310 1.394 18277 12261 1 15 . 1 1 62 62 ILE C C 61 176.160 176.160 173.938 2.222 18277 12262 1 15 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.335 -1.417 18277 12263 1 15 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.104 0.685 18277 12264 1 15 . 1 1 63 63 LYS N N 62 123.794 123.794 127.255 -3.461 18277 12265 1 15 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.701 0.993 18277 12266 1 15 . 1 1 63 63 LYS C C 62 174.598 174.598 174.289 0.309 18277 12267 1 15 . 1 1 63 63 LYS CA C 62 54.508 54.508 56.124 -1.616 18277 12268 1 15 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.040 0.663 18277 12269 1 15 . 1 1 63 63 LYS H H 62 9.011 9.011 8.337 0.674 18277 12270 1 15 . 1 1 64 64 PHE N N 63 116.267 116.267 122.422 -6.155 18277 12271 1 15 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.349 0.964 18277 12272 1 15 . 1 1 64 64 PHE C C 63 173.139 173.139 173.405 -0.266 18277 12273 1 15 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.332 1.261 18277 12274 1 15 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.450 0.491 18277 12275 1 15 . 1 1 64 64 PHE H H 63 9.776 9.776 7.514 2.262 18277 12276 1 15 . 1 1 65 65 ARG N N 64 116.428 116.428 118.150 -1.722 18277 12277 1 15 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.961 -0.180 18277 12278 1 15 . 1 1 65 65 ARG C C 64 173.867 173.867 174.412 -0.545 18277 12279 1 15 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.958 0.799 18277 12280 1 15 . 1 1 65 65 ARG CB C 64 35.068 35.068 34.514 0.554 18277 12281 1 15 . 1 1 65 65 ARG H H 64 9.257 9.257 8.877 0.380 18277 12282 1 15 . 1 1 66 66 LEU N N 65 121.826 121.826 121.960 -0.134 18277 12283 1 15 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.616 0.833 18277 12284 1 15 . 1 1 66 66 LEU C C 65 174.002 174.002 176.591 -2.589 18277 12285 1 15 . 1 1 66 66 LEU CA C 65 53.826 53.826 54.679 -0.853 18277 12286 1 15 . 1 1 66 66 LEU CB C 65 46.672 46.672 43.510 3.162 18277 12287 1 15 . 1 1 66 66 LEU H H 65 9.041 9.041 8.656 0.385 18277 12288 1 15 . 1 1 67 67 TRP N N 66 120.671 120.671 121.694 -1.023 18277 12289 1 15 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.140 0.183 18277 12290 1 15 . 1 1 67 67 TRP C C 66 175.763 175.763 175.370 0.393 18277 12291 1 15 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.714 -1.632 18277 12292 1 15 . 1 1 67 67 TRP CB C 66 33.171 33.171 34.016 -0.845 18277 12293 1 15 . 1 1 67 67 TRP H H 66 9.366 9.366 8.976 0.390 18277 12294 1 15 . 1 1 68 68 SER N N 67 117.273 117.273 117.034 0.239 18277 12295 1 15 . 1 1 68 68 SER HA H 67 5.297 5.297 4.954 0.343 18277 12296 1 15 . 1 1 68 68 SER C C 67 174.327 174.327 174.102 0.225 18277 12297 1 15 . 1 1 68 68 SER CA C 67 56.883 56.883 56.491 0.392 18277 12298 1 15 . 1 1 68 68 SER CB C 67 65.230 65.230 63.288 1.942 18277 12299 1 15 . 1 1 68 68 SER H H 67 9.750 9.750 9.363 0.387 18277 12300 1 15 . 1 1 69 69 LEU N N 68 126.002 126.002 130.249 -4.247 18277 12301 1 15 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.498 0.260 18277 12302 1 15 . 1 1 69 69 LEU C C 68 176.022 176.022 176.534 -0.512 18277 12303 1 15 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.861 -1.482 18277 12304 1 15 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.568 0.803 18277 12305 1 15 . 1 1 69 69 LEU H H 68 8.119 8.119 8.017 0.102 18277 12306 1 15 . 1 1 70 70 ASP N N 69 124.828 124.828 126.615 -1.787 18277 12307 1 15 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.930 -0.149 18277 12308 1 15 . 1 1 70 70 ASP C C 69 176.396 176.396 175.507 0.889 18277 12309 1 15 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.671 0.712 18277 12310 1 15 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.839 -0.847 18277 12311 1 15 . 1 1 70 70 ASP H H 69 8.572 8.572 8.068 0.504 18277 12312 1 15 . 1 1 71 71 THR N N 70 114.913 114.913 114.543 0.370 18277 12313 1 15 . 1 1 71 71 THR HA H 70 4.531 4.531 4.414 0.117 18277 12314 1 15 . 1 1 71 71 THR C C 70 174.451 174.451 174.946 -0.495 18277 12315 1 15 . 1 1 71 71 THR CA C 70 61.742 61.742 60.694 1.048 18277 12316 1 15 . 1 1 71 71 THR CB C 70 69.950 69.950 68.736 1.214 18277 12317 1 15 . 1 1 71 71 THR H H 70 8.403 8.403 8.399 0.004 18277 12318 1 15 . 1 1 72 72 GLU N N 71 123.605 123.605 121.468 2.137 18277 12319 1 15 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.062 0.179 18277 12320 1 15 . 1 1 72 72 GLU C C 71 176.451 176.451 177.247 -0.796 18277 12321 1 15 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.700 -1.493 18277 12322 1 15 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.500 0.910 18277 12323 1 15 . 1 1 72 72 GLU H H 71 8.542 8.542 8.490 0.052 18277 12324 1 15 . 1 1 73 73 GLU N N 72 119.641 119.641 116.528 3.113 18277 12325 1 15 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.428 -0.317 18277 12326 1 15 . 1 1 73 73 GLU C C 72 175.577 175.577 175.779 -0.202 18277 12327 1 15 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.070 1.027 18277 12328 1 15 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.599 -1.256 18277 12329 1 15 . 1 1 73 73 GLU H H 72 8.503 8.503 8.037 0.466 18277 12330 1 15 . 1 1 74 74 ASP N N 73 117.882 117.882 118.151 -0.269 18277 12331 1 15 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.400 0.171 18277 12332 1 15 . 1 1 74 74 ASP C C 73 176.077 176.077 175.341 0.736 18277 12333 1 15 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.376 -0.882 18277 12334 1 15 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.678 1.260 18277 12335 1 15 . 1 1 74 74 ASP H H 73 8.228 8.228 8.249 -0.021 18277 12336 1 15 . 1 1 75 75 ILE N N 74 120.809 120.809 113.592 7.217 18277 12337 1 15 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.322 -0.113 18277 12338 1 15 . 1 1 75 75 ILE C C 74 175.939 175.939 175.686 0.253 18277 12339 1 15 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.736 0.591 18277 12340 1 15 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.241 0.428 18277 12341 1 15 . 1 1 75 75 ILE H H 74 8.089 8.089 8.019 0.070 18277 12342 1 15 . 1 1 76 76 SER N N 75 119.402 119.402 114.840 4.562 18277 12343 1 15 . 1 1 76 76 SER HA H 75 4.652 4.652 4.183 0.469 18277 12344 1 15 . 1 1 76 76 SER C C 75 174.313 174.313 174.290 0.023 18277 12345 1 15 . 1 1 76 76 SER CA C 75 58.778 58.778 58.940 -0.162 18277 12346 1 15 . 1 1 76 76 SER CB C 75 63.860 63.860 62.803 1.057 18277 12347 1 15 . 1 1 76 76 SER H H 75 8.449 8.449 8.154 0.295 18277 12348 1 15 . 1 1 77 77 SER N N 76 118.644 118.644 114.955 3.689 18277 12349 1 15 . 1 1 77 77 SER HA H 76 4.588 4.588 4.447 0.141 18277 12350 1 15 . 1 1 77 77 SER C C 76 173.094 173.094 173.425 -0.331 18277 12351 1 15 . 1 1 77 77 SER CA C 76 57.772 57.772 59.022 -1.250 18277 12352 1 15 . 1 1 77 77 SER CB C 76 64.461 64.461 64.195 0.266 18277 12353 1 15 . 1 1 77 77 SER H H 76 8.280 8.280 7.828 0.452 18277 12354 1 15 . 1 1 78 78 LEU N N 77 123.896 123.896 114.490 9.406 18277 12355 1 15 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.096 -0.098 18277 12356 1 15 . 1 1 78 78 LEU C C 77 177.081 177.081 175.113 1.968 18277 12357 1 15 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.310 0.698 18277 12358 1 15 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.528 -1.507 18277 12359 1 15 . 1 1 78 78 LEU H H 77 7.981 7.981 8.237 -0.256 18277 12360 1 15 . 1 1 79 79 ARG N N 78 123.195 123.195 120.827 2.368 18277 12361 1 15 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.731 0.228 18277 12362 1 15 . 1 1 79 79 ARG C C 78 174.994 174.994 174.310 0.684 18277 12363 1 15 . 1 1 79 79 ARG CA C 78 54.664 54.664 54.898 -0.234 18277 12364 1 15 . 1 1 79 79 ARG CB C 78 33.280 33.280 34.024 -0.744 18277 12365 1 15 . 1 1 79 79 ARG H H 78 9.013 9.013 8.336 0.677 18277 12366 1 15 . 1 1 80 80 LEU N N 79 128.388 128.388 127.148 1.240 18277 12367 1 15 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.825 -0.047 18277 12368 1 15 . 1 1 80 80 LEU C C 79 177.216 177.216 175.344 1.872 18277 12369 1 15 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.796 0.253 18277 12370 1 15 . 1 1 80 80 LEU CB C 79 42.285 42.285 41.591 0.694 18277 12371 1 15 . 1 1 80 80 LEU H H 79 8.807 8.807 8.769 0.038 18277 12372 1 15 . 1 1 81 81 LEU N N 80 127.521 127.521 127.721 -0.200 18277 12373 1 15 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.648 -0.085 18277 12374 1 15 . 1 1 81 81 LEU C C 80 176.354 176.354 176.165 0.189 18277 12375 1 15 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.062 0.099 18277 12376 1 15 . 1 1 81 81 LEU CB C 80 43.410 43.410 44.239 -0.829 18277 12377 1 15 . 1 1 81 81 LEU H H 80 8.478 8.478 7.975 0.503 18277 12378 1 15 . 1 1 82 82 THR N N 81 121.108 121.108 116.402 4.706 18277 12379 1 15 . 1 1 82 82 THR HA H 81 4.391 4.391 4.644 -0.253 18277 12380 1 15 . 1 1 82 82 THR C C 81 173.678 173.678 173.404 0.274 18277 12381 1 15 . 1 1 82 82 THR CA C 81 61.112 61.112 61.842 -0.730 18277 12382 1 15 . 1 1 82 82 THR CB C 81 68.941 68.941 69.228 -0.287 18277 12383 1 15 . 1 1 82 82 THR H H 81 8.735 8.735 8.105 0.630 18277 12384 1 15 . 1 1 83 83 LEU N N 82 125.276 125.276 124.364 0.912 18277 12385 1 15 . 1 1 83 83 LEU HA H 82 4.771 4.771 5.091 -0.320 18277 12386 1 15 . 1 1 83 83 LEU C C 82 177.192 177.192 175.059 2.133 18277 12387 1 15 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.016 0.398 18277 12388 1 15 . 1 1 83 83 LEU CB C 82 44.525 44.525 45.393 -0.868 18277 12389 1 15 . 1 1 83 83 LEU H H 82 7.985 7.985 8.334 -0.349 18277 12390 1 15 . 1 1 84 84 SER N N 83 118.590 118.590 113.854 4.736 18277 12391 1 15 . 1 1 84 84 SER HA H 83 4.591 4.591 4.320 0.271 18277 12392 1 15 . 1 1 84 84 SER C C 83 174.317 174.317 175.379 -1.062 18277 12393 1 15 . 1 1 84 84 SER CA C 83 57.202 57.202 58.475 -1.273 18277 12394 1 15 . 1 1 84 84 SER CB C 83 65.345 65.345 64.380 0.965 18277 12395 1 15 . 1 1 84 84 SER H H 83 9.214 9.214 8.509 0.705 18277 12396 1 15 . 1 1 85 85 ASP N N 84 121.149 121.149 120.158 0.991 18277 12397 1 15 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.546 -0.203 18277 12398 1 15 . 1 1 85 85 ASP C C 84 178.027 178.027 178.635 -0.608 18277 12399 1 15 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.535 1.256 18277 12400 1 15 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.716 1.270 18277 12401 1 15 . 1 1 85 85 ASP H H 84 9.014 9.014 8.695 0.319 18277 12402 1 15 . 1 1 86 86 SER N N 85 111.874 111.874 114.739 -2.865 18277 12403 1 15 . 1 1 86 86 SER HA H 85 4.110 4.110 4.183 -0.073 18277 12404 1 15 . 1 1 86 86 SER C C 85 177.696 177.696 176.423 1.273 18277 12405 1 15 . 1 1 86 86 SER CA C 85 61.560 61.560 61.027 0.533 18277 12406 1 15 . 1 1 86 86 SER CB C 85 62.355 62.355 62.855 -0.500 18277 12407 1 15 . 1 1 86 86 SER H H 85 8.467 8.467 8.277 0.190 18277 12408 1 15 . 1 1 87 87 GLU N N 86 122.948 122.948 119.752 3.196 18277 12409 1 15 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.109 -0.032 18277 12410 1 15 . 1 1 87 87 GLU C C 86 180.335 180.335 177.797 2.538 18277 12411 1 15 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.728 0.308 18277 12412 1 15 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.766 1.053 18277 12413 1 15 . 1 1 87 87 GLU H H 86 7.660 7.660 7.833 -0.173 18277 12414 1 15 . 1 1 88 88 LEU N N 87 122.341 122.341 120.287 2.054 18277 12415 1 15 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.360 -0.477 18277 12416 1 15 . 1 1 88 88 LEU C C 87 178.818 178.818 178.414 0.404 18277 12417 1 15 . 1 1 88 88 LEU CA C 87 58.074 58.074 56.605 1.469 18277 12418 1 15 . 1 1 88 88 LEU CB C 87 42.371 42.371 42.476 -0.105 18277 12419 1 15 . 1 1 88 88 LEU H H 87 8.878 8.878 7.451 1.427 18277 12420 1 15 . 1 1 89 89 ARG N N 88 115.874 115.874 120.729 -4.855 18277 12421 1 15 . 1 1 89 89 ARG HA H 88 4.126 4.126 3.988 0.138 18277 12422 1 15 . 1 1 89 89 ARG C C 88 176.552 176.552 178.003 -1.451 18277 12423 1 15 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.079 0.641 18277 12424 1 15 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.111 0.674 18277 12425 1 15 . 1 1 89 89 ARG H H 88 7.956 7.956 8.504 -0.548 18277 12426 1 15 . 1 1 90 90 SER N N 89 112.295 112.295 112.625 -0.330 18277 12427 1 15 . 1 1 90 90 SER HA H 89 4.565 4.565 4.259 0.306 18277 12428 1 15 . 1 1 90 90 SER C C 89 174.817 174.817 175.691 -0.874 18277 12429 1 15 . 1 1 90 90 SER CA C 89 60.043 60.043 60.831 -0.788 18277 12430 1 15 . 1 1 90 90 SER CB C 89 63.858 63.858 63.303 0.555 18277 12431 1 15 . 1 1 90 90 SER H H 89 7.481 7.481 7.770 -0.289 18277 12432 1 15 . 1 1 91 91 ILE N N 90 116.577 116.577 114.068 2.509 18277 12433 1 15 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.269 0.169 18277 12434 1 15 . 1 1 91 91 ILE C C 90 174.636 174.636 175.529 -0.893 18277 12435 1 15 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.615 0.647 18277 12436 1 15 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.720 1.889 18277 12437 1 15 . 1 1 91 91 ILE H H 90 7.372 7.372 7.857 -0.485 18277 12438 1 15 . 1 1 92 92 LEU N N 91 119.723 119.723 120.165 -0.442 18277 12439 1 15 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.304 0.337 18277 12440 1 15 . 1 1 92 92 LEU C C 91 175.178 175.178 175.544 -0.366 18277 12441 1 15 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.246 -1.433 18277 12442 1 15 . 1 1 92 92 LEU CB C 91 43.673 43.673 43.161 0.512 18277 12443 1 15 . 1 1 92 92 LEU H H 91 7.900 7.900 7.702 0.198 18277 12444 1 15 . 1 1 93 93 ASN N N 92 119.687 119.687 116.877 2.810 18277 12445 1 15 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.868 0.115 18277 12446 1 15 . 1 1 93 93 ASN C C 92 174.978 174.978 174.673 0.305 18277 12447 1 15 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.443 -1.072 18277 12448 1 15 . 1 1 93 93 ASN CB C 92 37.731 37.731 40.170 -2.439 18277 12449 1 15 . 1 1 93 93 ASN H H 92 8.916 8.916 8.307 0.609 18277 12450 1 15 . 1 1 94 94 LEU N N 93 121.052 121.052 124.585 -3.533 18277 12451 1 15 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.378 -0.432 18277 12452 1 15 . 1 1 94 94 LEU C C 93 177.367 177.367 178.508 -1.141 18277 12453 1 15 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.859 0.192 18277 12454 1 15 . 1 1 94 94 LEU CB C 93 42.772 42.772 41.497 1.275 18277 12455 1 15 . 1 1 94 94 LEU H H 93 8.172 8.172 8.679 -0.507 18277 12456 1 15 . 1 1 95 95 GLY N N 94 105.340 105.340 108.186 -2.846 18277 12457 1 15 . 1 1 95 95 GLY C C 94 176.133 176.133 175.693 0.440 18277 12458 1 15 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.183 0.166 18277 12459 1 15 . 1 1 95 95 GLY H H 94 8.281 8.281 8.256 0.025 18277 12460 1 15 . 1 1 96 96 THR N N 95 117.040 117.040 118.330 -1.290 18277 12461 1 15 . 1 1 96 96 THR HA H 95 4.242 4.242 4.538 -0.296 18277 12462 1 15 . 1 1 96 96 THR C C 95 175.349 175.349 175.069 0.280 18277 12463 1 15 . 1 1 96 96 THR CA C 95 61.859 61.859 60.983 0.876 18277 12464 1 15 . 1 1 96 96 THR CB C 95 68.399 68.399 69.751 -1.352 18277 12465 1 15 . 1 1 96 96 THR H H 95 8.419 8.419 8.013 0.406 18277 12466 1 15 . 1 1 97 97 PHE N N 96 122.590 122.590 122.131 0.459 18277 12467 1 15 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.514 0.208 18277 12468 1 15 . 1 1 97 97 PHE C C 96 174.704 174.704 175.510 -0.806 18277 12469 1 15 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.356 -0.757 18277 12470 1 15 . 1 1 97 97 PHE CB C 96 39.149 39.149 40.211 -1.062 18277 12471 1 15 . 1 1 97 97 PHE H H 96 8.517 8.517 8.691 -0.174 18277 12472 1 15 . 1 1 98 98 SER N N 97 114.201 114.201 113.410 0.791 18277 12473 1 15 . 1 1 98 98 SER HA H 97 4.859 4.859 4.778 0.081 18277 12474 1 15 . 1 1 98 98 SER C C 97 173.002 173.002 172.358 0.644 18277 12475 1 15 . 1 1 98 98 SER CA C 97 57.346 57.346 58.075 -0.729 18277 12476 1 15 . 1 1 98 98 SER CB C 97 65.739 65.739 66.348 -0.609 18277 12477 1 15 . 1 1 98 98 SER H H 97 9.129 9.129 8.664 0.465 18277 12478 1 15 . 1 1 99 99 VAL N N 98 120.191 120.191 119.930 0.261 18277 12479 1 15 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.537 0.982 18277 12480 1 15 . 1 1 99 99 VAL C C 98 175.574 175.574 174.055 1.519 18277 12481 1 15 . 1 1 99 99 VAL CA C 98 59.390 59.390 59.854 -0.464 18277 12482 1 15 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.226 0.200 18277 12483 1 15 . 1 1 99 99 VAL H H 98 8.655 8.655 8.812 -0.157 18277 12484 1 15 . 1 1 100 100 THR N N 99 120.623 120.623 120.438 0.185 18277 12485 1 15 . 1 1 100 100 THR HA H 99 4.729 4.729 4.725 0.004 18277 12486 1 15 . 1 1 100 100 THR C C 99 172.605 172.605 172.347 0.258 18277 12487 1 15 . 1 1 100 100 THR CA C 99 61.114 61.114 61.623 -0.509 18277 12488 1 15 . 1 1 100 100 THR CB C 99 71.850 71.850 70.349 1.501 18277 12489 1 15 . 1 1 100 100 THR H H 99 8.997 8.997 8.434 0.563 18277 12490 1 15 . 1 1 101 101 LEU N N 100 127.613 127.613 129.038 -1.425 18277 12491 1 15 . 1 1 101 101 LEU HA H 100 4.949 4.949 4.842 0.107 18277 12492 1 15 . 1 1 101 101 LEU C C 100 176.666 176.666 175.698 0.968 18277 12493 1 15 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.624 1.065 18277 12494 1 15 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.322 -0.156 18277 12495 1 15 . 1 1 101 101 LEU H H 100 8.766 8.766 8.605 0.161 18277 12496 1 15 . 1 1 102 102 SER N N 101 119.771 119.771 121.935 -2.164 18277 12497 1 15 . 1 1 102 102 SER HA H 101 4.749 4.749 4.833 -0.084 18277 12498 1 15 . 1 1 102 102 SER C C 101 173.477 173.477 172.836 0.641 18277 12499 1 15 . 1 1 102 102 SER CA C 101 57.514 57.514 57.062 0.452 18277 12500 1 15 . 1 1 102 102 SER CB C 101 65.024 65.024 65.570 -0.546 18277 12501 1 15 . 1 1 102 102 SER H H 101 8.926 8.926 8.450 0.476 18277 12502 1 15 . 1 1 103 103 THR N N 102 117.853 117.853 121.731 -3.878 18277 12503 1 15 . 1 1 103 103 THR HA H 102 4.618 4.618 5.172 -0.554 18277 12504 1 15 . 1 1 103 103 THR C C 102 174.020 174.020 173.889 0.131 18277 12505 1 15 . 1 1 103 103 THR CA C 102 61.991 61.991 60.574 1.417 18277 12506 1 15 . 1 1 103 103 THR CB C 102 69.972 69.972 71.520 -1.548 18277 12507 1 15 . 1 1 103 103 THR H H 102 8.409 8.409 8.501 -0.092 18277 12508 1 15 . 1 1 104 104 ASP N N 103 125.295 125.295 124.254 1.041 18277 12509 1 15 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.845 -0.137 18277 12510 1 15 . 1 1 104 104 ASP C C 103 176.908 176.908 177.984 -1.076 18277 12511 1 15 . 1 1 104 104 ASP CA C 103 53.559 53.559 52.816 0.743 18277 12512 1 15 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.668 -0.423 18277 12513 1 15 . 1 1 104 104 ASP H H 103 8.598 8.598 8.581 0.017 18277 12514 1 15 . 1 1 105 105 MET N N 104 122.470 122.470 122.332 0.138 18277 12515 1 15 . 1 1 105 105 MET HA H 104 4.270 4.270 4.212 0.058 18277 12516 1 15 . 1 1 105 105 MET C C 104 177.354 177.354 176.042 1.312 18277 12517 1 15 . 1 1 105 105 MET CA C 104 57.300 57.300 57.836 -0.536 18277 12518 1 15 . 1 1 105 105 MET CB C 104 32.108 32.108 32.779 -0.671 18277 12519 1 15 . 1 1 105 105 MET H H 104 8.719 8.719 8.559 0.160 18277 12520 1 15 . 1 1 106 106 GLU N N 105 118.752 118.752 118.417 0.335 18277 12521 1 15 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.196 0.040 18277 12522 1 15 . 1 1 106 106 GLU C C 105 177.172 177.172 176.261 0.911 18277 12523 1 15 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.710 1.019 18277 12524 1 15 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.735 0.041 18277 12525 1 15 . 1 1 106 106 GLU H H 105 8.306 8.306 8.434 -0.128 18277 12526 1 15 . 1 1 107 107 MET N N 106 116.736 116.736 116.516 0.220 18277 12527 1 15 . 1 1 107 107 MET HA H 106 4.329 4.329 4.112 0.217 18277 12528 1 15 . 1 1 107 107 MET C C 106 176.319 176.319 175.790 0.529 18277 12529 1 15 . 1 1 107 107 MET CA C 106 55.514 55.514 56.541 -1.027 18277 12530 1 15 . 1 1 107 107 MET CB C 106 31.566 31.566 31.611 -0.045 18277 12531 1 15 . 1 1 107 107 MET H H 106 8.206 8.206 7.977 0.229 18277 12532 1 15 . 1 1 108 108 LYS N N 107 117.661 117.661 117.409 0.252 18277 12533 1 15 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.405 -0.319 18277 12534 1 15 . 1 1 108 108 LYS C C 107 176.049 176.049 175.980 0.069 18277 12535 1 15 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.933 0.167 18277 12536 1 15 . 1 1 108 108 LYS CB C 107 30.890 30.890 33.295 -2.405 18277 12537 1 15 . 1 1 108 108 LYS H H 107 8.382 8.382 8.023 0.359 18277 12538 1 15 . 1 1 109 109 SER N N 108 113.019 113.019 116.766 -3.747 18277 12539 1 15 . 1 1 109 109 SER HA H 108 4.566 4.566 4.535 0.031 18277 12540 1 15 . 1 1 109 109 SER C C 108 172.969 172.969 172.205 0.764 18277 12541 1 15 . 1 1 109 109 SER CA C 108 56.997 56.997 57.965 -0.967 18277 12542 1 15 . 1 1 109 109 SER CB C 108 65.035 65.035 64.341 0.694 18277 12543 1 15 . 1 1 109 109 SER H H 108 7.892 7.892 7.870 0.022 18277 12544 1 15 . 1 1 110 110 VAL N N 109 121.915 121.915 123.660 -1.745 18277 12545 1 15 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.955 -0.553 18277 12546 1 15 . 1 1 110 110 VAL C C 109 174.706 174.706 174.143 0.563 18277 12547 1 15 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.093 1.881 18277 12548 1 15 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.371 -2.291 18277 12549 1 15 . 1 1 110 110 VAL H H 109 7.878 7.878 7.886 -0.008 18277 12550 1 15 . 1 1 111 111 TYR N N 110 122.247 122.247 120.365 1.882 18277 12551 1 15 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.747 -0.411 18277 12552 1 15 . 1 1 111 111 TYR C C 110 173.915 173.915 173.577 0.338 18277 12553 1 15 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.514 1.749 18277 12554 1 15 . 1 1 111 111 TYR CB C 110 43.222 43.222 40.225 2.997 18277 12555 1 15 . 1 1 111 111 TYR H H 110 8.317 8.317 8.281 0.036 18277 12556 1 15 . 1 1 112 112 TYR N N 111 117.096 117.096 117.299 -0.203 18277 12557 1 15 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.750 0.119 18277 12558 1 15 . 1 1 112 112 TYR C C 111 175.418 175.418 174.223 1.195 18277 12559 1 15 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.889 0.294 18277 12560 1 15 . 1 1 112 112 TYR CB C 111 38.681 38.681 38.602 0.079 18277 12561 1 15 . 1 1 112 112 TYR H H 111 8.690 8.690 8.003 0.687 18277 12562 1 15 . 1 1 113 113 TYR N N 112 120.208 120.208 121.633 -1.425 18277 12563 1 15 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.846 0.093 18277 12564 1 15 . 1 1 113 113 TYR C C 112 176.674 176.674 176.793 -0.119 18277 12565 1 15 . 1 1 113 113 TYR CA C 112 57.567 57.567 57.524 0.043 18277 12566 1 15 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.068 2.856 18277 12567 1 15 . 1 1 113 113 TYR H H 112 9.374 9.374 8.748 0.626 18277 12568 1 15 . 1 1 114 114 ILE N N 113 121.490 121.490 125.219 -3.729 18277 12569 1 15 . 1 1 114 114 ILE HA H 113 4.821 4.821 3.895 0.926 18277 12570 1 15 . 1 1 114 114 ILE C C 113 176.329 176.329 176.106 0.223 18277 12571 1 15 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.563 -2.524 18277 12572 1 15 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.597 -1.632 18277 12573 1 15 . 1 1 114 114 ILE H H 113 8.076 8.076 8.012 0.064 18277 12574 1 15 . 1 1 115 115 ASN N N 114 129.212 129.212 124.538 4.674 18277 12575 1 15 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.677 0.024 18277 12576 1 15 . 1 1 115 115 ASN C C 114 175.914 175.914 174.581 1.333 18277 12577 1 15 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.148 0.874 18277 12578 1 15 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.493 0.056 18277 12579 1 15 . 1 1 115 115 ASN H H 114 8.959 8.959 8.686 0.273 18277 12580 1 15 . 1 1 116 116 ASN N N 115 121.613 121.613 122.420 -0.807 18277 12581 1 15 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.007 -0.138 18277 12582 1 15 . 1 1 116 116 ASN C C 115 178.040 178.040 175.148 2.892 18277 12583 1 15 . 1 1 116 116 ASN CA C 115 52.780 52.780 53.054 -0.274 18277 12584 1 15 . 1 1 116 116 ASN CB C 115 39.096 39.096 38.750 0.346 18277 12585 1 15 . 1 1 116 116 ASN H H 115 8.464 8.464 8.422 0.042 18277 12586 1 15 . 1 1 117 117 CYS N N 116 120.777 120.777 117.385 3.392 18277 12587 1 15 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.789 -0.045 18277 12588 1 15 . 1 1 117 117 CYS C C 116 174.635 174.635 174.528 0.107 18277 12589 1 15 . 1 1 117 117 CYS CA C 116 60.087 60.087 60.357 -0.270 18277 12590 1 15 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.489 -0.033 18277 12591 1 15 . 1 1 117 117 CYS H H 116 8.256 8.256 7.907 0.349 18277 12592 1 15 . 1 1 118 118 ASP N N 117 119.926 119.926 121.948 -2.022 18277 12593 1 15 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.546 0.353 18277 12594 1 15 . 1 1 118 118 ASP C C 117 176.225 176.225 175.926 0.299 18277 12595 1 15 . 1 1 118 118 ASP CA C 117 53.410 53.410 54.130 -0.720 18277 12596 1 15 . 1 1 118 118 ASP CB C 117 40.174 40.174 38.066 2.108 18277 12597 1 15 . 1 1 118 118 ASP H H 117 8.420 8.420 8.295 0.125 18277 12598 1 15 . 1 1 119 119 THR N N 118 116.185 116.185 115.505 0.680 18277 12599 1 15 . 1 1 119 119 THR HA H 118 4.315 4.315 4.243 0.072 18277 12600 1 15 . 1 1 119 119 THR C C 118 175.349 175.349 174.906 0.443 18277 12601 1 15 . 1 1 119 119 THR CA C 118 66.029 66.029 64.951 1.078 18277 12602 1 15 . 1 1 119 119 THR CB C 118 69.654 69.654 69.267 0.387 18277 12603 1 15 . 1 1 119 119 THR H H 118 7.712 7.712 7.417 0.295 18277 12604 1 15 . 1 1 120 120 ASP N N 119 120.938 120.938 120.811 0.127 18277 12605 1 15 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.553 -0.020 18277 12606 1 15 . 1 1 120 120 ASP C C 119 177.991 177.991 176.894 1.097 18277 12607 1 15 . 1 1 120 120 ASP CA C 119 56.906 56.906 56.964 -0.058 18277 12608 1 15 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.495 0.442 18277 12609 1 15 . 1 1 120 120 ASP H H 119 8.730 8.730 8.493 0.237 18277 12610 1 15 . 1 1 121 121 ALA N N 120 122.818 122.818 119.364 3.454 18277 12611 1 15 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.259 -0.081 18277 12612 1 15 . 1 1 121 121 ALA C C 120 178.787 178.787 178.895 -0.108 18277 12613 1 15 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.404 0.487 18277 12614 1 15 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.767 -0.296 18277 12615 1 15 . 1 1 121 121 ALA H H 120 8.033 8.033 7.710 0.323 18277 12616 1 15 . 1 1 122 122 ASN N N 121 116.085 116.085 117.029 -0.944 18277 12617 1 15 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.558 0.076 18277 12618 1 15 . 1 1 122 122 ASN C C 121 176.235 176.235 177.004 -0.769 18277 12619 1 15 . 1 1 122 122 ASN CA C 121 54.496 54.496 56.109 -1.613 18277 12620 1 15 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.169 -0.280 18277 12621 1 15 . 1 1 122 122 ASN H H 121 8.128 8.128 7.994 0.134 18277 12622 1 15 . 1 1 123 123 VAL N N 122 117.803 117.803 116.106 1.697 18277 12623 1 15 . 1 1 123 123 VAL HA H 122 3.962 3.962 4.064 -0.102 18277 12624 1 15 . 1 1 123 123 VAL C C 122 176.973 176.973 176.787 0.186 18277 12625 1 15 . 1 1 123 123 VAL CA C 122 63.916 63.916 63.183 0.733 18277 12626 1 15 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.347 0.548 18277 12627 1 15 . 1 1 123 123 VAL H H 122 8.262 8.262 7.565 0.697 18277 12628 1 15 . 1 1 124 124 GLY N N 123 110.472 110.472 109.031 1.441 18277 12629 1 15 . 1 1 124 124 GLY C C 123 174.107 174.107 175.126 -1.019 18277 12630 1 15 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.922 -1.521 18277 12631 1 15 . 1 1 124 124 GLY H H 123 8.172 8.172 8.767 -0.595 18277 12632 1 15 . 1 1 125 125 SER N N 124 113.065 113.065 113.691 -0.626 18277 12633 1 15 . 1 1 125 125 SER HA H 124 4.529 4.529 4.487 0.042 18277 12634 1 15 . 1 1 125 125 SER C C 124 174.664 174.664 174.124 0.540 18277 12635 1 15 . 1 1 125 125 SER CA C 124 58.981 58.981 59.244 -0.263 18277 12636 1 15 . 1 1 125 125 SER CB C 124 64.492 64.492 64.707 -0.215 18277 12637 1 15 . 1 1 125 125 SER H H 124 8.139 8.139 8.210 -0.071 18277 12638 1 15 . 1 1 126 126 ASP N N 125 121.312 121.312 119.162 2.150 18277 12639 1 15 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.962 -0.255 18277 12640 1 15 . 1 1 126 126 ASP C C 125 177.029 177.029 175.415 1.614 18277 12641 1 15 . 1 1 126 126 ASP CA C 125 54.232 54.232 53.306 0.926 18277 12642 1 15 . 1 1 126 126 ASP CB C 125 40.878 40.878 43.575 -2.697 18277 12643 1 15 . 1 1 126 126 ASP H H 125 8.146 8.146 8.043 0.103 18277 12644 1 15 . 1 1 127 127 VAL N N 126 123.444 123.444 123.490 -0.046 18277 12645 1 15 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.736 0.090 18277 12646 1 15 . 1 1 127 127 VAL C C 126 177.304 177.304 177.342 -0.038 18277 12647 1 15 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.585 1.314 18277 12648 1 15 . 1 1 127 127 VAL CB C 126 32.222 32.222 32.138 0.084 18277 12649 1 15 . 1 1 127 127 VAL H H 126 8.474 8.474 8.448 0.026 18277 12650 1 15 . 1 1 128 128 GLU N N 127 120.874 120.874 119.722 1.152 18277 12651 1 15 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.199 -0.266 18277 12652 1 15 . 1 1 128 128 GLU CA C 127 58.660 58.660 59.030 -0.370 18277 12653 1 15 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.890 -0.810 18277 12654 1 15 . 1 1 128 128 GLU H H 127 8.504 8.504 8.488 0.016 18277 12655 1 15 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.893 -0.144 18277 12656 1 15 . 1 1 129 129 HIS C C 128 174.898 174.898 174.817 0.081 18277 12657 1 15 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.868 1.580 18277 12658 1 15 . 1 1 129 129 HIS CB C 128 29.045 29.045 29.129 -0.084 18277 12659 1 15 . 1 1 130 130 TYR N N 129 122.615 122.615 122.072 0.543 18277 12660 1 15 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.454 -0.454 18277 12661 1 15 . 1 1 130 130 TYR C C 129 178.544 178.544 177.063 1.481 18277 12662 1 15 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.745 0.363 18277 12663 1 15 . 1 1 130 130 TYR CB C 129 39.542 39.542 39.227 0.315 18277 12664 1 15 . 1 1 130 130 TYR H H 129 8.118 8.118 7.805 0.313 18277 12665 1 15 . 1 1 131 131 LEU N N 130 116.037 116.037 117.878 -1.841 18277 12666 1 15 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.312 0.037 18277 12667 1 15 . 1 1 131 131 LEU C C 130 179.368 179.368 179.279 0.089 18277 12668 1 15 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.863 0.953 18277 12669 1 15 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.927 0.442 18277 12670 1 15 . 1 1 131 131 LEU H H 130 9.092 9.092 8.527 0.566 18277 12671 1 15 . 1 1 132 132 THR N N 131 113.629 113.629 108.290 5.339 18277 12672 1 15 . 1 1 132 132 THR HA H 131 4.007 4.007 4.246 -0.239 18277 12673 1 15 . 1 1 132 132 THR C C 131 177.255 177.255 176.326 0.929 18277 12674 1 15 . 1 1 132 132 THR CA C 131 66.505 66.505 64.971 1.534 18277 12675 1 15 . 1 1 132 132 THR CB C 131 68.052 68.052 68.859 -0.807 18277 12676 1 15 . 1 1 132 132 THR H H 131 8.129 8.129 8.033 0.096 18277 12677 1 15 . 1 1 133 133 ARG N N 132 124.720 124.720 122.165 2.555 18277 12678 1 15 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.288 -0.172 18277 12679 1 15 . 1 1 133 133 ARG C C 132 178.921 178.921 177.111 1.810 18277 12680 1 15 . 1 1 133 133 ARG CA C 132 60.037 60.037 57.183 2.854 18277 12681 1 15 . 1 1 133 133 ARG CB C 132 30.274 30.274 29.782 0.492 18277 12682 1 15 . 1 1 133 133 ARG H H 132 8.187 8.187 7.863 0.324 18277 12683 1 15 . 1 1 134 134 TRP N N 133 120.307 120.307 119.795 0.512 18277 12684 1 15 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.467 -0.240 18277 12685 1 15 . 1 1 134 134 TRP C C 133 177.823 177.823 177.307 0.516 18277 12686 1 15 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.780 2.690 18277 12687 1 15 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.396 -1.641 18277 12688 1 15 . 1 1 134 134 TRP H H 133 9.167 9.167 8.276 0.891 18277 12689 1 15 . 1 1 135 135 ILE N N 134 117.595 117.595 120.553 -2.958 18277 12690 1 15 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.590 -0.007 18277 12691 1 15 . 1 1 135 135 ILE C C 134 176.333 176.333 177.344 -1.011 18277 12692 1 15 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.741 -3.033 18277 12693 1 15 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.007 -0.874 18277 12694 1 15 . 1 1 135 135 ILE H H 134 9.000 9.000 7.850 1.150 18277 12695 1 15 . 1 1 136 136 SER N N 135 116.548 116.548 113.581 2.967 18277 12696 1 15 . 1 1 136 136 SER HA H 135 3.931 3.931 4.155 -0.224 18277 12697 1 15 . 1 1 136 136 SER C C 135 174.339 174.339 175.591 -1.252 18277 12698 1 15 . 1 1 136 136 SER CA C 135 62.535 62.535 60.224 2.311 18277 12699 1 15 . 1 1 136 136 SER CB C 135 62.820 62.820 62.602 0.218 18277 12700 1 15 . 1 1 136 136 SER H H 135 7.592 7.592 7.744 -0.152 18277 12701 1 15 . 1 1 137 137 LEU N N 136 119.693 119.693 121.472 -1.779 18277 12702 1 15 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.225 -0.028 18277 12703 1 15 . 1 1 137 137 LEU C C 136 178.376 178.376 177.076 1.300 18277 12704 1 15 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.448 0.668 18277 12705 1 15 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.710 0.278 18277 12706 1 15 . 1 1 137 137 LEU H H 136 7.247 7.247 7.712 -0.465 18277 12707 1 15 . 1 1 138 138 TYR N N 137 116.295 116.295 116.525 -0.230 18277 12708 1 15 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.200 -0.556 18277 12709 1 15 . 1 1 138 138 TYR C C 137 178.142 178.142 177.014 1.128 18277 12710 1 15 . 1 1 138 138 TYR CA C 137 61.396 61.396 58.074 3.322 18277 12711 1 15 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.445 -0.538 18277 12712 1 15 . 1 1 138 138 TYR H H 137 8.057 8.057 7.842 0.215 18277 12713 1 15 . 1 1 139 139 ILE N N 138 117.755 117.755 121.759 -4.004 18277 12714 1 15 . 1 1 139 139 ILE HA H 138 3.818 3.818 2.680 1.138 18277 12715 1 15 . 1 1 139 139 ILE C C 138 176.943 176.943 176.879 0.064 18277 12716 1 15 . 1 1 139 139 ILE CA C 138 61.684 61.684 62.270 -0.586 18277 12717 1 15 . 1 1 139 139 ILE CB C 138 36.768 36.768 36.781 -0.013 18277 12718 1 15 . 1 1 139 139 ILE H H 138 8.371 8.371 7.872 0.499 18277 12719 1 15 . 1 1 140 140 ARG N N 139 118.103 118.103 118.552 -0.449 18277 12720 1 15 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.321 -0.246 18277 12721 1 15 . 1 1 140 140 ARG C C 139 176.776 176.776 177.323 -0.547 18277 12722 1 15 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.395 -0.866 18277 12723 1 15 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.639 0.202 18277 12724 1 15 . 1 1 140 140 ARG H H 139 6.762 6.762 8.069 -1.307 18277 12725 1 15 . 1 1 141 141 ILE N N 140 117.603 117.603 117.856 -0.253 18277 12726 1 15 . 1 1 141 141 ILE HA H 140 3.771 3.771 4.101 -0.330 18277 12727 1 15 . 1 1 141 141 ILE C C 140 176.448 176.448 176.336 0.112 18277 12728 1 15 . 1 1 141 141 ILE CA C 140 63.370 63.370 62.803 0.567 18277 12729 1 15 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.742 1.077 18277 12730 1 15 . 1 1 141 141 ILE H H 140 7.056 7.056 8.361 -1.305 18277 12731 1 15 . 1 1 142 142 PHE N N 141 114.969 114.969 117.257 -2.288 18277 12732 1 15 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.608 -0.214 18277 12733 1 15 . 1 1 142 142 PHE C C 141 175.503 175.503 175.448 0.055 18277 12734 1 15 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.099 0.027 18277 12735 1 15 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.209 -0.770 18277 12736 1 15 . 1 1 142 142 PHE H H 141 7.287 7.287 8.242 -0.955 18277 12737 1 15 . 1 1 143 143 ASP N N 142 116.492 116.492 120.558 -4.066 18277 12738 1 15 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.965 -0.220 18277 12739 1 15 . 1 1 143 143 ASP C C 142 175.131 175.131 175.205 -0.074 18277 12740 1 15 . 1 1 143 143 ASP CA C 142 54.013 54.013 52.952 1.061 18277 12741 1 15 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.502 0.494 18277 12742 1 15 . 1 1 143 143 ASP H H 142 7.697 7.697 8.551 -0.854 18277 12743 1 15 . 1 1 144 144 LEU N N 143 126.435 126.435 126.218 0.217 18277 12744 1 15 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.442 -0.256 18277 12745 1 15 . 1 1 144 144 LEU C C 143 177.297 177.297 177.028 0.269 18277 12746 1 15 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.741 1.199 18277 12747 1 15 . 1 1 144 144 LEU CB C 143 42.609 42.609 42.308 0.301 18277 12748 1 15 . 1 1 144 144 LEU H H 143 8.790 8.790 8.698 0.092 18277 12749 1 15 . 1 1 145 145 ASN N N 144 114.711 114.711 117.303 -2.592 18277 12750 1 15 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.796 0.027 18277 12751 1 15 . 1 1 145 145 ASN C C 144 174.879 174.879 174.392 0.487 18277 12752 1 15 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.530 -0.379 18277 12753 1 15 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.392 -0.697 18277 12754 1 15 . 1 1 145 145 ASN H H 144 8.569 8.569 7.882 0.687 18277 12755 1 15 . 1 1 146 146 PHE N N 145 121.472 121.472 123.105 -1.633 18277 12756 1 15 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.322 0.187 18277 12757 1 15 . 1 1 146 146 PHE C C 145 173.397 173.397 174.671 -1.274 18277 12758 1 15 . 1 1 146 146 PHE CA C 145 57.895 57.895 58.386 -0.491 18277 12759 1 15 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.695 0.292 18277 12760 1 15 . 1 1 146 146 PHE H H 145 7.214 7.214 7.620 -0.406 18277 12761 1 15 . 1 1 147 147 VAL N N 146 128.813 128.813 126.228 2.585 18277 12762 1 15 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.277 -0.205 18277 12763 1 15 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.322 1.376 18277 12764 1 15 . 1 1 147 147 VAL CB C 146 33.469 33.469 30.598 2.871 18277 12765 1 15 . 1 1 147 147 VAL H H 146 7.666 7.666 7.744 -0.078 18277 12766 1 16 . 1 1 2 2 MET N N 1 121.461 121.461 120.730 0.731 18277 12767 1 16 . 1 1 2 2 MET HA H 1 4.581 4.581 4.514 0.067 18277 12768 1 16 . 1 1 2 2 MET C C 1 175.184 175.184 174.720 0.464 18277 12769 1 16 . 1 1 2 2 MET CA C 1 55.447 55.447 54.696 0.751 18277 12770 1 16 . 1 1 2 2 MET CB C 1 34.107 34.107 33.333 0.774 18277 12771 1 16 . 1 1 2 2 MET H H 1 8.431 8.431 8.286 0.145 18277 12772 1 16 . 1 1 3 3 LEU N N 2 123.575 123.575 125.229 -1.654 18277 12773 1 16 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.482 -0.012 18277 12774 1 16 . 1 1 3 3 LEU C C 2 176.479 176.479 176.661 -0.182 18277 12775 1 16 . 1 1 3 3 LEU CA C 2 54.544 54.544 54.904 -0.360 18277 12776 1 16 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.302 1.898 18277 12777 1 16 . 1 1 3 3 LEU H H 2 8.678 8.678 7.730 0.948 18277 12778 1 16 . 1 1 4 4 THR N N 3 119.326 119.326 117.669 1.657 18277 12779 1 16 . 1 1 4 4 THR HA H 3 4.398 4.398 4.727 -0.329 18277 12780 1 16 . 1 1 4 4 THR C C 3 173.920 173.920 175.596 -1.676 18277 12781 1 16 . 1 1 4 4 THR CA C 3 61.025 61.025 60.835 0.190 18277 12782 1 16 . 1 1 4 4 THR CB C 3 71.090 71.090 70.198 0.892 18277 12783 1 16 . 1 1 4 4 THR H H 3 8.541 8.541 9.052 -0.511 18277 12784 1 16 . 1 1 5 5 LEU N N 4 122.107 122.107 120.078 2.029 18277 12785 1 16 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.771 -0.483 18277 12786 1 16 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.224 0.868 18277 12787 1 16 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.828 -0.022 18277 12788 1 16 . 1 1 5 5 LEU H H 4 8.777 8.777 8.585 0.192 18277 12789 1 16 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.374 -0.028 18277 12790 1 16 . 1 1 6 6 PRO C C 5 179.812 179.812 178.093 1.719 18277 12791 1 16 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.981 1.278 18277 12792 1 16 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.118 -0.059 18277 12793 1 16 . 1 1 7 7 GLU N N 6 117.744 117.744 117.320 0.424 18277 12794 1 16 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.221 -0.195 18277 12795 1 16 . 1 1 7 7 GLU C C 6 178.359 178.359 177.130 1.229 18277 12796 1 16 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.282 0.821 18277 12797 1 16 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.184 0.086 18277 12798 1 16 . 1 1 7 7 GLU H H 6 7.088 7.088 7.719 -0.631 18277 12799 1 16 . 1 1 8 8 TYR N N 7 120.825 120.825 117.356 3.469 18277 12800 1 16 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.471 -0.576 18277 12801 1 16 . 1 1 8 8 TYR C C 7 176.641 176.641 176.855 -0.214 18277 12802 1 16 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.353 2.166 18277 12803 1 16 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.288 -1.561 18277 12804 1 16 . 1 1 8 8 TYR H H 7 8.310 8.310 7.654 0.656 18277 12805 1 16 . 1 1 9 9 ASN N N 8 118.086 118.086 118.653 -0.567 18277 12806 1 16 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.066 0.252 18277 12807 1 16 . 1 1 9 9 ASN C C 8 179.060 179.060 177.506 1.554 18277 12808 1 16 . 1 1 9 9 ASN CA C 8 55.774 55.774 56.030 -0.256 18277 12809 1 16 . 1 1 9 9 ASN CB C 8 38.309 38.309 38.121 0.188 18277 12810 1 16 . 1 1 9 9 ASN H H 8 8.791 8.791 8.295 0.496 18277 12811 1 16 . 1 1 10 10 GLU N N 9 120.057 120.057 120.108 -0.051 18277 12812 1 16 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.128 -0.015 18277 12813 1 16 . 1 1 10 10 GLU C C 9 177.853 177.853 177.075 0.778 18277 12814 1 16 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.493 0.013 18277 12815 1 16 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.476 0.165 18277 12816 1 16 . 1 1 10 10 GLU H H 9 8.013 8.013 8.261 -0.247 18277 12817 1 16 . 1 1 11 11 GLN N N 10 116.468 116.468 116.251 0.217 18277 12818 1 16 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.563 -0.113 18277 12819 1 16 . 1 1 11 11 GLN C C 10 177.470 177.470 176.256 1.214 18277 12820 1 16 . 1 1 11 11 GLN CA C 10 56.997 56.997 54.906 2.091 18277 12821 1 16 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.813 0.912 18277 12822 1 16 . 1 1 11 11 GLN H H 10 7.488 7.488 7.358 0.130 18277 12823 1 16 . 1 1 12 12 ILE N N 11 124.393 124.393 122.405 1.988 18277 12824 1 16 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.749 0.079 18277 12825 1 16 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.912 -2.406 18277 12826 1 16 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.567 -1.309 18277 12827 1 16 . 1 1 12 12 ILE H H 11 7.605 7.605 7.239 0.366 18277 12828 1 16 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.493 -0.256 18277 12829 1 16 . 1 1 13 13 PRO C C 12 179.113 179.113 176.603 2.510 18277 12830 1 16 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.548 1.879 18277 12831 1 16 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.802 0.275 18277 12832 1 16 . 1 1 14 14 ASN N N 13 115.499 115.499 116.781 -1.282 18277 12833 1 16 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.735 -0.143 18277 12834 1 16 . 1 1 14 14 ASN C C 13 178.208 178.208 177.238 0.970 18277 12835 1 16 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.872 0.919 18277 12836 1 16 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.659 -0.615 18277 12837 1 16 . 1 1 14 14 ASN H H 13 7.793 7.793 7.983 -0.190 18277 12838 1 16 . 1 1 15 15 VAL N N 14 121.205 121.205 121.266 -0.061 18277 12839 1 16 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.842 -0.142 18277 12840 1 16 . 1 1 15 15 VAL C C 14 176.999 176.999 177.250 -0.251 18277 12841 1 16 . 1 1 15 15 VAL CA C 14 66.544 66.544 65.896 0.648 18277 12842 1 16 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.726 -0.301 18277 12843 1 16 . 1 1 15 15 VAL H H 14 7.704 7.704 7.729 -0.025 18277 12844 1 16 . 1 1 16 16 ARG N N 15 121.067 121.067 119.634 1.433 18277 12845 1 16 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.096 -0.382 18277 12846 1 16 . 1 1 16 16 ARG C C 15 178.150 178.150 177.469 0.681 18277 12847 1 16 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.259 1.261 18277 12848 1 16 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.523 0.692 18277 12849 1 16 . 1 1 16 16 ARG H H 15 8.855 8.855 7.850 1.005 18277 12850 1 16 . 1 1 17 17 SER N N 16 112.741 112.741 115.248 -2.507 18277 12851 1 16 . 1 1 17 17 SER HA H 16 4.245 4.245 4.391 -0.146 18277 12852 1 16 . 1 1 17 17 SER C C 16 177.177 177.177 176.865 0.312 18277 12853 1 16 . 1 1 17 17 SER CA C 16 61.756 61.756 60.595 1.161 18277 12854 1 16 . 1 1 17 17 SER CB C 16 62.785 62.785 63.313 -0.528 18277 12855 1 16 . 1 1 17 17 SER H H 16 7.987 7.987 7.813 0.174 18277 12856 1 16 . 1 1 18 18 LEU N N 17 122.703 122.703 121.327 1.376 18277 12857 1 16 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.365 -0.108 18277 12858 1 16 . 1 1 18 18 LEU C C 17 179.350 179.350 178.965 0.385 18277 12859 1 16 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.495 0.989 18277 12860 1 16 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.085 1.390 18277 12861 1 16 . 1 1 18 18 LEU H H 17 7.728 7.728 7.761 -0.033 18277 12862 1 16 . 1 1 19 19 LEU N N 18 116.536 116.536 121.097 -4.561 18277 12863 1 16 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.379 -0.148 18277 12864 1 16 . 1 1 19 19 LEU C C 18 178.556 178.556 179.067 -0.511 18277 12865 1 16 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.785 -0.510 18277 12866 1 16 . 1 1 19 19 LEU CB C 18 41.716 41.716 40.521 1.195 18277 12867 1 16 . 1 1 19 19 LEU H H 18 8.367 8.367 8.504 -0.137 18277 12868 1 16 . 1 1 20 20 THR N N 19 111.172 111.172 110.512 0.660 18277 12869 1 16 . 1 1 20 20 THR HA H 19 4.072 4.072 4.149 -0.077 18277 12870 1 16 . 1 1 20 20 THR C C 19 175.433 175.433 175.566 -0.133 18277 12871 1 16 . 1 1 20 20 THR CA C 19 65.421 65.421 64.439 0.982 18277 12872 1 16 . 1 1 20 20 THR CB C 19 69.541 69.541 68.243 1.298 18277 12873 1 16 . 1 1 20 20 THR H H 19 7.926 7.926 7.956 -0.030 18277 12874 1 16 . 1 1 21 21 LYS N N 20 117.696 117.696 119.045 -1.349 18277 12875 1 16 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.135 0.216 18277 12876 1 16 . 1 1 21 21 LYS C C 20 176.229 176.229 176.348 -0.119 18277 12877 1 16 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.786 -0.272 18277 12878 1 16 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.357 -0.008 18277 12879 1 16 . 1 1 21 21 LYS H H 20 7.350 7.350 7.959 -0.609 18277 12880 1 16 . 1 1 22 22 TRP N N 21 123.258 123.258 121.478 1.780 18277 12881 1 16 . 1 1 22 22 TRP HA H 21 4.768 4.768 4.126 0.642 18277 12882 1 16 . 1 1 22 22 TRP C C 21 177.333 177.333 176.302 1.031 18277 12883 1 16 . 1 1 22 22 TRP CA C 21 54.466 54.466 56.196 -1.730 18277 12884 1 16 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.815 0.067 18277 12885 1 16 . 1 1 22 22 TRP H H 21 7.710 7.710 7.742 -0.032 18277 12886 1 16 . 1 1 23 23 ALA N N 22 133.336 133.336 130.900 2.436 18277 12887 1 16 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.267 -0.121 18277 12888 1 16 . 1 1 23 23 ALA C C 22 177.467 177.467 177.220 0.247 18277 12889 1 16 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.429 1.426 18277 12890 1 16 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.076 -0.112 18277 12891 1 16 . 1 1 23 23 ALA H H 22 9.658 9.658 8.521 1.137 18277 12892 1 16 . 1 1 24 24 LYS N N 23 111.352 111.352 116.902 -5.550 18277 12893 1 16 . 1 1 24 24 LYS HA H 23 4.000 4.000 3.962 0.038 18277 12894 1 16 . 1 1 24 24 LYS C C 23 175.467 175.467 175.835 -0.368 18277 12895 1 16 . 1 1 24 24 LYS CA C 23 56.522 56.522 56.678 -0.156 18277 12896 1 16 . 1 1 24 24 LYS CB C 23 33.306 33.306 31.949 1.357 18277 12897 1 16 . 1 1 24 24 LYS H H 23 5.756 5.756 7.836 -2.080 18277 12898 1 16 . 1 1 25 25 VAL N N 24 119.937 119.937 119.584 0.353 18277 12899 1 16 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.913 -0.535 18277 12900 1 16 . 1 1 25 25 VAL C C 24 175.634 175.634 176.018 -0.384 18277 12901 1 16 . 1 1 25 25 VAL CA C 24 64.463 64.463 62.895 1.568 18277 12902 1 16 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.622 0.399 18277 12903 1 16 . 1 1 25 25 VAL H H 24 7.179 7.179 6.890 0.289 18277 12904 1 16 . 1 1 26 26 GLU N N 25 127.218 127.218 126.695 0.523 18277 12905 1 16 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.326 0.082 18277 12906 1 16 . 1 1 26 26 GLU C C 25 176.448 176.448 176.409 0.039 18277 12907 1 16 . 1 1 26 26 GLU CA C 25 56.976 56.976 57.088 -0.112 18277 12908 1 16 . 1 1 26 26 GLU CB C 25 31.406 31.406 30.575 0.831 18277 12909 1 16 . 1 1 26 26 GLU H H 25 9.017 9.017 8.798 0.219 18277 12910 1 16 . 1 1 27 27 ARG N N 26 117.397 117.397 119.946 -2.549 18277 12911 1 16 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.517 0.010 18277 12912 1 16 . 1 1 27 27 ARG C C 26 173.508 173.508 173.842 -0.334 18277 12913 1 16 . 1 1 27 27 ARG CA C 26 56.216 56.216 55.126 1.090 18277 12914 1 16 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.364 1.599 18277 12915 1 16 . 1 1 27 27 ARG H H 26 7.521 7.521 7.418 0.103 18277 12916 1 16 . 1 1 28 28 ILE N N 27 123.297 123.297 125.288 -1.991 18277 12917 1 16 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.332 0.349 18277 12918 1 16 . 1 1 28 28 ILE C C 27 173.872 173.872 174.906 -1.034 18277 12919 1 16 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.314 0.776 18277 12920 1 16 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.351 2.334 18277 12921 1 16 . 1 1 28 28 ILE H H 27 8.662 8.662 8.531 0.131 18277 12922 1 16 . 1 1 29 29 GLN N N 28 125.810 125.810 126.723 -0.913 18277 12923 1 16 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.639 0.113 18277 12924 1 16 . 1 1 29 29 GLN C C 28 174.329 174.329 174.112 0.217 18277 12925 1 16 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.181 -0.112 18277 12926 1 16 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.283 -0.341 18277 12927 1 16 . 1 1 29 29 GLN H H 28 9.282 9.282 8.630 0.652 18277 12928 1 16 . 1 1 30 30 ASP N N 29 125.001 125.001 122.513 2.488 18277 12929 1 16 . 1 1 30 30 ASP HA H 29 4.886 4.886 5.128 -0.242 18277 12930 1 16 . 1 1 30 30 ASP C C 29 175.522 175.522 174.824 0.698 18277 12931 1 16 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.532 2.924 18277 12932 1 16 . 1 1 30 30 ASP CB C 29 41.323 41.323 42.612 -1.289 18277 12933 1 16 . 1 1 30 30 ASP H H 29 8.666 8.666 8.379 0.287 18277 12934 1 16 . 1 1 31 31 VAL N N 30 116.978 116.978 116.820 0.158 18277 12935 1 16 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.552 0.092 18277 12936 1 16 . 1 1 31 31 VAL C C 30 175.448 175.448 176.205 -0.757 18277 12937 1 16 . 1 1 31 31 VAL CA C 30 59.178 59.178 58.765 0.413 18277 12938 1 16 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.149 0.975 18277 12939 1 16 . 1 1 31 31 VAL H H 30 7.784 7.784 7.871 -0.087 18277 12940 1 16 . 1 1 32 32 GLN N N 31 121.763 121.763 120.557 1.206 18277 12941 1 16 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.377 -0.344 18277 12942 1 16 . 1 1 32 32 GLN C C 31 176.620 176.620 174.998 1.622 18277 12943 1 16 . 1 1 32 32 GLN CA C 31 58.183 58.183 56.996 1.187 18277 12944 1 16 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.065 -0.023 18277 12945 1 16 . 1 1 32 32 GLN H H 31 8.515 8.515 8.580 -0.065 18277 12946 1 16 . 1 1 33 33 ASP N N 32 121.199 121.199 115.686 5.513 18277 12947 1 16 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.731 0.244 18277 12948 1 16 . 1 1 33 33 ASP C C 32 176.998 176.998 175.015 1.983 18277 12949 1 16 . 1 1 33 33 ASP CA C 32 55.528 55.528 53.679 1.849 18277 12950 1 16 . 1 1 33 33 ASP CB C 32 40.659 40.659 40.455 0.204 18277 12951 1 16 . 1 1 33 33 ASP H H 32 9.134 9.134 7.966 1.168 18277 12952 1 16 . 1 1 34 34 GLY N N 33 106.691 106.691 107.345 -0.654 18277 12953 1 16 . 1 1 34 34 GLY C C 33 171.453 171.453 172.206 -0.753 18277 12954 1 16 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.669 1.696 18277 12955 1 16 . 1 1 34 34 GLY H H 33 8.104 8.104 7.706 0.398 18277 12956 1 16 . 1 1 35 35 LEU N N 34 119.801 119.801 120.947 -1.146 18277 12957 1 16 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.756 0.527 18277 12958 1 16 . 1 1 35 35 LEU C C 34 174.568 174.568 174.041 0.527 18277 12959 1 16 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.679 -2.111 18277 12960 1 16 . 1 1 35 35 LEU CB C 34 49.272 49.272 46.805 2.467 18277 12961 1 16 . 1 1 35 35 LEU H H 34 8.491 8.491 7.976 0.515 18277 12962 1 16 . 1 1 36 36 GLN N N 35 121.349 121.349 122.059 -0.710 18277 12963 1 16 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.367 -0.150 18277 12964 1 16 . 1 1 36 36 GLN C C 35 174.530 174.530 174.154 0.376 18277 12965 1 16 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.303 0.460 18277 12966 1 16 . 1 1 36 36 GLN CB C 35 31.480 31.480 30.916 0.564 18277 12967 1 16 . 1 1 36 36 GLN H H 35 8.992 8.992 8.722 0.270 18277 12968 1 16 . 1 1 37 37 LEU N N 36 126.882 126.882 126.753 0.129 18277 12969 1 16 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.110 0.248 18277 12970 1 16 . 1 1 37 37 LEU C C 36 174.519 174.519 176.119 -1.600 18277 12971 1 16 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.504 1.427 18277 12972 1 16 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.590 0.661 18277 12973 1 16 . 1 1 37 37 LEU H H 36 9.826 9.826 8.560 1.266 18277 12974 1 16 . 1 1 38 38 ASP N N 37 122.748 122.748 121.052 1.696 18277 12975 1 16 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.931 0.518 18277 12976 1 16 . 1 1 38 38 ASP C C 37 175.197 175.197 174.597 0.600 18277 12977 1 16 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.202 0.177 18277 12978 1 16 . 1 1 38 38 ASP CB C 37 42.062 42.062 42.437 -0.375 18277 12979 1 16 . 1 1 38 38 ASP H H 37 8.556 8.556 8.295 0.261 18277 12980 1 16 . 1 1 39 39 VAL N N 38 124.835 124.835 124.560 0.275 18277 12981 1 16 . 1 1 39 39 VAL HA H 38 4.141 4.141 4.064 0.076 18277 12982 1 16 . 1 1 39 39 VAL C C 38 174.081 174.081 175.246 -1.165 18277 12983 1 16 . 1 1 39 39 VAL CA C 38 60.442 60.442 61.345 -0.903 18277 12984 1 16 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.510 2.084 18277 12985 1 16 . 1 1 39 39 VAL H H 38 9.495 9.495 7.963 1.532 18277 12986 1 16 . 1 1 40 40 ARG N N 39 131.221 131.221 127.520 3.701 18277 12987 1 16 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.626 -0.110 18277 12988 1 16 . 1 1 40 40 ARG C C 39 174.144 174.144 176.225 -2.081 18277 12989 1 16 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.508 -0.004 18277 12990 1 16 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.066 0.053 18277 12991 1 16 . 1 1 40 40 ARG H H 39 9.046 9.046 8.496 0.550 18277 12992 1 16 . 1 1 41 41 LEU N N 40 129.501 129.501 122.059 7.442 18277 12993 1 16 . 1 1 41 41 LEU HA H 40 4.026 4.026 3.953 0.073 18277 12994 1 16 . 1 1 41 41 LEU C C 40 176.934 176.934 177.007 -0.073 18277 12995 1 16 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.269 0.594 18277 12996 1 16 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.389 1.359 18277 12997 1 16 . 1 1 41 41 LEU H H 40 7.786 7.786 8.034 -0.248 18277 12998 1 16 . 1 1 42 42 LYS N N 41 112.553 112.553 115.256 -2.703 18277 12999 1 16 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.491 0.203 18277 13000 1 16 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.232 -1.053 18277 13001 1 16 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.023 0.980 18277 13002 1 16 . 1 1 42 42 LYS H H 41 8.313 8.313 7.528 0.785 18277 13003 1 16 . 1 1 43 43 THR HA H 42 3.860 3.860 4.139 -0.279 18277 13004 1 16 . 1 1 43 43 THR C C 42 174.883 174.883 174.401 0.482 18277 13005 1 16 . 1 1 43 43 THR CA C 42 66.494 66.494 65.209 1.285 18277 13006 1 16 . 1 1 43 43 THR CB C 42 68.508 68.508 68.902 -0.394 18277 13007 1 16 . 1 1 44 44 ASP N N 43 114.795 114.795 118.318 -3.523 18277 13008 1 16 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.852 -0.023 18277 13009 1 16 . 1 1 44 44 ASP C C 43 176.791 176.791 174.680 2.111 18277 13010 1 16 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.553 -0.632 18277 13011 1 16 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.206 0.864 18277 13012 1 16 . 1 1 44 44 ASP H H 43 7.759 7.759 8.137 -0.378 18277 13013 1 16 . 1 1 45 45 THR N N 44 115.323 115.323 116.978 -1.655 18277 13014 1 16 . 1 1 45 45 THR HA H 44 5.303 5.303 5.037 0.266 18277 13015 1 16 . 1 1 45 45 THR C C 44 171.480 171.480 172.779 -1.299 18277 13016 1 16 . 1 1 45 45 THR CA C 44 62.732 62.732 61.563 1.169 18277 13017 1 16 . 1 1 45 45 THR CB C 44 72.378 72.378 71.964 0.414 18277 13018 1 16 . 1 1 45 45 THR H H 44 7.551 7.551 8.294 -0.743 18277 13019 1 16 . 1 1 46 46 LEU N N 45 130.323 130.323 128.794 1.529 18277 13020 1 16 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.111 -0.157 18277 13021 1 16 . 1 1 46 46 LEU C C 45 174.048 174.048 174.436 -0.388 18277 13022 1 16 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.195 0.162 18277 13023 1 16 . 1 1 46 46 LEU CB C 45 45.735 45.735 45.309 0.426 18277 13024 1 16 . 1 1 46 46 LEU H H 45 9.590 9.590 8.806 0.784 18277 13025 1 16 . 1 1 47 47 LEU N N 46 127.468 127.468 128.314 -0.846 18277 13026 1 16 . 1 1 47 47 LEU HA H 46 5.150 5.150 4.938 0.212 18277 13027 1 16 . 1 1 47 47 LEU C C 46 173.309 173.309 175.167 -1.858 18277 13028 1 16 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.469 0.117 18277 13029 1 16 . 1 1 47 47 LEU CB C 46 45.122 45.122 42.459 2.663 18277 13030 1 16 . 1 1 47 47 LEU H H 46 9.673 9.673 9.173 0.500 18277 13031 1 16 . 1 1 48 48 GLU N N 47 131.371 131.371 128.499 2.872 18277 13032 1 16 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.524 0.698 18277 13033 1 16 . 1 1 48 48 GLU C C 47 173.970 173.970 174.803 -0.833 18277 13034 1 16 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.342 -1.669 18277 13035 1 16 . 1 1 48 48 GLU CB C 47 31.910 31.910 29.751 2.159 18277 13036 1 16 . 1 1 48 48 GLU H H 47 9.400 9.400 8.610 0.790 18277 13037 1 16 . 1 1 49 49 LEU N N 48 129.742 129.742 127.293 2.449 18277 13038 1 16 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.536 0.451 18277 13039 1 16 . 1 1 49 49 LEU C C 48 174.115 174.115 175.172 -1.057 18277 13040 1 16 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.014 0.659 18277 13041 1 16 . 1 1 49 49 LEU CB C 48 45.638 45.638 43.283 2.355 18277 13042 1 16 . 1 1 49 49 LEU H H 48 9.433 9.433 8.135 1.298 18277 13043 1 16 . 1 1 50 50 HIS N N 49 126.356 126.356 125.274 1.082 18277 13044 1 16 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.601 -0.181 18277 13045 1 16 . 1 1 50 50 HIS C C 49 174.293 174.293 174.692 -0.399 18277 13046 1 16 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.397 2.229 18277 13047 1 16 . 1 1 50 50 HIS CB C 49 33.850 33.850 32.337 1.513 18277 13048 1 16 . 1 1 50 50 HIS H H 49 9.575 9.575 9.207 0.368 18277 13049 1 16 . 1 1 51 51 ILE N N 50 123.679 123.679 125.458 -1.779 18277 13050 1 16 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.646 0.600 18277 13051 1 16 . 1 1 51 51 ILE C C 50 175.021 175.021 174.461 0.560 18277 13052 1 16 . 1 1 51 51 ILE CA C 50 60.592 60.592 60.272 0.320 18277 13053 1 16 . 1 1 51 51 ILE CB C 50 40.771 40.771 40.250 0.521 18277 13054 1 16 . 1 1 51 51 ILE H H 50 8.991 8.991 8.574 0.417 18277 13055 1 16 . 1 1 52 52 TYR N N 51 126.281 126.281 125.186 1.095 18277 13056 1 16 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.332 0.139 18277 13057 1 16 . 1 1 52 52 TYR C C 51 171.145 171.145 172.850 -1.705 18277 13058 1 16 . 1 1 52 52 TYR CA C 51 55.612 55.612 56.229 -0.617 18277 13059 1 16 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.926 0.195 18277 13060 1 16 . 1 1 52 52 TYR H H 51 9.189 9.189 8.165 1.024 18277 13061 1 16 . 1 1 53 53 TYR N N 52 120.025 120.025 122.571 -2.546 18277 13062 1 16 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.555 -0.748 18277 13063 1 16 . 1 1 53 53 TYR C C 52 173.874 173.874 173.711 0.163 18277 13064 1 16 . 1 1 53 53 TYR CA C 52 56.962 56.962 56.143 0.819 18277 13065 1 16 . 1 1 53 53 TYR CB C 52 39.544 39.544 40.833 -1.288 18277 13066 1 16 . 1 1 53 53 TYR H H 52 7.985 7.985 8.762 -0.777 18277 13067 1 16 . 1 1 54 54 ASP N N 53 127.411 127.411 121.936 5.475 18277 13068 1 16 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.689 0.004 18277 13069 1 16 . 1 1 54 54 ASP C C 53 175.962 175.962 175.347 0.615 18277 13070 1 16 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.788 1.188 18277 13071 1 16 . 1 1 54 54 ASP CB C 53 43.028 43.028 43.569 -0.541 18277 13072 1 16 . 1 1 54 54 ASP H H 53 7.449 7.449 7.607 -0.158 18277 13073 1 16 . 1 1 55 55 HIS N N 54 124.486 124.486 122.079 2.407 18277 13074 1 16 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.510 -0.531 18277 13075 1 16 . 1 1 55 55 HIS C C 54 175.406 175.406 174.815 0.591 18277 13076 1 16 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.459 2.158 18277 13077 1 16 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.659 1.758 18277 13078 1 16 . 1 1 55 55 HIS H H 54 8.512 8.512 8.643 -0.131 18277 13079 1 16 . 1 1 56 56 VAL N N 55 120.625 120.625 118.216 2.409 18277 13080 1 16 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.836 -0.300 18277 13081 1 16 . 1 1 56 56 VAL C C 55 177.379 177.379 176.144 1.235 18277 13082 1 16 . 1 1 56 56 VAL CA C 55 65.174 65.174 63.360 1.814 18277 13083 1 16 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.990 -0.716 18277 13084 1 16 . 1 1 56 56 VAL H H 55 8.397 8.397 7.528 0.869 18277 13085 1 16 . 1 1 57 57 TYR N N 56 115.771 115.771 116.077 -0.306 18277 13086 1 16 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.648 -0.382 18277 13087 1 16 . 1 1 57 57 TYR C C 56 174.645 174.645 175.845 -1.200 18277 13088 1 16 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.295 1.431 18277 13089 1 16 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.112 0.454 18277 13090 1 16 . 1 1 57 57 TYR H H 56 7.641 7.641 7.567 0.074 18277 13091 1 16 . 1 1 58 58 HIS N N 57 116.177 116.177 115.438 0.739 18277 13092 1 16 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.303 -0.556 18277 13093 1 16 . 1 1 58 58 HIS C C 57 172.860 172.860 173.143 -0.283 18277 13094 1 16 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.528 -0.880 18277 13095 1 16 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.160 -1.858 18277 13096 1 16 . 1 1 58 58 HIS H H 57 7.764 7.764 7.800 -0.036 18277 13097 1 16 . 1 1 59 59 VAL N N 58 104.729 104.729 109.577 -4.848 18277 13098 1 16 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.802 -0.102 18277 13099 1 16 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.244 -1.912 18277 13100 1 16 . 1 1 59 59 VAL CB C 58 34.213 34.213 34.069 0.144 18277 13101 1 16 . 1 1 59 59 VAL H H 58 6.310 6.310 6.882 -0.572 18277 13102 1 16 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.058 0.287 18277 13103 1 16 . 1 1 60 60 PRO C C 59 174.254 174.254 175.229 -0.975 18277 13104 1 16 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.812 -0.222 18277 13105 1 16 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.593 -1.817 18277 13106 1 16 . 1 1 61 61 SER N N 60 116.530 116.530 113.461 3.069 18277 13107 1 16 . 1 1 61 61 SER HA H 60 4.899 4.899 4.725 0.174 18277 13108 1 16 . 1 1 61 61 SER CA C 60 57.691 57.691 56.139 1.552 18277 13109 1 16 . 1 1 61 61 SER CB C 60 66.483 66.483 64.406 2.077 18277 13110 1 16 . 1 1 61 61 SER H H 60 8.854 8.854 8.182 0.672 18277 13111 1 16 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.845 0.859 18277 13112 1 16 . 1 1 62 62 ILE C C 61 176.160 176.160 173.908 2.252 18277 13113 1 16 . 1 1 62 62 ILE CA C 61 59.918 59.918 60.984 -1.066 18277 13114 1 16 . 1 1 62 62 ILE CB C 61 42.789 42.789 43.421 -0.632 18277 13115 1 16 . 1 1 63 63 LYS N N 62 123.794 123.794 125.814 -2.020 18277 13116 1 16 . 1 1 63 63 LYS HA H 62 5.694 5.694 5.001 0.693 18277 13117 1 16 . 1 1 63 63 LYS C C 62 174.598 174.598 174.215 0.383 18277 13118 1 16 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.032 -0.524 18277 13119 1 16 . 1 1 63 63 LYS CB C 62 35.703 35.703 36.039 -0.336 18277 13120 1 16 . 1 1 63 63 LYS H H 62 9.011 9.011 9.166 -0.155 18277 13121 1 16 . 1 1 64 64 PHE N N 63 116.267 116.267 120.464 -4.197 18277 13122 1 16 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.304 1.009 18277 13123 1 16 . 1 1 64 64 PHE C C 63 173.139 173.139 173.226 -0.087 18277 13124 1 16 . 1 1 64 64 PHE CA C 63 56.593 56.593 56.159 0.434 18277 13125 1 16 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.639 0.302 18277 13126 1 16 . 1 1 64 64 PHE H H 63 9.776 9.776 7.873 1.903 18277 13127 1 16 . 1 1 65 65 ARG N N 64 116.428 116.428 119.290 -2.862 18277 13128 1 16 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.804 -0.023 18277 13129 1 16 . 1 1 65 65 ARG C C 64 173.867 173.867 175.587 -1.720 18277 13130 1 16 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.806 0.951 18277 13131 1 16 . 1 1 65 65 ARG CB C 64 35.068 35.068 31.901 3.167 18277 13132 1 16 . 1 1 65 65 ARG H H 64 9.257 9.257 8.188 1.069 18277 13133 1 16 . 1 1 66 66 LEU N N 65 121.826 121.826 124.141 -2.315 18277 13134 1 16 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.223 1.226 18277 13135 1 16 . 1 1 66 66 LEU C C 65 174.002 174.002 177.026 -3.024 18277 13136 1 16 . 1 1 66 66 LEU CA C 65 53.826 53.826 56.421 -2.595 18277 13137 1 16 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.625 4.047 18277 13138 1 16 . 1 1 66 66 LEU H H 65 9.041 9.041 8.824 0.217 18277 13139 1 16 . 1 1 67 67 TRP N N 66 120.671 120.671 121.404 -0.733 18277 13140 1 16 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.072 0.251 18277 13141 1 16 . 1 1 67 67 TRP C C 66 175.763 175.763 175.526 0.237 18277 13142 1 16 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.574 -1.492 18277 13143 1 16 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.766 -0.595 18277 13144 1 16 . 1 1 67 67 TRP H H 66 9.366 9.366 8.519 0.847 18277 13145 1 16 . 1 1 68 68 SER N N 67 117.273 117.273 117.483 -0.210 18277 13146 1 16 . 1 1 68 68 SER HA H 67 5.297 5.297 5.147 0.150 18277 13147 1 16 . 1 1 68 68 SER C C 67 174.327 174.327 174.249 0.078 18277 13148 1 16 . 1 1 68 68 SER CA C 67 56.883 56.883 56.190 0.694 18277 13149 1 16 . 1 1 68 68 SER CB C 67 65.230 65.230 63.488 1.742 18277 13150 1 16 . 1 1 68 68 SER H H 67 9.750 9.750 9.315 0.435 18277 13151 1 16 . 1 1 69 69 LEU N N 68 126.002 126.002 130.424 -4.422 18277 13152 1 16 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.489 0.269 18277 13153 1 16 . 1 1 69 69 LEU C C 68 176.022 176.022 176.405 -0.383 18277 13154 1 16 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.840 -1.462 18277 13155 1 16 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.566 0.805 18277 13156 1 16 . 1 1 69 69 LEU H H 68 8.119 8.119 8.641 -0.522 18277 13157 1 16 . 1 1 70 70 ASP N N 69 124.828 124.828 125.970 -1.142 18277 13158 1 16 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.898 -0.117 18277 13159 1 16 . 1 1 70 70 ASP C C 69 176.396 176.396 175.777 0.619 18277 13160 1 16 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.967 0.416 18277 13161 1 16 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.926 -0.934 18277 13162 1 16 . 1 1 70 70 ASP H H 69 8.572 8.572 8.274 0.298 18277 13163 1 16 . 1 1 71 71 THR N N 70 114.913 114.913 115.738 -0.825 18277 13164 1 16 . 1 1 71 71 THR HA H 70 4.531 4.531 4.516 0.015 18277 13165 1 16 . 1 1 71 71 THR C C 70 174.451 174.451 174.598 -0.147 18277 13166 1 16 . 1 1 71 71 THR CA C 70 61.742 61.742 62.056 -0.314 18277 13167 1 16 . 1 1 71 71 THR CB C 70 69.950 69.950 68.921 1.028 18277 13168 1 16 . 1 1 71 71 THR H H 70 8.403 8.403 8.519 -0.116 18277 13169 1 16 . 1 1 72 72 GLU N N 71 123.605 123.605 122.104 1.501 18277 13170 1 16 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.132 0.109 18277 13171 1 16 . 1 1 72 72 GLU C C 71 176.451 176.451 176.940 -0.489 18277 13172 1 16 . 1 1 72 72 GLU CA C 71 57.207 57.207 59.082 -1.875 18277 13173 1 16 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.694 0.716 18277 13174 1 16 . 1 1 72 72 GLU H H 71 8.542 8.542 8.639 -0.097 18277 13175 1 16 . 1 1 73 73 GLU N N 72 119.641 119.641 116.654 2.987 18277 13176 1 16 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.370 -0.259 18277 13177 1 16 . 1 1 73 73 GLU C C 72 175.577 175.577 175.320 0.257 18277 13178 1 16 . 1 1 73 73 GLU CA C 72 57.097 57.097 55.975 1.122 18277 13179 1 16 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.078 -0.735 18277 13180 1 16 . 1 1 73 73 GLU H H 72 8.503 8.503 8.239 0.264 18277 13181 1 16 . 1 1 74 74 ASP N N 73 117.882 117.882 119.180 -1.298 18277 13182 1 16 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.379 0.192 18277 13183 1 16 . 1 1 74 74 ASP C C 73 176.077 176.077 175.568 0.509 18277 13184 1 16 . 1 1 74 74 ASP CA C 73 54.494 54.494 54.942 -0.448 18277 13185 1 16 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.059 1.879 18277 13186 1 16 . 1 1 74 74 ASP H H 73 8.228 8.228 8.428 -0.200 18277 13187 1 16 . 1 1 75 75 ILE N N 74 120.809 120.809 112.499 8.310 18277 13188 1 16 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.337 -0.128 18277 13189 1 16 . 1 1 75 75 ILE C C 74 175.939 175.939 176.224 -0.285 18277 13190 1 16 . 1 1 75 75 ILE CA C 74 61.326 61.326 61.147 0.179 18277 13191 1 16 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.629 0.040 18277 13192 1 16 . 1 1 75 75 ILE H H 74 8.089 8.089 8.037 0.052 18277 13193 1 16 . 1 1 76 76 SER N N 75 119.402 119.402 114.759 4.643 18277 13194 1 16 . 1 1 76 76 SER HA H 75 4.652 4.652 4.189 0.463 18277 13195 1 16 . 1 1 76 76 SER C C 75 174.313 174.313 173.811 0.502 18277 13196 1 16 . 1 1 76 76 SER CA C 75 58.778 58.778 58.556 0.222 18277 13197 1 16 . 1 1 76 76 SER CB C 75 63.860 63.860 62.383 1.477 18277 13198 1 16 . 1 1 76 76 SER H H 75 8.449 8.449 8.006 0.443 18277 13199 1 16 . 1 1 77 77 SER N N 76 118.644 118.644 115.732 2.912 18277 13200 1 16 . 1 1 77 77 SER HA H 76 4.588 4.588 4.688 -0.100 18277 13201 1 16 . 1 1 77 77 SER C C 76 173.094 173.094 173.236 -0.142 18277 13202 1 16 . 1 1 77 77 SER CA C 76 57.772 57.772 58.536 -0.764 18277 13203 1 16 . 1 1 77 77 SER CB C 76 64.461 64.461 64.135 0.326 18277 13204 1 16 . 1 1 77 77 SER H H 76 8.280 8.280 7.664 0.616 18277 13205 1 16 . 1 1 78 78 LEU N N 77 123.896 123.896 115.415 8.481 18277 13206 1 16 . 1 1 78 78 LEU HA H 77 4.998 4.998 4.993 0.005 18277 13207 1 16 . 1 1 78 78 LEU C C 77 177.081 177.081 175.161 1.920 18277 13208 1 16 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.305 0.703 18277 13209 1 16 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.488 -1.467 18277 13210 1 16 . 1 1 78 78 LEU H H 77 7.981 7.981 8.269 -0.288 18277 13211 1 16 . 1 1 79 79 ARG N N 78 123.195 123.195 119.974 3.221 18277 13212 1 16 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.836 0.123 18277 13213 1 16 . 1 1 79 79 ARG C C 78 174.994 174.994 174.152 0.842 18277 13214 1 16 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.420 -0.756 18277 13215 1 16 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.540 -0.260 18277 13216 1 16 . 1 1 79 79 ARG H H 78 9.013 9.013 8.230 0.783 18277 13217 1 16 . 1 1 80 80 LEU N N 79 128.388 128.388 127.891 0.497 18277 13218 1 16 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.774 0.004 18277 13219 1 16 . 1 1 80 80 LEU C C 79 177.216 177.216 175.075 2.141 18277 13220 1 16 . 1 1 80 80 LEU CA C 79 56.049 56.049 54.955 1.094 18277 13221 1 16 . 1 1 80 80 LEU CB C 79 42.285 42.285 40.945 1.340 18277 13222 1 16 . 1 1 80 80 LEU H H 79 8.807 8.807 8.800 0.007 18277 13223 1 16 . 1 1 81 81 LEU N N 80 127.521 127.521 129.286 -1.765 18277 13224 1 16 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.482 0.081 18277 13225 1 16 . 1 1 81 81 LEU C C 80 176.354 176.354 176.525 -0.171 18277 13226 1 16 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.449 -0.288 18277 13227 1 16 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.430 -0.020 18277 13228 1 16 . 1 1 81 81 LEU H H 80 8.478 8.478 8.070 0.408 18277 13229 1 16 . 1 1 82 82 THR N N 81 121.108 121.108 115.992 5.116 18277 13230 1 16 . 1 1 82 82 THR HA H 81 4.391 4.391 4.669 -0.278 18277 13231 1 16 . 1 1 82 82 THR C C 81 173.678 173.678 174.061 -0.383 18277 13232 1 16 . 1 1 82 82 THR CA C 81 61.112 61.112 61.777 -0.665 18277 13233 1 16 . 1 1 82 82 THR CB C 81 68.941 68.941 68.877 0.064 18277 13234 1 16 . 1 1 82 82 THR H H 81 8.735 8.735 8.070 0.665 18277 13235 1 16 . 1 1 83 83 LEU N N 82 125.276 125.276 123.221 2.055 18277 13236 1 16 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.965 -0.194 18277 13237 1 16 . 1 1 83 83 LEU C C 82 177.192 177.192 176.500 0.692 18277 13238 1 16 . 1 1 83 83 LEU CA C 82 53.414 53.414 52.392 1.022 18277 13239 1 16 . 1 1 83 83 LEU CB C 82 44.525 44.525 43.487 1.038 18277 13240 1 16 . 1 1 83 83 LEU H H 82 7.985 7.985 8.577 -0.592 18277 13241 1 16 . 1 1 84 84 SER N N 83 118.590 118.590 115.982 2.608 18277 13242 1 16 . 1 1 84 84 SER HA H 83 4.591 4.591 4.305 0.286 18277 13243 1 16 . 1 1 84 84 SER C C 83 174.317 174.317 175.234 -0.917 18277 13244 1 16 . 1 1 84 84 SER CA C 83 57.202 57.202 59.337 -2.135 18277 13245 1 16 . 1 1 84 84 SER CB C 83 65.345 65.345 63.674 1.671 18277 13246 1 16 . 1 1 84 84 SER H H 83 9.214 9.214 8.643 0.571 18277 13247 1 16 . 1 1 85 85 ASP N N 84 121.149 121.149 120.320 0.829 18277 13248 1 16 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.534 -0.191 18277 13249 1 16 . 1 1 85 85 ASP C C 84 178.027 178.027 178.236 -0.209 18277 13250 1 16 . 1 1 85 85 ASP CA C 84 58.791 58.791 56.545 2.246 18277 13251 1 16 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.784 1.202 18277 13252 1 16 . 1 1 85 85 ASP H H 84 9.014 9.014 8.819 0.195 18277 13253 1 16 . 1 1 86 86 SER N N 85 111.874 111.874 114.668 -2.794 18277 13254 1 16 . 1 1 86 86 SER HA H 85 4.110 4.110 4.269 -0.159 18277 13255 1 16 . 1 1 86 86 SER C C 85 177.696 177.696 175.673 2.023 18277 13256 1 16 . 1 1 86 86 SER CA C 85 61.560 61.560 61.291 0.269 18277 13257 1 16 . 1 1 86 86 SER CB C 85 62.355 62.355 63.163 -0.807 18277 13258 1 16 . 1 1 86 86 SER H H 85 8.467 8.467 8.331 0.136 18277 13259 1 16 . 1 1 87 87 GLU N N 86 122.948 122.948 119.407 3.541 18277 13260 1 16 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.236 -0.159 18277 13261 1 16 . 1 1 87 87 GLU C C 86 180.335 180.335 178.371 1.964 18277 13262 1 16 . 1 1 87 87 GLU CA C 86 59.036 59.036 57.896 1.140 18277 13263 1 16 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.618 1.201 18277 13264 1 16 . 1 1 87 87 GLU H H 86 7.660 7.660 8.306 -0.646 18277 13265 1 16 . 1 1 88 88 LEU N N 87 122.341 122.341 122.326 0.015 18277 13266 1 16 . 1 1 88 88 LEU HA H 87 3.883 3.883 3.929 -0.046 18277 13267 1 16 . 1 1 88 88 LEU C C 87 178.818 178.818 178.183 0.635 18277 13268 1 16 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.655 0.419 18277 13269 1 16 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.833 0.538 18277 13270 1 16 . 1 1 88 88 LEU H H 87 8.878 8.878 8.015 0.863 18277 13271 1 16 . 1 1 89 89 ARG N N 88 115.874 115.874 118.216 -2.342 18277 13272 1 16 . 1 1 89 89 ARG HA H 88 4.126 4.126 3.974 0.152 18277 13273 1 16 . 1 1 89 89 ARG C C 88 176.552 176.552 177.895 -1.343 18277 13274 1 16 . 1 1 89 89 ARG CA C 88 58.720 58.720 57.954 0.766 18277 13275 1 16 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.353 0.432 18277 13276 1 16 . 1 1 89 89 ARG H H 88 7.956 7.956 8.367 -0.411 18277 13277 1 16 . 1 1 90 90 SER N N 89 112.295 112.295 113.381 -1.086 18277 13278 1 16 . 1 1 90 90 SER HA H 89 4.565 4.565 4.256 0.309 18277 13279 1 16 . 1 1 90 90 SER C C 89 174.817 174.817 175.449 -0.632 18277 13280 1 16 . 1 1 90 90 SER CA C 89 60.043 60.043 60.726 -0.683 18277 13281 1 16 . 1 1 90 90 SER CB C 89 63.858 63.858 63.198 0.660 18277 13282 1 16 . 1 1 90 90 SER H H 89 7.481 7.481 7.586 -0.105 18277 13283 1 16 . 1 1 91 91 ILE N N 90 116.577 116.577 114.005 2.572 18277 13284 1 16 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.299 0.139 18277 13285 1 16 . 1 1 91 91 ILE C C 90 174.636 174.636 175.344 -0.708 18277 13286 1 16 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.416 0.846 18277 13287 1 16 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.900 1.709 18277 13288 1 16 . 1 1 91 91 ILE H H 90 7.372 7.372 7.375 -0.003 18277 13289 1 16 . 1 1 92 92 LEU N N 91 119.723 119.723 119.143 0.580 18277 13290 1 16 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.391 0.250 18277 13291 1 16 . 1 1 92 92 LEU C C 91 175.178 175.178 176.159 -0.981 18277 13292 1 16 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.036 -1.223 18277 13293 1 16 . 1 1 92 92 LEU CB C 91 43.673 43.673 43.127 0.546 18277 13294 1 16 . 1 1 92 92 LEU H H 91 7.900 7.900 7.631 0.269 18277 13295 1 16 . 1 1 93 93 ASN N N 92 119.687 119.687 117.938 1.749 18277 13296 1 16 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.834 0.149 18277 13297 1 16 . 1 1 93 93 ASN C C 92 174.978 174.978 174.436 0.542 18277 13298 1 16 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.278 -0.907 18277 13299 1 16 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.695 -1.964 18277 13300 1 16 . 1 1 93 93 ASN H H 92 8.916 8.916 8.366 0.550 18277 13301 1 16 . 1 1 94 94 LEU N N 93 121.052 121.052 124.528 -3.476 18277 13302 1 16 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.364 -0.418 18277 13303 1 16 . 1 1 94 94 LEU C C 93 177.367 177.367 178.362 -0.995 18277 13304 1 16 . 1 1 94 94 LEU CA C 93 57.051 57.051 55.771 1.280 18277 13305 1 16 . 1 1 94 94 LEU CB C 93 42.772 42.772 41.954 0.818 18277 13306 1 16 . 1 1 94 94 LEU H H 93 8.172 8.172 8.660 -0.488 18277 13307 1 16 . 1 1 95 95 GLY N N 94 105.340 105.340 106.839 -1.499 18277 13308 1 16 . 1 1 95 95 GLY C C 94 176.133 176.133 175.977 0.156 18277 13309 1 16 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.150 0.199 18277 13310 1 16 . 1 1 95 95 GLY H H 94 8.281 8.281 8.100 0.181 18277 13311 1 16 . 1 1 96 96 THR N N 95 117.040 117.040 118.100 -1.060 18277 13312 1 16 . 1 1 96 96 THR HA H 95 4.242 4.242 4.425 -0.183 18277 13313 1 16 . 1 1 96 96 THR C C 95 175.349 175.349 174.778 0.571 18277 13314 1 16 . 1 1 96 96 THR CA C 95 61.859 61.859 62.251 -0.392 18277 13315 1 16 . 1 1 96 96 THR CB C 95 68.399 68.399 69.900 -1.500 18277 13316 1 16 . 1 1 96 96 THR H H 95 8.419 8.419 8.258 0.161 18277 13317 1 16 . 1 1 97 97 PHE N N 96 122.590 122.590 120.942 1.648 18277 13318 1 16 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.416 0.306 18277 13319 1 16 . 1 1 97 97 PHE C C 96 174.704 174.704 175.246 -0.542 18277 13320 1 16 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.543 -0.944 18277 13321 1 16 . 1 1 97 97 PHE CB C 96 39.149 39.149 40.051 -0.902 18277 13322 1 16 . 1 1 97 97 PHE H H 96 8.517 8.517 8.463 0.054 18277 13323 1 16 . 1 1 98 98 SER N N 97 114.201 114.201 113.050 1.151 18277 13324 1 16 . 1 1 98 98 SER HA H 97 4.859 4.859 4.849 0.010 18277 13325 1 16 . 1 1 98 98 SER C C 97 173.002 173.002 172.313 0.689 18277 13326 1 16 . 1 1 98 98 SER CA C 97 57.346 57.346 57.826 -0.480 18277 13327 1 16 . 1 1 98 98 SER CB C 97 65.739 65.739 66.242 -0.503 18277 13328 1 16 . 1 1 98 98 SER H H 97 9.129 9.129 8.447 0.682 18277 13329 1 16 . 1 1 99 99 VAL N N 98 120.191 120.191 119.371 0.820 18277 13330 1 16 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.591 0.928 18277 13331 1 16 . 1 1 99 99 VAL C C 98 175.574 175.574 174.438 1.136 18277 13332 1 16 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.320 -0.930 18277 13333 1 16 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.727 -0.301 18277 13334 1 16 . 1 1 99 99 VAL H H 98 8.655 8.655 8.337 0.318 18277 13335 1 16 . 1 1 100 100 THR N N 99 120.623 120.623 120.410 0.213 18277 13336 1 16 . 1 1 100 100 THR HA H 99 4.729 4.729 4.716 0.013 18277 13337 1 16 . 1 1 100 100 THR C C 99 172.605 172.605 172.521 0.084 18277 13338 1 16 . 1 1 100 100 THR CA C 99 61.114 61.114 61.556 -0.442 18277 13339 1 16 . 1 1 100 100 THR CB C 99 71.850 71.850 70.356 1.494 18277 13340 1 16 . 1 1 100 100 THR H H 99 8.997 8.997 8.829 0.168 18277 13341 1 16 . 1 1 101 101 LEU N N 100 127.613 127.613 129.773 -2.160 18277 13342 1 16 . 1 1 101 101 LEU HA H 100 4.949 4.949 4.994 -0.045 18277 13343 1 16 . 1 1 101 101 LEU C C 100 176.666 176.666 175.721 0.945 18277 13344 1 16 . 1 1 101 101 LEU CA C 100 54.689 54.689 54.185 0.504 18277 13345 1 16 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.444 -0.278 18277 13346 1 16 . 1 1 101 101 LEU H H 100 8.766 8.766 8.694 0.072 18277 13347 1 16 . 1 1 102 102 SER N N 101 119.771 119.771 121.851 -2.080 18277 13348 1 16 . 1 1 102 102 SER HA H 101 4.749 4.749 4.940 -0.191 18277 13349 1 16 . 1 1 102 102 SER C C 101 173.477 173.477 172.381 1.096 18277 13350 1 16 . 1 1 102 102 SER CA C 101 57.514 57.514 57.260 0.254 18277 13351 1 16 . 1 1 102 102 SER CB C 101 65.024 65.024 65.788 -0.764 18277 13352 1 16 . 1 1 102 102 SER H H 101 8.926 8.926 8.579 0.347 18277 13353 1 16 . 1 1 103 103 THR N N 102 117.853 117.853 118.322 -0.469 18277 13354 1 16 . 1 1 103 103 THR HA H 102 4.618 4.618 4.655 -0.037 18277 13355 1 16 . 1 1 103 103 THR C C 102 174.020 174.020 172.777 1.243 18277 13356 1 16 . 1 1 103 103 THR CA C 102 61.991 61.991 61.089 0.902 18277 13357 1 16 . 1 1 103 103 THR CB C 102 69.972 69.972 71.182 -1.210 18277 13358 1 16 . 1 1 103 103 THR H H 102 8.409 8.409 8.205 0.204 18277 13359 1 16 . 1 1 104 104 ASP N N 103 125.295 125.295 122.507 2.788 18277 13360 1 16 . 1 1 104 104 ASP HA H 103 4.708 4.708 5.003 -0.295 18277 13361 1 16 . 1 1 104 104 ASP C C 103 176.908 176.908 177.578 -0.670 18277 13362 1 16 . 1 1 104 104 ASP CA C 103 53.559 53.559 52.332 1.227 18277 13363 1 16 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.827 -0.582 18277 13364 1 16 . 1 1 104 104 ASP H H 103 8.598 8.598 8.310 0.288 18277 13365 1 16 . 1 1 105 105 MET N N 104 122.470 122.470 121.214 1.256 18277 13366 1 16 . 1 1 105 105 MET HA H 104 4.270 4.270 4.168 0.102 18277 13367 1 16 . 1 1 105 105 MET C C 104 177.354 177.354 176.781 0.573 18277 13368 1 16 . 1 1 105 105 MET CA C 104 57.300 57.300 58.151 -0.851 18277 13369 1 16 . 1 1 105 105 MET CB C 104 32.108 32.108 32.706 -0.598 18277 13370 1 16 . 1 1 105 105 MET H H 104 8.719 8.719 8.444 0.275 18277 13371 1 16 . 1 1 106 106 GLU N N 105 118.752 118.752 117.982 0.770 18277 13372 1 16 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.100 0.136 18277 13373 1 16 . 1 1 106 106 GLU C C 105 177.172 177.172 176.761 0.411 18277 13374 1 16 . 1 1 106 106 GLU CA C 105 57.729 57.729 57.624 0.105 18277 13375 1 16 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.815 -0.039 18277 13376 1 16 . 1 1 106 106 GLU H H 105 8.306 8.306 8.180 0.126 18277 13377 1 16 . 1 1 107 107 MET N N 106 116.736 116.736 113.622 3.114 18277 13378 1 16 . 1 1 107 107 MET HA H 106 4.329 4.329 4.141 0.188 18277 13379 1 16 . 1 1 107 107 MET C C 106 176.319 176.319 174.542 1.777 18277 13380 1 16 . 1 1 107 107 MET CA C 106 55.514 55.514 56.346 -0.832 18277 13381 1 16 . 1 1 107 107 MET CB C 106 31.566 31.566 31.676 -0.110 18277 13382 1 16 . 1 1 107 107 MET H H 106 8.206 8.206 7.872 0.334 18277 13383 1 16 . 1 1 108 108 LYS N N 107 117.661 117.661 116.100 1.561 18277 13384 1 16 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.224 -0.138 18277 13385 1 16 . 1 1 108 108 LYS C C 107 176.049 176.049 176.577 -0.528 18277 13386 1 16 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.774 0.326 18277 13387 1 16 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.870 -1.980 18277 13388 1 16 . 1 1 108 108 LYS H H 107 8.382 8.382 7.860 0.522 18277 13389 1 16 . 1 1 109 109 SER N N 108 113.019 113.019 115.088 -2.069 18277 13390 1 16 . 1 1 109 109 SER HA H 108 4.566 4.566 4.461 0.105 18277 13391 1 16 . 1 1 109 109 SER C C 108 172.969 172.969 172.429 0.540 18277 13392 1 16 . 1 1 109 109 SER CA C 108 56.997 56.997 57.438 -0.440 18277 13393 1 16 . 1 1 109 109 SER CB C 108 65.035 65.035 64.162 0.873 18277 13394 1 16 . 1 1 109 109 SER H H 108 7.892 7.892 7.807 0.085 18277 13395 1 16 . 1 1 110 110 VAL N N 109 121.915 121.915 120.521 1.394 18277 13396 1 16 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.452 -0.050 18277 13397 1 16 . 1 1 110 110 VAL C C 109 174.706 174.706 173.783 0.923 18277 13398 1 16 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.043 1.931 18277 13399 1 16 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.722 -2.642 18277 13400 1 16 . 1 1 110 110 VAL H H 109 7.878 7.878 7.735 0.143 18277 13401 1 16 . 1 1 111 111 TYR N N 110 122.247 122.247 116.548 5.699 18277 13402 1 16 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.557 -0.221 18277 13403 1 16 . 1 1 111 111 TYR C C 110 173.915 173.915 174.058 -0.143 18277 13404 1 16 . 1 1 111 111 TYR CA C 110 57.263 57.263 56.806 0.458 18277 13405 1 16 . 1 1 111 111 TYR CB C 110 43.222 43.222 41.326 1.896 18277 13406 1 16 . 1 1 111 111 TYR H H 110 8.317 8.317 8.176 0.141 18277 13407 1 16 . 1 1 112 112 TYR N N 111 117.096 117.096 117.631 -0.535 18277 13408 1 16 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.622 0.247 18277 13409 1 16 . 1 1 112 112 TYR C C 111 175.418 175.418 174.648 0.770 18277 13410 1 16 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.635 0.548 18277 13411 1 16 . 1 1 112 112 TYR CB C 111 38.681 38.681 38.033 0.648 18277 13412 1 16 . 1 1 112 112 TYR H H 111 8.690 8.690 8.669 0.021 18277 13413 1 16 . 1 1 113 113 TYR N N 112 120.208 120.208 122.513 -2.305 18277 13414 1 16 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.940 -0.001 18277 13415 1 16 . 1 1 113 113 TYR C C 112 176.674 176.674 176.415 0.259 18277 13416 1 16 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.493 -0.926 18277 13417 1 16 . 1 1 113 113 TYR CB C 112 39.924 39.924 38.112 1.812 18277 13418 1 16 . 1 1 113 113 TYR H H 112 9.374 9.374 8.923 0.451 18277 13419 1 16 . 1 1 114 114 ILE N N 113 121.490 121.490 125.428 -3.938 18277 13420 1 16 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.111 0.710 18277 13421 1 16 . 1 1 114 114 ILE C C 113 176.329 176.329 176.233 0.096 18277 13422 1 16 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.151 -2.112 18277 13423 1 16 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.419 -1.454 18277 13424 1 16 . 1 1 114 114 ILE H H 113 8.076 8.076 8.202 -0.126 18277 13425 1 16 . 1 1 115 115 ASN N N 114 129.212 129.212 126.009 3.203 18277 13426 1 16 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.631 0.070 18277 13427 1 16 . 1 1 115 115 ASN C C 114 175.914 175.914 174.634 1.280 18277 13428 1 16 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.661 0.361 18277 13429 1 16 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.785 -0.236 18277 13430 1 16 . 1 1 115 115 ASN H H 114 8.959 8.959 8.325 0.634 18277 13431 1 16 . 1 1 116 116 ASN N N 115 121.613 121.613 121.353 0.260 18277 13432 1 16 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.132 -0.263 18277 13433 1 16 . 1 1 116 116 ASN C C 115 178.040 178.040 175.624 2.416 18277 13434 1 16 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.983 -0.202 18277 13435 1 16 . 1 1 116 116 ASN CB C 115 39.096 39.096 38.925 0.171 18277 13436 1 16 . 1 1 116 116 ASN H H 115 8.464 8.464 8.415 0.049 18277 13437 1 16 . 1 1 117 117 CYS N N 116 120.777 120.777 117.994 2.783 18277 13438 1 16 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.349 0.395 18277 13439 1 16 . 1 1 117 117 CYS C C 116 174.635 174.635 174.049 0.586 18277 13440 1 16 . 1 1 117 117 CYS CA C 116 60.087 60.087 60.289 -0.202 18277 13441 1 16 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.666 -0.210 18277 13442 1 16 . 1 1 117 117 CYS H H 116 8.256 8.256 7.897 0.359 18277 13443 1 16 . 1 1 118 118 ASP N N 117 119.926 119.926 120.411 -0.485 18277 13444 1 16 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.854 0.045 18277 13445 1 16 . 1 1 118 118 ASP C C 117 176.225 176.225 175.523 0.702 18277 13446 1 16 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.387 0.023 18277 13447 1 16 . 1 1 118 118 ASP CB C 117 40.174 40.174 40.653 -0.479 18277 13448 1 16 . 1 1 118 118 ASP H H 117 8.420 8.420 7.934 0.486 18277 13449 1 16 . 1 1 119 119 THR N N 118 116.185 116.185 115.282 0.903 18277 13450 1 16 . 1 1 119 119 THR HA H 118 4.315 4.315 4.683 -0.368 18277 13451 1 16 . 1 1 119 119 THR C C 118 175.349 175.349 175.510 -0.161 18277 13452 1 16 . 1 1 119 119 THR CA C 118 66.029 66.029 64.605 1.424 18277 13453 1 16 . 1 1 119 119 THR CB C 118 69.654 69.654 69.879 -0.225 18277 13454 1 16 . 1 1 119 119 THR H H 118 7.712 7.712 8.534 -0.822 18277 13455 1 16 . 1 1 120 120 ASP N N 119 120.938 120.938 121.200 -0.262 18277 13456 1 16 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.740 -0.207 18277 13457 1 16 . 1 1 120 120 ASP C C 119 177.991 177.991 177.466 0.525 18277 13458 1 16 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.008 -0.102 18277 13459 1 16 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.173 0.764 18277 13460 1 16 . 1 1 120 120 ASP H H 119 8.730 8.730 8.724 0.006 18277 13461 1 16 . 1 1 121 121 ALA N N 120 122.818 122.818 119.725 3.093 18277 13462 1 16 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.280 -0.102 18277 13463 1 16 . 1 1 121 121 ALA C C 120 178.787 178.787 178.277 0.510 18277 13464 1 16 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.240 0.651 18277 13465 1 16 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.770 -0.299 18277 13466 1 16 . 1 1 121 121 ALA H H 120 8.033 8.033 8.283 -0.250 18277 13467 1 16 . 1 1 122 122 ASN N N 121 116.085 116.085 116.875 -0.790 18277 13468 1 16 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.600 0.034 18277 13469 1 16 . 1 1 122 122 ASN C C 121 176.235 176.235 176.828 -0.593 18277 13470 1 16 . 1 1 122 122 ASN CA C 121 54.496 54.496 55.206 -0.710 18277 13471 1 16 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.319 -0.430 18277 13472 1 16 . 1 1 122 122 ASN H H 121 8.128 8.128 7.963 0.165 18277 13473 1 16 . 1 1 123 123 VAL N N 122 117.803 117.803 118.167 -0.364 18277 13474 1 16 . 1 1 123 123 VAL HA H 122 3.962 3.962 4.243 -0.281 18277 13475 1 16 . 1 1 123 123 VAL C C 122 176.973 176.973 176.483 0.490 18277 13476 1 16 . 1 1 123 123 VAL CA C 122 63.916 63.916 62.975 0.941 18277 13477 1 16 . 1 1 123 123 VAL CB C 122 32.895 32.895 33.257 -0.362 18277 13478 1 16 . 1 1 123 123 VAL H H 122 8.262 8.262 8.267 -0.005 18277 13479 1 16 . 1 1 124 124 GLY N N 123 110.472 110.472 109.505 0.967 18277 13480 1 16 . 1 1 124 124 GLY C C 123 174.107 174.107 175.150 -1.043 18277 13481 1 16 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.638 -1.237 18277 13482 1 16 . 1 1 124 124 GLY H H 123 8.172 8.172 8.006 0.166 18277 13483 1 16 . 1 1 125 125 SER N N 124 113.065 113.065 115.041 -1.976 18277 13484 1 16 . 1 1 125 125 SER HA H 124 4.529 4.529 4.480 0.049 18277 13485 1 16 . 1 1 125 125 SER C C 124 174.664 174.664 174.558 0.106 18277 13486 1 16 . 1 1 125 125 SER CA C 124 58.981 58.981 59.981 -1.000 18277 13487 1 16 . 1 1 125 125 SER CB C 124 64.492 64.492 63.990 0.502 18277 13488 1 16 . 1 1 125 125 SER H H 124 8.139 8.139 8.418 -0.279 18277 13489 1 16 . 1 1 126 126 ASP N N 125 121.312 121.312 117.866 3.446 18277 13490 1 16 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.864 -0.157 18277 13491 1 16 . 1 1 126 126 ASP C C 125 177.029 177.029 175.372 1.657 18277 13492 1 16 . 1 1 126 126 ASP CA C 125 54.232 54.232 53.446 0.786 18277 13493 1 16 . 1 1 126 126 ASP CB C 125 40.878 40.878 43.127 -2.249 18277 13494 1 16 . 1 1 126 126 ASP H H 125 8.146 8.146 8.006 0.140 18277 13495 1 16 . 1 1 127 127 VAL N N 126 123.444 123.444 122.070 1.374 18277 13496 1 16 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.762 0.064 18277 13497 1 16 . 1 1 127 127 VAL C C 126 177.304 177.304 177.213 0.091 18277 13498 1 16 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.565 1.334 18277 13499 1 16 . 1 1 127 127 VAL CB C 126 32.222 32.222 32.133 0.089 18277 13500 1 16 . 1 1 127 127 VAL H H 126 8.474 8.474 8.435 0.039 18277 13501 1 16 . 1 1 128 128 GLU N N 127 120.874 120.874 120.261 0.613 18277 13502 1 16 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.139 -0.206 18277 13503 1 16 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.857 -0.197 18277 13504 1 16 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.599 -0.519 18277 13505 1 16 . 1 1 128 128 GLU H H 127 8.504 8.504 8.377 0.127 18277 13506 1 16 . 1 1 129 129 HIS HA H 128 4.749 4.749 5.210 -0.461 18277 13507 1 16 . 1 1 129 129 HIS C C 128 174.898 174.898 174.873 0.025 18277 13508 1 16 . 1 1 129 129 HIS CA C 128 56.448 56.448 53.339 3.109 18277 13509 1 16 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.532 0.513 18277 13510 1 16 . 1 1 130 130 TYR N N 129 122.615 122.615 123.070 -0.455 18277 13511 1 16 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.280 -0.280 18277 13512 1 16 . 1 1 130 130 TYR C C 129 178.544 178.544 176.379 2.165 18277 13513 1 16 . 1 1 130 130 TYR CA C 129 62.108 62.108 62.465 -0.357 18277 13514 1 16 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.638 0.904 18277 13515 1 16 . 1 1 130 130 TYR H H 129 8.118 8.118 7.892 0.226 18277 13516 1 16 . 1 1 131 131 LEU N N 130 116.037 116.037 118.079 -2.042 18277 13517 1 16 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.238 0.111 18277 13518 1 16 . 1 1 131 131 LEU C C 130 179.368 179.368 179.134 0.234 18277 13519 1 16 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.835 0.981 18277 13520 1 16 . 1 1 131 131 LEU CB C 130 41.369 41.369 41.006 0.363 18277 13521 1 16 . 1 1 131 131 LEU H H 130 9.092 9.092 8.486 0.606 18277 13522 1 16 . 1 1 132 132 THR N N 131 113.629 113.629 109.459 4.170 18277 13523 1 16 . 1 1 132 132 THR HA H 131 4.007 4.007 4.204 -0.197 18277 13524 1 16 . 1 1 132 132 THR C C 131 177.255 177.255 176.238 1.017 18277 13525 1 16 . 1 1 132 132 THR CA C 131 66.505 66.505 64.839 1.666 18277 13526 1 16 . 1 1 132 132 THR CB C 131 68.052 68.052 68.408 -0.356 18277 13527 1 16 . 1 1 132 132 THR H H 131 8.129 8.129 8.098 0.031 18277 13528 1 16 . 1 1 133 133 ARG N N 132 124.720 124.720 121.828 2.892 18277 13529 1 16 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.178 -0.062 18277 13530 1 16 . 1 1 133 133 ARG C C 132 178.921 178.921 176.860 2.061 18277 13531 1 16 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.471 1.566 18277 13532 1 16 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.401 -0.126 18277 13533 1 16 . 1 1 133 133 ARG H H 132 8.187 8.187 8.181 0.006 18277 13534 1 16 . 1 1 134 134 TRP N N 133 120.307 120.307 118.988 1.319 18277 13535 1 16 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.430 -0.203 18277 13536 1 16 . 1 1 134 134 TRP C C 133 177.823 177.823 177.018 0.805 18277 13537 1 16 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.415 3.055 18277 13538 1 16 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.061 -1.306 18277 13539 1 16 . 1 1 134 134 TRP H H 133 9.167 9.167 8.059 1.108 18277 13540 1 16 . 1 1 135 135 ILE N N 134 117.595 117.595 120.538 -2.943 18277 13541 1 16 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.193 0.390 18277 13542 1 16 . 1 1 135 135 ILE C C 134 176.333 176.333 177.161 -0.828 18277 13543 1 16 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.992 -3.284 18277 13544 1 16 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.040 -0.907 18277 13545 1 16 . 1 1 135 135 ILE H H 134 9.000 9.000 7.780 1.220 18277 13546 1 16 . 1 1 136 136 SER N N 135 116.548 116.548 113.438 3.110 18277 13547 1 16 . 1 1 136 136 SER HA H 135 3.931 3.931 3.867 0.064 18277 13548 1 16 . 1 1 136 136 SER C C 135 174.339 174.339 175.353 -1.014 18277 13549 1 16 . 1 1 136 136 SER CA C 135 62.535 62.535 59.772 2.763 18277 13550 1 16 . 1 1 136 136 SER CB C 135 62.820 62.820 62.694 0.126 18277 13551 1 16 . 1 1 136 136 SER H H 135 7.592 7.592 7.615 -0.023 18277 13552 1 16 . 1 1 137 137 LEU N N 136 119.693 119.693 121.639 -1.946 18277 13553 1 16 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.082 0.115 18277 13554 1 16 . 1 1 137 137 LEU C C 136 178.376 178.376 177.754 0.622 18277 13555 1 16 . 1 1 137 137 LEU CA C 136 57.116 57.116 57.284 -0.168 18277 13556 1 16 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.476 0.512 18277 13557 1 16 . 1 1 137 137 LEU H H 136 7.247 7.247 7.588 -0.341 18277 13558 1 16 . 1 1 138 138 TYR N N 137 116.295 116.295 116.293 0.002 18277 13559 1 16 . 1 1 138 138 TYR HA H 137 3.644 3.644 3.850 -0.206 18277 13560 1 16 . 1 1 138 138 TYR C C 137 178.142 178.142 178.230 -0.088 18277 13561 1 16 . 1 1 138 138 TYR CA C 137 61.396 61.396 60.721 0.675 18277 13562 1 16 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.009 -0.102 18277 13563 1 16 . 1 1 138 138 TYR H H 137 8.057 8.057 7.984 0.073 18277 13564 1 16 . 1 1 139 139 ILE N N 138 117.755 117.755 120.797 -3.042 18277 13565 1 16 . 1 1 139 139 ILE HA H 138 3.818 3.818 3.212 0.606 18277 13566 1 16 . 1 1 139 139 ILE C C 138 176.943 176.943 177.224 -0.281 18277 13567 1 16 . 1 1 139 139 ILE CA C 138 61.684 61.684 62.797 -1.113 18277 13568 1 16 . 1 1 139 139 ILE CB C 138 36.768 36.768 36.888 -0.120 18277 13569 1 16 . 1 1 139 139 ILE H H 138 8.371 8.371 8.549 -0.178 18277 13570 1 16 . 1 1 140 140 ARG N N 139 118.103 118.103 118.789 -0.686 18277 13571 1 16 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.094 -0.019 18277 13572 1 16 . 1 1 140 140 ARG C C 139 176.776 176.776 178.216 -1.440 18277 13573 1 16 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.827 -1.298 18277 13574 1 16 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.735 0.106 18277 13575 1 16 . 1 1 140 140 ARG H H 139 6.762 6.762 7.759 -0.997 18277 13576 1 16 . 1 1 141 141 ILE N N 140 117.603 117.603 117.951 -0.348 18277 13577 1 16 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.763 0.008 18277 13578 1 16 . 1 1 141 141 ILE C C 140 176.448 176.448 176.812 -0.364 18277 13579 1 16 . 1 1 141 141 ILE CA C 140 63.370 63.370 64.008 -0.638 18277 13580 1 16 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.709 1.111 18277 13581 1 16 . 1 1 141 141 ILE H H 140 7.056 7.056 8.195 -1.139 18277 13582 1 16 . 1 1 142 142 PHE N N 141 114.969 114.969 117.335 -2.366 18277 13583 1 16 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.599 -0.205 18277 13584 1 16 . 1 1 142 142 PHE C C 141 175.503 175.503 174.834 0.669 18277 13585 1 16 . 1 1 142 142 PHE CA C 141 58.126 58.126 57.968 0.158 18277 13586 1 16 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.326 -0.888 18277 13587 1 16 . 1 1 142 142 PHE H H 141 7.287 7.287 8.047 -0.760 18277 13588 1 16 . 1 1 143 143 ASP N N 142 116.492 116.492 117.592 -1.100 18277 13589 1 16 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.887 -0.142 18277 13590 1 16 . 1 1 143 143 ASP C C 142 175.131 175.131 175.680 -0.549 18277 13591 1 16 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.817 0.196 18277 13592 1 16 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.410 0.586 18277 13593 1 16 . 1 1 143 143 ASP H H 142 7.697 7.697 8.032 -0.335 18277 13594 1 16 . 1 1 144 144 LEU N N 143 126.435 126.435 122.545 3.890 18277 13595 1 16 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.266 -0.080 18277 13596 1 16 . 1 1 144 144 LEU C C 143 177.297 177.297 176.825 0.472 18277 13597 1 16 . 1 1 144 144 LEU CA C 143 56.940 56.940 56.296 0.644 18277 13598 1 16 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.781 0.829 18277 13599 1 16 . 1 1 144 144 LEU H H 143 8.790 8.790 8.664 0.126 18277 13600 1 16 . 1 1 145 145 ASN N N 144 114.711 114.711 115.936 -1.225 18277 13601 1 16 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.690 0.133 18277 13602 1 16 . 1 1 145 145 ASN C C 144 174.879 174.879 174.505 0.374 18277 13603 1 16 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.490 -0.339 18277 13604 1 16 . 1 1 145 145 ASN CB C 144 39.695 39.695 39.432 0.263 18277 13605 1 16 . 1 1 145 145 ASN H H 144 8.569 8.569 7.949 0.620 18277 13606 1 16 . 1 1 146 146 PHE N N 145 121.472 121.472 121.710 -0.238 18277 13607 1 16 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.487 0.022 18277 13608 1 16 . 1 1 146 146 PHE C C 145 173.397 173.397 173.536 -0.139 18277 13609 1 16 . 1 1 146 146 PHE CA C 145 57.895 57.895 56.739 1.156 18277 13610 1 16 . 1 1 146 146 PHE CB C 145 38.987 38.987 37.988 0.999 18277 13611 1 16 . 1 1 146 146 PHE H H 145 7.214 7.214 7.930 -0.716 18277 13612 1 16 . 1 1 147 147 VAL N N 146 128.813 128.813 125.173 3.640 18277 13613 1 16 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.408 -0.336 18277 13614 1 16 . 1 1 147 147 VAL CA C 146 58.698 58.698 58.417 0.281 18277 13615 1 16 . 1 1 147 147 VAL CB C 146 33.469 33.469 32.065 1.404 18277 13616 1 16 . 1 1 147 147 VAL H H 146 7.666 7.666 8.019 -0.353 18277 13617 1 17 . 1 1 2 2 MET N N 1 121.461 121.461 121.058 0.403 18277 13618 1 17 . 1 1 2 2 MET HA H 1 4.581 4.581 4.635 -0.054 18277 13619 1 17 . 1 1 2 2 MET C C 1 175.184 175.184 175.589 -0.405 18277 13620 1 17 . 1 1 2 2 MET CA C 1 55.447 55.447 54.718 0.729 18277 13621 1 17 . 1 1 2 2 MET CB C 1 34.107 34.107 35.017 -0.910 18277 13622 1 17 . 1 1 2 2 MET H H 1 8.431 8.431 7.790 0.641 18277 13623 1 17 . 1 1 3 3 LEU N N 2 123.575 123.575 120.622 2.953 18277 13624 1 17 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.335 0.135 18277 13625 1 17 . 1 1 3 3 LEU C C 2 176.479 176.479 176.568 -0.089 18277 13626 1 17 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.390 -0.846 18277 13627 1 17 . 1 1 3 3 LEU CB C 2 43.200 43.200 42.878 0.322 18277 13628 1 17 . 1 1 3 3 LEU H H 2 8.678 8.678 7.600 1.078 18277 13629 1 17 . 1 1 4 4 THR N N 3 119.326 119.326 112.140 7.186 18277 13630 1 17 . 1 1 4 4 THR HA H 3 4.398 4.398 4.381 0.017 18277 13631 1 17 . 1 1 4 4 THR C C 3 173.920 173.920 175.947 -2.027 18277 13632 1 17 . 1 1 4 4 THR CA C 3 61.025 61.025 61.840 -0.815 18277 13633 1 17 . 1 1 4 4 THR CB C 3 71.090 71.090 70.113 0.977 18277 13634 1 17 . 1 1 4 4 THR H H 3 8.541 8.541 8.349 0.192 18277 13635 1 17 . 1 1 5 5 LEU N N 4 122.107 122.107 120.584 1.523 18277 13636 1 17 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.201 0.087 18277 13637 1 17 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.495 0.597 18277 13638 1 17 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.568 0.238 18277 13639 1 17 . 1 1 5 5 LEU H H 4 8.777 8.777 8.596 0.181 18277 13640 1 17 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.358 -0.012 18277 13641 1 17 . 1 1 6 6 PRO C C 5 179.812 179.812 177.768 2.044 18277 13642 1 17 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.944 1.316 18277 13643 1 17 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.173 -0.114 18277 13644 1 17 . 1 1 7 7 GLU N N 6 117.744 117.744 117.187 0.557 18277 13645 1 17 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.232 -0.206 18277 13646 1 17 . 1 1 7 7 GLU C C 6 178.359 178.359 177.140 1.219 18277 13647 1 17 . 1 1 7 7 GLU CA C 6 59.103 59.103 57.714 1.389 18277 13648 1 17 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.077 0.193 18277 13649 1 17 . 1 1 7 7 GLU H H 6 7.088 7.088 7.791 -0.703 18277 13650 1 17 . 1 1 8 8 TYR N N 7 120.825 120.825 118.332 2.493 18277 13651 1 17 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.391 -0.496 18277 13652 1 17 . 1 1 8 8 TYR C C 7 176.641 176.641 177.258 -0.617 18277 13653 1 17 . 1 1 8 8 TYR CA C 7 61.519 61.519 60.405 1.114 18277 13654 1 17 . 1 1 8 8 TYR CB C 7 37.727 37.727 38.859 -1.132 18277 13655 1 17 . 1 1 8 8 TYR H H 7 8.310 8.310 7.742 0.568 18277 13656 1 17 . 1 1 9 9 ASN N N 8 118.086 118.086 117.843 0.243 18277 13657 1 17 . 1 1 9 9 ASN HA H 8 4.318 4.318 3.930 0.388 18277 13658 1 17 . 1 1 9 9 ASN C C 8 179.060 179.060 177.471 1.589 18277 13659 1 17 . 1 1 9 9 ASN CA C 8 55.774 55.774 54.776 0.998 18277 13660 1 17 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.489 0.820 18277 13661 1 17 . 1 1 9 9 ASN H H 8 8.791 8.791 8.041 0.750 18277 13662 1 17 . 1 1 10 10 GLU N N 9 120.057 120.057 119.609 0.448 18277 13663 1 17 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.157 -0.044 18277 13664 1 17 . 1 1 10 10 GLU C C 9 177.853 177.853 176.980 0.873 18277 13665 1 17 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.573 -0.067 18277 13666 1 17 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.243 0.398 18277 13667 1 17 . 1 1 10 10 GLU H H 9 8.013 8.013 7.832 0.181 18277 13668 1 17 . 1 1 11 11 GLN N N 10 116.468 116.468 116.763 -0.295 18277 13669 1 17 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.620 -0.170 18277 13670 1 17 . 1 1 11 11 GLN C C 10 177.470 177.470 176.238 1.232 18277 13671 1 17 . 1 1 11 11 GLN CA C 10 56.997 56.997 54.906 2.091 18277 13672 1 17 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.179 1.546 18277 13673 1 17 . 1 1 11 11 GLN H H 10 7.488 7.488 7.452 0.036 18277 13674 1 17 . 1 1 12 12 ILE N N 11 124.393 124.393 122.733 1.660 18277 13675 1 17 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.859 -0.031 18277 13676 1 17 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.739 -2.233 18277 13677 1 17 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.745 -1.487 18277 13678 1 17 . 1 1 12 12 ILE H H 11 7.605 7.605 7.287 0.318 18277 13679 1 17 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.532 -0.295 18277 13680 1 17 . 1 1 13 13 PRO C C 12 179.113 179.113 177.304 1.809 18277 13681 1 17 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.553 1.874 18277 13682 1 17 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.729 0.348 18277 13683 1 17 . 1 1 14 14 ASN N N 13 115.499 115.499 118.098 -2.599 18277 13684 1 17 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.698 -0.106 18277 13685 1 17 . 1 1 14 14 ASN C C 13 178.208 178.208 177.164 1.044 18277 13686 1 17 . 1 1 14 14 ASN CA C 13 55.791 55.791 55.036 0.755 18277 13687 1 17 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.379 -0.335 18277 13688 1 17 . 1 1 14 14 ASN H H 13 7.793 7.793 7.792 0.001 18277 13689 1 17 . 1 1 15 15 VAL N N 14 121.205 121.205 121.423 -0.218 18277 13690 1 17 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.741 -0.041 18277 13691 1 17 . 1 1 15 15 VAL C C 14 176.999 176.999 177.742 -0.743 18277 13692 1 17 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.998 -0.454 18277 13693 1 17 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.657 -0.232 18277 13694 1 17 . 1 1 15 15 VAL H H 14 7.704 7.704 7.776 -0.072 18277 13695 1 17 . 1 1 16 16 ARG N N 15 121.067 121.067 118.705 2.362 18277 13696 1 17 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.077 -0.363 18277 13697 1 17 . 1 1 16 16 ARG C C 15 178.150 178.150 178.176 -0.026 18277 13698 1 17 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.620 0.900 18277 13699 1 17 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.475 0.740 18277 13700 1 17 . 1 1 16 16 ARG H H 15 8.855 8.855 7.831 1.024 18277 13701 1 17 . 1 1 17 17 SER N N 16 112.741 112.741 114.948 -2.207 18277 13702 1 17 . 1 1 17 17 SER HA H 16 4.245 4.245 4.225 0.020 18277 13703 1 17 . 1 1 17 17 SER C C 16 177.177 177.177 176.180 0.997 18277 13704 1 17 . 1 1 17 17 SER CA C 16 61.756 61.756 61.440 0.316 18277 13705 1 17 . 1 1 17 17 SER CB C 16 62.785 62.785 63.049 -0.264 18277 13706 1 17 . 1 1 17 17 SER H H 16 7.987 7.987 7.705 0.282 18277 13707 1 17 . 1 1 18 18 LEU N N 17 122.703 122.703 118.190 4.513 18277 13708 1 17 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.479 -0.222 18277 13709 1 17 . 1 1 18 18 LEU C C 17 179.350 179.350 179.098 0.252 18277 13710 1 17 . 1 1 18 18 LEU CA C 17 58.484 58.484 56.898 1.586 18277 13711 1 17 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.029 1.446 18277 13712 1 17 . 1 1 18 18 LEU H H 17 7.728 7.728 7.455 0.274 18277 13713 1 17 . 1 1 19 19 LEU N N 18 116.536 116.536 122.402 -5.866 18277 13714 1 17 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.212 0.019 18277 13715 1 17 . 1 1 19 19 LEU C C 18 178.556 178.556 178.813 -0.257 18277 13716 1 17 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.445 -0.170 18277 13717 1 17 . 1 1 19 19 LEU CB C 18 41.716 41.716 41.062 0.654 18277 13718 1 17 . 1 1 19 19 LEU H H 18 8.367 8.367 8.806 -0.439 18277 13719 1 17 . 1 1 20 20 THR N N 19 111.172 111.172 111.481 -0.309 18277 13720 1 17 . 1 1 20 20 THR HA H 19 4.072 4.072 4.081 -0.009 18277 13721 1 17 . 1 1 20 20 THR C C 19 175.433 175.433 176.001 -0.568 18277 13722 1 17 . 1 1 20 20 THR CA C 19 65.421 65.421 65.341 0.080 18277 13723 1 17 . 1 1 20 20 THR CB C 19 69.541 69.541 68.606 0.935 18277 13724 1 17 . 1 1 20 20 THR H H 19 7.926 7.926 7.889 0.037 18277 13725 1 17 . 1 1 21 21 LYS N N 20 117.696 117.696 119.643 -1.947 18277 13726 1 17 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.320 0.031 18277 13727 1 17 . 1 1 21 21 LYS C C 20 176.229 176.229 177.722 -1.493 18277 13728 1 17 . 1 1 21 21 LYS CA C 20 56.514 56.514 57.303 -0.790 18277 13729 1 17 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.706 -0.357 18277 13730 1 17 . 1 1 21 21 LYS H H 20 7.350 7.350 8.215 -0.865 18277 13731 1 17 . 1 1 22 22 TRP N N 21 123.258 123.258 122.736 0.522 18277 13732 1 17 . 1 1 22 22 TRP HA H 21 4.768 4.768 4.420 0.348 18277 13733 1 17 . 1 1 22 22 TRP C C 21 177.333 177.333 176.808 0.525 18277 13734 1 17 . 1 1 22 22 TRP CA C 21 54.466 54.466 57.197 -2.731 18277 13735 1 17 . 1 1 22 22 TRP CB C 21 28.882 28.882 29.001 -0.119 18277 13736 1 17 . 1 1 22 22 TRP H H 21 7.710 7.710 7.907 -0.197 18277 13737 1 17 . 1 1 23 23 ALA N N 22 133.336 133.336 128.293 5.043 18277 13738 1 17 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.305 -0.159 18277 13739 1 17 . 1 1 23 23 ALA C C 22 177.467 177.467 177.547 -0.080 18277 13740 1 17 . 1 1 23 23 ALA CA C 22 54.855 54.855 52.681 2.174 18277 13741 1 17 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.429 -0.465 18277 13742 1 17 . 1 1 23 23 ALA H H 22 9.658 9.658 8.869 0.789 18277 13743 1 17 . 1 1 24 24 LYS N N 23 111.352 111.352 117.083 -5.731 18277 13744 1 17 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.055 -0.055 18277 13745 1 17 . 1 1 24 24 LYS C C 23 175.467 175.467 175.835 -0.368 18277 13746 1 17 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.719 -1.197 18277 13747 1 17 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.173 1.133 18277 13748 1 17 . 1 1 24 24 LYS H H 23 5.756 5.756 7.798 -2.042 18277 13749 1 17 . 1 1 25 25 VAL N N 24 119.937 119.937 118.197 1.740 18277 13750 1 17 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.631 -0.253 18277 13751 1 17 . 1 1 25 25 VAL C C 24 175.634 175.634 175.628 0.006 18277 13752 1 17 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.539 0.924 18277 13753 1 17 . 1 1 25 25 VAL CB C 24 32.021 32.021 30.053 1.968 18277 13754 1 17 . 1 1 25 25 VAL H H 24 7.179 7.179 7.236 -0.057 18277 13755 1 17 . 1 1 26 26 GLU N N 25 127.218 127.218 128.830 -1.612 18277 13756 1 17 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.242 0.166 18277 13757 1 17 . 1 1 26 26 GLU C C 25 176.448 176.448 176.299 0.149 18277 13758 1 17 . 1 1 26 26 GLU CA C 25 56.976 56.976 57.277 -0.301 18277 13759 1 17 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.268 0.138 18277 13760 1 17 . 1 1 26 26 GLU H H 25 9.017 9.017 8.716 0.301 18277 13761 1 17 . 1 1 27 27 ARG N N 26 117.397 117.397 119.265 -1.868 18277 13762 1 17 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.573 -0.046 18277 13763 1 17 . 1 1 27 27 ARG C C 26 173.508 173.508 174.291 -0.783 18277 13764 1 17 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.634 1.582 18277 13765 1 17 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.733 1.230 18277 13766 1 17 . 1 1 27 27 ARG H H 26 7.521 7.521 7.500 0.021 18277 13767 1 17 . 1 1 28 28 ILE N N 27 123.297 123.297 122.590 0.707 18277 13768 1 17 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.345 0.336 18277 13769 1 17 . 1 1 28 28 ILE C C 27 173.872 173.872 174.716 -0.844 18277 13770 1 17 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.235 0.855 18277 13771 1 17 . 1 1 28 28 ILE CB C 27 40.685 40.685 40.232 0.453 18277 13772 1 17 . 1 1 28 28 ILE H H 27 8.662 8.662 8.431 0.231 18277 13773 1 17 . 1 1 29 29 GLN N N 28 125.810 125.810 127.100 -1.290 18277 13774 1 17 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.640 0.112 18277 13775 1 17 . 1 1 29 29 GLN C C 28 174.329 174.329 173.681 0.648 18277 13776 1 17 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.685 -0.616 18277 13777 1 17 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.015 -0.073 18277 13778 1 17 . 1 1 29 29 GLN H H 28 9.282 9.282 8.691 0.591 18277 13779 1 17 . 1 1 30 30 ASP N N 29 125.001 125.001 123.719 1.282 18277 13780 1 17 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.822 0.064 18277 13781 1 17 . 1 1 30 30 ASP C C 29 175.522 175.522 174.937 0.585 18277 13782 1 17 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.889 2.567 18277 13783 1 17 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.214 -1.891 18277 13784 1 17 . 1 1 30 30 ASP H H 29 8.666 8.666 8.504 0.162 18277 13785 1 17 . 1 1 31 31 VAL N N 30 116.978 116.978 113.815 3.163 18277 13786 1 17 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.597 0.047 18277 13787 1 17 . 1 1 31 31 VAL C C 30 175.448 175.448 174.900 0.548 18277 13788 1 17 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.302 -0.124 18277 13789 1 17 . 1 1 31 31 VAL CB C 30 35.124 35.124 35.169 -0.045 18277 13790 1 17 . 1 1 31 31 VAL H H 30 7.784 7.784 7.869 -0.085 18277 13791 1 17 . 1 1 32 32 GLN N N 31 121.763 121.763 120.713 1.050 18277 13792 1 17 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.207 -0.174 18277 13793 1 17 . 1 1 32 32 GLN C C 31 176.620 176.620 175.209 1.411 18277 13794 1 17 . 1 1 32 32 GLN CA C 31 58.183 58.183 56.751 1.432 18277 13795 1 17 . 1 1 32 32 GLN CB C 31 28.042 28.042 27.929 0.113 18277 13796 1 17 . 1 1 32 32 GLN H H 31 8.515 8.515 8.525 -0.010 18277 13797 1 17 . 1 1 33 33 ASP N N 32 121.199 121.199 119.546 1.653 18277 13798 1 17 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.571 0.404 18277 13799 1 17 . 1 1 33 33 ASP C C 32 176.998 176.998 175.122 1.876 18277 13800 1 17 . 1 1 33 33 ASP CA C 32 55.528 55.528 54.952 0.576 18277 13801 1 17 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.449 1.210 18277 13802 1 17 . 1 1 33 33 ASP H H 32 9.134 9.134 8.390 0.744 18277 13803 1 17 . 1 1 34 34 GLY N N 33 106.691 106.691 102.583 4.108 18277 13804 1 17 . 1 1 34 34 GLY C C 33 171.453 171.453 171.994 -0.541 18277 13805 1 17 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.803 1.562 18277 13806 1 17 . 1 1 34 34 GLY H H 33 8.104 8.104 7.718 0.386 18277 13807 1 17 . 1 1 35 35 LEU N N 34 119.801 119.801 119.625 0.176 18277 13808 1 17 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.652 0.631 18277 13809 1 17 . 1 1 35 35 LEU C C 34 174.568 174.568 173.904 0.664 18277 13810 1 17 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.156 -1.588 18277 13811 1 17 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.231 2.041 18277 13812 1 17 . 1 1 35 35 LEU H H 34 8.491 8.491 8.086 0.405 18277 13813 1 17 . 1 1 36 36 GLN N N 35 121.349 121.349 123.273 -1.924 18277 13814 1 17 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.711 -0.494 18277 13815 1 17 . 1 1 36 36 GLN C C 35 174.530 174.530 174.066 0.464 18277 13816 1 17 . 1 1 36 36 GLN CA C 35 54.764 54.764 53.862 0.902 18277 13817 1 17 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.448 0.032 18277 13818 1 17 . 1 1 36 36 GLN H H 35 8.992 8.992 8.962 0.030 18277 13819 1 17 . 1 1 37 37 LEU N N 36 126.882 126.882 126.292 0.590 18277 13820 1 17 . 1 1 37 37 LEU HA H 36 5.358 5.358 4.885 0.473 18277 13821 1 17 . 1 1 37 37 LEU C C 36 174.519 174.519 175.860 -1.341 18277 13822 1 17 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.458 1.473 18277 13823 1 17 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.873 0.378 18277 13824 1 17 . 1 1 37 37 LEU H H 36 9.826 9.826 8.382 1.444 18277 13825 1 17 . 1 1 38 38 ASP N N 37 122.748 122.748 121.813 0.935 18277 13826 1 17 . 1 1 38 38 ASP HA H 37 5.449 5.449 5.012 0.437 18277 13827 1 17 . 1 1 38 38 ASP C C 37 175.197 175.197 175.350 -0.153 18277 13828 1 17 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.378 0.001 18277 13829 1 17 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.562 0.500 18277 13830 1 17 . 1 1 38 38 ASP H H 37 8.556 8.556 8.292 0.264 18277 13831 1 17 . 1 1 39 39 VAL N N 38 124.835 124.835 123.912 0.923 18277 13832 1 17 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.864 0.277 18277 13833 1 17 . 1 1 39 39 VAL C C 38 174.081 174.081 174.741 -0.660 18277 13834 1 17 . 1 1 39 39 VAL CA C 38 60.442 60.442 62.017 -1.575 18277 13835 1 17 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.123 2.471 18277 13836 1 17 . 1 1 39 39 VAL H H 38 9.495 9.495 8.633 0.862 18277 13837 1 17 . 1 1 40 40 ARG N N 39 131.221 131.221 127.973 3.248 18277 13838 1 17 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.397 0.119 18277 13839 1 17 . 1 1 40 40 ARG C C 39 174.144 174.144 175.777 -1.633 18277 13840 1 17 . 1 1 40 40 ARG CA C 39 53.504 53.504 54.967 -1.463 18277 13841 1 17 . 1 1 40 40 ARG CB C 39 28.119 28.119 29.131 -1.012 18277 13842 1 17 . 1 1 40 40 ARG H H 39 9.046 9.046 8.355 0.691 18277 13843 1 17 . 1 1 41 41 LEU N N 40 129.501 129.501 125.189 4.312 18277 13844 1 17 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.053 -0.027 18277 13845 1 17 . 1 1 41 41 LEU C C 40 176.934 176.934 177.051 -0.117 18277 13846 1 17 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.057 0.806 18277 13847 1 17 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.357 1.391 18277 13848 1 17 . 1 1 41 41 LEU H H 40 7.786 7.786 8.140 -0.354 18277 13849 1 17 . 1 1 42 42 LYS N N 41 112.553 112.553 114.953 -2.400 18277 13850 1 17 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.463 0.231 18277 13851 1 17 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.386 -1.207 18277 13852 1 17 . 1 1 42 42 LYS CB C 41 36.003 36.003 34.872 1.131 18277 13853 1 17 . 1 1 42 42 LYS H H 41 8.313 8.313 7.270 1.043 18277 13854 1 17 . 1 1 43 43 THR HA H 42 3.860 3.860 4.146 -0.286 18277 13855 1 17 . 1 1 43 43 THR C C 42 174.883 174.883 174.410 0.473 18277 13856 1 17 . 1 1 43 43 THR CA C 42 66.494 66.494 64.910 1.584 18277 13857 1 17 . 1 1 43 43 THR CB C 42 68.508 68.508 68.794 -0.286 18277 13858 1 17 . 1 1 44 44 ASP N N 43 114.795 114.795 117.491 -2.696 18277 13859 1 17 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.855 -0.026 18277 13860 1 17 . 1 1 44 44 ASP C C 43 176.791 176.791 174.899 1.892 18277 13861 1 17 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.647 -0.726 18277 13862 1 17 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.419 0.651 18277 13863 1 17 . 1 1 44 44 ASP H H 43 7.759 7.759 8.171 -0.412 18277 13864 1 17 . 1 1 45 45 THR N N 44 115.323 115.323 116.354 -1.031 18277 13865 1 17 . 1 1 45 45 THR HA H 44 5.303 5.303 5.004 0.299 18277 13866 1 17 . 1 1 45 45 THR C C 44 171.480 171.480 172.864 -1.384 18277 13867 1 17 . 1 1 45 45 THR CA C 44 62.732 62.732 61.288 1.444 18277 13868 1 17 . 1 1 45 45 THR CB C 44 72.378 72.378 72.202 0.176 18277 13869 1 17 . 1 1 45 45 THR H H 44 7.551 7.551 8.208 -0.657 18277 13870 1 17 . 1 1 46 46 LEU N N 45 130.323 130.323 126.908 3.415 18277 13871 1 17 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.069 -0.115 18277 13872 1 17 . 1 1 46 46 LEU C C 45 174.048 174.048 173.879 0.169 18277 13873 1 17 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.406 -0.049 18277 13874 1 17 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.067 -0.332 18277 13875 1 17 . 1 1 46 46 LEU H H 45 9.590 9.590 8.816 0.774 18277 13876 1 17 . 1 1 47 47 LEU N N 46 127.468 127.468 127.327 0.141 18277 13877 1 17 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.026 0.124 18277 13878 1 17 . 1 1 47 47 LEU C C 46 173.309 173.309 175.006 -1.697 18277 13879 1 17 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.439 0.148 18277 13880 1 17 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.419 1.703 18277 13881 1 17 . 1 1 47 47 LEU H H 46 9.673 9.673 9.201 0.472 18277 13882 1 17 . 1 1 48 48 GLU N N 47 131.371 131.371 128.579 2.792 18277 13883 1 17 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.858 0.364 18277 13884 1 17 . 1 1 48 48 GLU C C 47 173.970 173.970 174.891 -0.921 18277 13885 1 17 . 1 1 48 48 GLU CA C 47 54.673 54.673 55.590 -0.917 18277 13886 1 17 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.913 0.997 18277 13887 1 17 . 1 1 48 48 GLU H H 47 9.400 9.400 8.432 0.968 18277 13888 1 17 . 1 1 49 49 LEU N N 48 129.742 129.742 128.173 1.569 18277 13889 1 17 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.633 0.354 18277 13890 1 17 . 1 1 49 49 LEU C C 48 174.115 174.115 174.926 -0.811 18277 13891 1 17 . 1 1 49 49 LEU CA C 48 54.673 54.673 53.959 0.714 18277 13892 1 17 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.718 0.920 18277 13893 1 17 . 1 1 49 49 LEU H H 48 9.433 9.433 7.969 1.464 18277 13894 1 17 . 1 1 50 50 HIS N N 49 126.356 126.356 123.823 2.533 18277 13895 1 17 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.504 -0.084 18277 13896 1 17 . 1 1 50 50 HIS C C 49 174.293 174.293 174.867 -0.574 18277 13897 1 17 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.440 2.186 18277 13898 1 17 . 1 1 50 50 HIS CB C 49 33.850 33.850 31.176 2.674 18277 13899 1 17 . 1 1 50 50 HIS H H 49 9.575 9.575 8.655 0.920 18277 13900 1 17 . 1 1 51 51 ILE N N 50 123.679 123.679 126.557 -2.878 18277 13901 1 17 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.585 0.661 18277 13902 1 17 . 1 1 51 51 ILE C C 50 175.021 175.021 173.935 1.086 18277 13903 1 17 . 1 1 51 51 ILE CA C 50 60.592 60.592 60.169 0.423 18277 13904 1 17 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.858 0.913 18277 13905 1 17 . 1 1 51 51 ILE H H 50 8.991 8.991 8.597 0.394 18277 13906 1 17 . 1 1 52 52 TYR N N 51 126.281 126.281 124.921 1.360 18277 13907 1 17 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.368 0.103 18277 13908 1 17 . 1 1 52 52 TYR C C 51 171.145 171.145 173.445 -2.300 18277 13909 1 17 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.470 0.142 18277 13910 1 17 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.712 0.409 18277 13911 1 17 . 1 1 52 52 TYR H H 51 9.189 9.189 7.824 1.365 18277 13912 1 17 . 1 1 53 53 TYR N N 52 120.025 120.025 124.437 -4.412 18277 13913 1 17 . 1 1 53 53 TYR HA H 52 3.807 3.807 3.887 -0.080 18277 13914 1 17 . 1 1 53 53 TYR C C 52 173.874 173.874 174.637 -0.763 18277 13915 1 17 . 1 1 53 53 TYR CA C 52 56.962 56.962 58.626 -1.664 18277 13916 1 17 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.239 0.305 18277 13917 1 17 . 1 1 53 53 TYR H H 52 7.985 7.985 8.626 -0.641 18277 13918 1 17 . 1 1 54 54 ASP N N 53 127.411 127.411 126.897 0.514 18277 13919 1 17 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.866 -0.173 18277 13920 1 17 . 1 1 54 54 ASP C C 53 175.962 175.962 175.650 0.312 18277 13921 1 17 . 1 1 54 54 ASP CA C 53 52.977 52.977 53.257 -0.280 18277 13922 1 17 . 1 1 54 54 ASP CB C 53 43.028 43.028 41.858 1.170 18277 13923 1 17 . 1 1 54 54 ASP H H 53 7.449 7.449 7.970 -0.521 18277 13924 1 17 . 1 1 55 55 HIS N N 54 124.486 124.486 123.700 0.786 18277 13925 1 17 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.280 -0.301 18277 13926 1 17 . 1 1 55 55 HIS C C 54 175.406 175.406 175.020 0.386 18277 13927 1 17 . 1 1 55 55 HIS CA C 54 58.617 58.617 57.670 0.947 18277 13928 1 17 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.860 1.557 18277 13929 1 17 . 1 1 55 55 HIS H H 54 8.512 8.512 8.952 -0.440 18277 13930 1 17 . 1 1 56 56 VAL N N 55 120.625 120.625 118.456 2.169 18277 13931 1 17 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.832 -0.296 18277 13932 1 17 . 1 1 56 56 VAL C C 55 177.379 177.379 176.028 1.351 18277 13933 1 17 . 1 1 56 56 VAL CA C 55 65.174 65.174 64.557 0.617 18277 13934 1 17 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.431 -0.157 18277 13935 1 17 . 1 1 56 56 VAL H H 55 8.397 8.397 7.759 0.638 18277 13936 1 17 . 1 1 57 57 TYR N N 56 115.771 115.771 115.236 0.535 18277 13937 1 17 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.747 -0.481 18277 13938 1 17 . 1 1 57 57 TYR C C 56 174.645 174.645 175.007 -0.362 18277 13939 1 17 . 1 1 57 57 TYR CA C 56 58.726 58.726 58.079 0.647 18277 13940 1 17 . 1 1 57 57 TYR CB C 56 39.566 39.566 40.046 -0.480 18277 13941 1 17 . 1 1 57 57 TYR H H 56 7.641 7.641 7.380 0.261 18277 13942 1 17 . 1 1 58 58 HIS N N 57 116.177 116.177 116.218 -0.041 18277 13943 1 17 . 1 1 58 58 HIS HA H 57 3.747 3.747 3.993 -0.246 18277 13944 1 17 . 1 1 58 58 HIS C C 57 172.860 172.860 173.657 -0.797 18277 13945 1 17 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.312 -0.664 18277 13946 1 17 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.003 -1.701 18277 13947 1 17 . 1 1 58 58 HIS H H 57 7.764 7.764 8.135 -0.371 18277 13948 1 17 . 1 1 59 59 VAL N N 58 104.729 104.729 112.703 -7.974 18277 13949 1 17 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.320 0.380 18277 13950 1 17 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.463 -2.131 18277 13951 1 17 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.978 0.235 18277 13952 1 17 . 1 1 59 59 VAL H H 58 6.310 6.310 7.046 -0.736 18277 13953 1 17 . 1 1 60 60 PRO HA H 59 4.345 4.345 3.995 0.350 18277 13954 1 17 . 1 1 60 60 PRO C C 59 174.254 174.254 175.169 -0.915 18277 13955 1 17 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.845 -0.255 18277 13956 1 17 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.338 -1.562 18277 13957 1 17 . 1 1 61 61 SER N N 60 116.530 116.530 115.449 1.081 18277 13958 1 17 . 1 1 61 61 SER HA H 60 4.899 4.899 4.709 0.190 18277 13959 1 17 . 1 1 61 61 SER CA C 60 57.691 57.691 55.882 1.809 18277 13960 1 17 . 1 1 61 61 SER CB C 60 66.483 66.483 65.334 1.149 18277 13961 1 17 . 1 1 61 61 SER H H 60 8.854 8.854 7.960 0.894 18277 13962 1 17 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.360 1.344 18277 13963 1 17 . 1 1 62 62 ILE C C 61 176.160 176.160 173.604 2.556 18277 13964 1 17 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.268 -1.350 18277 13965 1 17 . 1 1 62 62 ILE CB C 61 42.789 42.789 41.792 0.997 18277 13966 1 17 . 1 1 63 63 LYS N N 62 123.794 123.794 129.268 -5.474 18277 13967 1 17 . 1 1 63 63 LYS HA H 62 5.694 5.694 5.316 0.378 18277 13968 1 17 . 1 1 63 63 LYS C C 62 174.598 174.598 174.555 0.043 18277 13969 1 17 . 1 1 63 63 LYS CA C 62 54.508 54.508 54.436 0.072 18277 13970 1 17 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.498 0.205 18277 13971 1 17 . 1 1 63 63 LYS H H 62 9.011 9.011 8.125 0.886 18277 13972 1 17 . 1 1 64 64 PHE N N 63 116.267 116.267 122.903 -6.636 18277 13973 1 17 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.640 0.673 18277 13974 1 17 . 1 1 64 64 PHE C C 63 173.139 173.139 173.858 -0.719 18277 13975 1 17 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.055 1.538 18277 13976 1 17 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.926 0.015 18277 13977 1 17 . 1 1 64 64 PHE H H 63 9.776 9.776 8.549 1.227 18277 13978 1 17 . 1 1 65 65 ARG N N 64 116.428 116.428 121.332 -4.904 18277 13979 1 17 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.788 -0.007 18277 13980 1 17 . 1 1 65 65 ARG C C 64 173.867 173.867 174.967 -1.100 18277 13981 1 17 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.394 1.363 18277 13982 1 17 . 1 1 65 65 ARG CB C 64 35.068 35.068 32.378 2.690 18277 13983 1 17 . 1 1 65 65 ARG H H 64 9.257 9.257 8.363 0.894 18277 13984 1 17 . 1 1 66 66 LEU N N 65 121.826 121.826 125.046 -3.220 18277 13985 1 17 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.357 1.092 18277 13986 1 17 . 1 1 66 66 LEU C C 65 174.002 174.002 176.783 -2.781 18277 13987 1 17 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.802 -1.976 18277 13988 1 17 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.774 3.898 18277 13989 1 17 . 1 1 66 66 LEU H H 65 9.041 9.041 8.888 0.153 18277 13990 1 17 . 1 1 67 67 TRP N N 66 120.671 120.671 122.937 -2.266 18277 13991 1 17 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.107 0.216 18277 13992 1 17 . 1 1 67 67 TRP C C 66 175.763 175.763 175.407 0.356 18277 13993 1 17 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.470 -1.388 18277 13994 1 17 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.848 -0.677 18277 13995 1 17 . 1 1 67 67 TRP H H 66 9.366 9.366 8.687 0.679 18277 13996 1 17 . 1 1 68 68 SER N N 67 117.273 117.273 117.716 -0.443 18277 13997 1 17 . 1 1 68 68 SER HA H 67 5.297 5.297 5.133 0.164 18277 13998 1 17 . 1 1 68 68 SER C C 67 174.327 174.327 174.464 -0.137 18277 13999 1 17 . 1 1 68 68 SER CA C 67 56.883 56.883 56.059 0.824 18277 14000 1 17 . 1 1 68 68 SER CB C 67 65.230 65.230 63.268 1.962 18277 14001 1 17 . 1 1 68 68 SER H H 67 9.750 9.750 9.395 0.355 18277 14002 1 17 . 1 1 69 69 LEU N N 68 126.002 126.002 130.248 -4.246 18277 14003 1 17 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.514 0.244 18277 14004 1 17 . 1 1 69 69 LEU C C 68 176.022 176.022 176.409 -0.387 18277 14005 1 17 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.895 -1.516 18277 14006 1 17 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.422 0.949 18277 14007 1 17 . 1 1 69 69 LEU H H 68 8.119 8.119 8.016 0.103 18277 14008 1 17 . 1 1 70 70 ASP N N 69 124.828 124.828 125.189 -0.361 18277 14009 1 17 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.945 -0.164 18277 14010 1 17 . 1 1 70 70 ASP C C 69 176.396 176.396 175.793 0.603 18277 14011 1 17 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.312 1.071 18277 14012 1 17 . 1 1 70 70 ASP CB C 69 41.992 41.992 43.116 -1.124 18277 14013 1 17 . 1 1 70 70 ASP H H 69 8.572 8.572 7.775 0.797 18277 14014 1 17 . 1 1 71 71 THR N N 70 114.913 114.913 115.111 -0.198 18277 14015 1 17 . 1 1 71 71 THR HA H 70 4.531 4.531 4.477 0.054 18277 14016 1 17 . 1 1 71 71 THR C C 70 174.451 174.451 175.488 -1.037 18277 14017 1 17 . 1 1 71 71 THR CA C 70 61.742 61.742 60.640 1.102 18277 14018 1 17 . 1 1 71 71 THR CB C 70 69.950 69.950 68.806 1.144 18277 14019 1 17 . 1 1 71 71 THR H H 70 8.403 8.403 8.490 -0.087 18277 14020 1 17 . 1 1 72 72 GLU N N 71 123.605 123.605 122.397 1.208 18277 14021 1 17 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.080 0.161 18277 14022 1 17 . 1 1 72 72 GLU C C 71 176.451 176.451 177.229 -0.778 18277 14023 1 17 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.965 -1.758 18277 14024 1 17 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.494 0.916 18277 14025 1 17 . 1 1 72 72 GLU H H 71 8.542 8.542 8.621 -0.079 18277 14026 1 17 . 1 1 73 73 GLU N N 72 119.641 119.641 116.776 2.865 18277 14027 1 17 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.347 -0.236 18277 14028 1 17 . 1 1 73 73 GLU C C 72 175.577 175.577 175.532 0.045 18277 14029 1 17 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.096 1.001 18277 14030 1 17 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.224 -0.881 18277 14031 1 17 . 1 1 73 73 GLU H H 72 8.503 8.503 8.123 0.380 18277 14032 1 17 . 1 1 74 74 ASP N N 73 117.882 117.882 118.339 -0.457 18277 14033 1 17 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.441 0.130 18277 14034 1 17 . 1 1 74 74 ASP C C 73 176.077 176.077 175.215 0.862 18277 14035 1 17 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.074 -0.580 18277 14036 1 17 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.436 1.502 18277 14037 1 17 . 1 1 74 74 ASP H H 73 8.228 8.228 8.181 0.047 18277 14038 1 17 . 1 1 75 75 ILE N N 74 120.809 120.809 114.072 6.737 18277 14039 1 17 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.379 -0.170 18277 14040 1 17 . 1 1 75 75 ILE C C 74 175.939 175.939 175.701 0.238 18277 14041 1 17 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.758 0.568 18277 14042 1 17 . 1 1 75 75 ILE CB C 74 38.669 38.669 37.637 1.032 18277 14043 1 17 . 1 1 75 75 ILE H H 74 8.089 8.089 7.867 0.222 18277 14044 1 17 . 1 1 76 76 SER N N 75 119.402 119.402 115.907 3.495 18277 14045 1 17 . 1 1 76 76 SER HA H 75 4.652 4.652 4.188 0.464 18277 14046 1 17 . 1 1 76 76 SER C C 75 174.313 174.313 174.353 -0.040 18277 14047 1 17 . 1 1 76 76 SER CA C 75 58.778 58.778 59.222 -0.444 18277 14048 1 17 . 1 1 76 76 SER CB C 75 63.860 63.860 62.300 1.560 18277 14049 1 17 . 1 1 76 76 SER H H 75 8.449 8.449 8.274 0.175 18277 14050 1 17 . 1 1 77 77 SER N N 76 118.644 118.644 114.429 4.215 18277 14051 1 17 . 1 1 77 77 SER HA H 76 4.588 4.588 4.369 0.219 18277 14052 1 17 . 1 1 77 77 SER C C 76 173.094 173.094 173.690 -0.596 18277 14053 1 17 . 1 1 77 77 SER CA C 76 57.772 57.772 58.806 -1.034 18277 14054 1 17 . 1 1 77 77 SER CB C 76 64.461 64.461 64.006 0.455 18277 14055 1 17 . 1 1 77 77 SER H H 76 8.280 8.280 7.689 0.591 18277 14056 1 17 . 1 1 78 78 LEU N N 77 123.896 123.896 114.754 9.142 18277 14057 1 17 . 1 1 78 78 LEU HA H 77 4.998 4.998 4.871 0.127 18277 14058 1 17 . 1 1 78 78 LEU C C 77 177.081 177.081 174.983 2.098 18277 14059 1 17 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.782 0.226 18277 14060 1 17 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.322 -1.301 18277 14061 1 17 . 1 1 78 78 LEU H H 77 7.981 7.981 8.019 -0.038 18277 14062 1 17 . 1 1 79 79 ARG N N 78 123.195 123.195 120.848 2.347 18277 14063 1 17 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.826 0.133 18277 14064 1 17 . 1 1 79 79 ARG C C 78 174.994 174.994 174.659 0.335 18277 14065 1 17 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.154 -0.490 18277 14066 1 17 . 1 1 79 79 ARG CB C 78 33.280 33.280 32.782 0.498 18277 14067 1 17 . 1 1 79 79 ARG H H 78 9.013 9.013 8.108 0.905 18277 14068 1 17 . 1 1 80 80 LEU N N 79 128.388 128.388 127.324 1.064 18277 14069 1 17 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.874 -0.096 18277 14070 1 17 . 1 1 80 80 LEU C C 79 177.216 177.216 175.376 1.840 18277 14071 1 17 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.225 0.824 18277 14072 1 17 . 1 1 80 80 LEU CB C 79 42.285 42.285 41.487 0.798 18277 14073 1 17 . 1 1 80 80 LEU H H 79 8.807 8.807 8.690 0.117 18277 14074 1 17 . 1 1 81 81 LEU N N 80 127.521 127.521 127.707 -0.186 18277 14075 1 17 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.520 0.043 18277 14076 1 17 . 1 1 81 81 LEU C C 80 176.354 176.354 176.571 -0.217 18277 14077 1 17 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.580 -0.419 18277 14078 1 17 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.166 0.244 18277 14079 1 17 . 1 1 81 81 LEU H H 80 8.478 8.478 8.215 0.263 18277 14080 1 17 . 1 1 82 82 THR N N 81 121.108 121.108 118.195 2.913 18277 14081 1 17 . 1 1 82 82 THR HA H 81 4.391 4.391 4.700 -0.309 18277 14082 1 17 . 1 1 82 82 THR C C 81 173.678 173.678 174.036 -0.358 18277 14083 1 17 . 1 1 82 82 THR CA C 81 61.112 61.112 61.746 -0.634 18277 14084 1 17 . 1 1 82 82 THR CB C 81 68.941 68.941 69.311 -0.370 18277 14085 1 17 . 1 1 82 82 THR H H 81 8.735 8.735 8.238 0.497 18277 14086 1 17 . 1 1 83 83 LEU N N 82 125.276 125.276 125.747 -0.471 18277 14087 1 17 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.996 -0.225 18277 14088 1 17 . 1 1 83 83 LEU C C 82 177.192 177.192 176.074 1.118 18277 14089 1 17 . 1 1 83 83 LEU CA C 82 53.414 53.414 52.264 1.150 18277 14090 1 17 . 1 1 83 83 LEU CB C 82 44.525 44.525 44.057 0.468 18277 14091 1 17 . 1 1 83 83 LEU H H 82 7.985 7.985 8.296 -0.311 18277 14092 1 17 . 1 1 84 84 SER N N 83 118.590 118.590 115.179 3.411 18277 14093 1 17 . 1 1 84 84 SER HA H 83 4.591 4.591 4.447 0.144 18277 14094 1 17 . 1 1 84 84 SER C C 83 174.317 174.317 174.738 -0.421 18277 14095 1 17 . 1 1 84 84 SER CA C 83 57.202 57.202 57.905 -0.703 18277 14096 1 17 . 1 1 84 84 SER CB C 83 65.345 65.345 64.284 1.061 18277 14097 1 17 . 1 1 84 84 SER H H 83 9.214 9.214 8.708 0.506 18277 14098 1 17 . 1 1 85 85 ASP N N 84 121.149 121.149 121.068 0.081 18277 14099 1 17 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.356 -0.013 18277 14100 1 17 . 1 1 85 85 ASP C C 84 178.027 178.027 178.126 -0.099 18277 14101 1 17 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.466 1.325 18277 14102 1 17 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.548 1.438 18277 14103 1 17 . 1 1 85 85 ASP H H 84 9.014 9.014 8.846 0.168 18277 14104 1 17 . 1 1 86 86 SER N N 85 111.874 111.874 114.236 -2.362 18277 14105 1 17 . 1 1 86 86 SER HA H 85 4.110 4.110 4.113 -0.003 18277 14106 1 17 . 1 1 86 86 SER C C 85 177.696 177.696 175.684 2.012 18277 14107 1 17 . 1 1 86 86 SER CA C 85 61.560 61.560 61.182 0.378 18277 14108 1 17 . 1 1 86 86 SER CB C 85 62.355 62.355 62.618 -0.263 18277 14109 1 17 . 1 1 86 86 SER H H 85 8.467 8.467 8.511 -0.044 18277 14110 1 17 . 1 1 87 87 GLU N N 86 122.948 122.948 118.483 4.465 18277 14111 1 17 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.241 -0.164 18277 14112 1 17 . 1 1 87 87 GLU C C 86 180.335 180.335 178.322 2.013 18277 14113 1 17 . 1 1 87 87 GLU CA C 86 59.036 59.036 57.419 1.617 18277 14114 1 17 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.870 0.949 18277 14115 1 17 . 1 1 87 87 GLU H H 86 7.660 7.660 7.619 0.041 18277 14116 1 17 . 1 1 88 88 LEU N N 87 122.341 122.341 122.031 0.310 18277 14117 1 17 . 1 1 88 88 LEU HA H 87 3.883 3.883 3.905 -0.022 18277 14118 1 17 . 1 1 88 88 LEU C C 87 178.818 178.818 178.664 0.154 18277 14119 1 17 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.749 0.325 18277 14120 1 17 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.791 0.580 18277 14121 1 17 . 1 1 88 88 LEU H H 87 8.878 8.878 8.067 0.811 18277 14122 1 17 . 1 1 89 89 ARG N N 88 115.874 115.874 118.420 -2.546 18277 14123 1 17 . 1 1 89 89 ARG HA H 88 4.126 4.126 3.860 0.266 18277 14124 1 17 . 1 1 89 89 ARG C C 88 176.552 176.552 178.470 -1.918 18277 14125 1 17 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.424 0.296 18277 14126 1 17 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.115 0.670 18277 14127 1 17 . 1 1 89 89 ARG H H 88 7.956 7.956 8.417 -0.461 18277 14128 1 17 . 1 1 90 90 SER N N 89 112.295 112.295 113.601 -1.306 18277 14129 1 17 . 1 1 90 90 SER HA H 89 4.565 4.565 4.251 0.314 18277 14130 1 17 . 1 1 90 90 SER C C 89 174.817 174.817 176.082 -1.265 18277 14131 1 17 . 1 1 90 90 SER CA C 89 60.043 60.043 61.218 -1.175 18277 14132 1 17 . 1 1 90 90 SER CB C 89 63.858 63.858 63.293 0.565 18277 14133 1 17 . 1 1 90 90 SER H H 89 7.481 7.481 7.698 -0.217 18277 14134 1 17 . 1 1 91 91 ILE N N 90 116.577 116.577 114.064 2.513 18277 14135 1 17 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.232 0.206 18277 14136 1 17 . 1 1 91 91 ILE C C 90 174.636 174.636 175.643 -1.007 18277 14137 1 17 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.599 0.664 18277 14138 1 17 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.708 1.901 18277 14139 1 17 . 1 1 91 91 ILE H H 90 7.372 7.372 7.817 -0.445 18277 14140 1 17 . 1 1 92 92 LEU N N 91 119.723 119.723 119.628 0.095 18277 14141 1 17 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.263 0.378 18277 14142 1 17 . 1 1 92 92 LEU C C 91 175.178 175.178 175.689 -0.511 18277 14143 1 17 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.319 -1.506 18277 14144 1 17 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.870 0.803 18277 14145 1 17 . 1 1 92 92 LEU H H 91 7.900 7.900 7.620 0.280 18277 14146 1 17 . 1 1 93 93 ASN N N 92 119.687 119.687 117.244 2.443 18277 14147 1 17 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.931 0.052 18277 14148 1 17 . 1 1 93 93 ASN C C 92 174.978 174.978 174.724 0.254 18277 14149 1 17 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.475 -1.105 18277 14150 1 17 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.802 -2.071 18277 14151 1 17 . 1 1 93 93 ASN H H 92 8.916 8.916 8.450 0.466 18277 14152 1 17 . 1 1 94 94 LEU N N 93 121.052 121.052 124.019 -2.967 18277 14153 1 17 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.459 -0.513 18277 14154 1 17 . 1 1 94 94 LEU C C 93 177.367 177.367 178.685 -1.318 18277 14155 1 17 . 1 1 94 94 LEU CA C 93 57.051 57.051 57.268 -0.217 18277 14156 1 17 . 1 1 94 94 LEU CB C 93 42.772 42.772 41.607 1.165 18277 14157 1 17 . 1 1 94 94 LEU H H 93 8.172 8.172 8.640 -0.468 18277 14158 1 17 . 1 1 95 95 GLY N N 94 105.340 105.340 108.053 -2.713 18277 14159 1 17 . 1 1 95 95 GLY C C 94 176.133 176.133 175.634 0.499 18277 14160 1 17 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.247 0.102 18277 14161 1 17 . 1 1 95 95 GLY H H 94 8.281 8.281 8.265 0.016 18277 14162 1 17 . 1 1 96 96 THR N N 95 117.040 117.040 117.442 -0.402 18277 14163 1 17 . 1 1 96 96 THR HA H 95 4.242 4.242 4.448 -0.206 18277 14164 1 17 . 1 1 96 96 THR C C 95 175.349 175.349 175.230 0.119 18277 14165 1 17 . 1 1 96 96 THR CA C 95 61.859 61.859 61.285 0.574 18277 14166 1 17 . 1 1 96 96 THR CB C 95 68.399 68.399 69.725 -1.326 18277 14167 1 17 . 1 1 96 96 THR H H 95 8.419 8.419 7.936 0.483 18277 14168 1 17 . 1 1 97 97 PHE N N 96 122.590 122.590 121.787 0.803 18277 14169 1 17 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.514 0.208 18277 14170 1 17 . 1 1 97 97 PHE C C 96 174.704 174.704 175.531 -0.827 18277 14171 1 17 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.342 -0.743 18277 14172 1 17 . 1 1 97 97 PHE CB C 96 39.149 39.149 40.059 -0.910 18277 14173 1 17 . 1 1 97 97 PHE H H 96 8.517 8.517 8.520 -0.003 18277 14174 1 17 . 1 1 98 98 SER N N 97 114.201 114.201 114.193 0.008 18277 14175 1 17 . 1 1 98 98 SER HA H 97 4.859 4.859 4.737 0.122 18277 14176 1 17 . 1 1 98 98 SER C C 97 173.002 173.002 172.936 0.066 18277 14177 1 17 . 1 1 98 98 SER CA C 97 57.346 57.346 57.780 -0.434 18277 14178 1 17 . 1 1 98 98 SER CB C 97 65.739 65.739 66.013 -0.274 18277 14179 1 17 . 1 1 98 98 SER H H 97 9.129 9.129 8.616 0.513 18277 14180 1 17 . 1 1 99 99 VAL N N 98 120.191 120.191 120.682 -0.491 18277 14181 1 17 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.857 0.662 18277 14182 1 17 . 1 1 99 99 VAL C C 98 175.574 175.574 174.427 1.147 18277 14183 1 17 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.670 -1.280 18277 14184 1 17 . 1 1 99 99 VAL CB C 98 35.426 35.426 36.252 -0.826 18277 14185 1 17 . 1 1 99 99 VAL H H 98 8.655 8.655 8.478 0.177 18277 14186 1 17 . 1 1 100 100 THR N N 99 120.623 120.623 120.871 -0.248 18277 14187 1 17 . 1 1 100 100 THR HA H 99 4.729 4.729 4.649 0.080 18277 14188 1 17 . 1 1 100 100 THR C C 99 172.605 172.605 172.185 0.420 18277 14189 1 17 . 1 1 100 100 THR CA C 99 61.114 61.114 61.825 -0.711 18277 14190 1 17 . 1 1 100 100 THR CB C 99 71.850 71.850 71.093 0.757 18277 14191 1 17 . 1 1 100 100 THR H H 99 8.997 8.997 8.843 0.154 18277 14192 1 17 . 1 1 101 101 LEU N N 100 127.613 127.613 128.701 -1.088 18277 14193 1 17 . 1 1 101 101 LEU HA H 100 4.949 4.949 4.776 0.173 18277 14194 1 17 . 1 1 101 101 LEU C C 100 176.666 176.666 175.324 1.342 18277 14195 1 17 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.917 0.772 18277 14196 1 17 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.210 -0.044 18277 14197 1 17 . 1 1 101 101 LEU H H 100 8.766 8.766 8.653 0.113 18277 14198 1 17 . 1 1 102 102 SER N N 101 119.771 119.771 122.608 -2.837 18277 14199 1 17 . 1 1 102 102 SER HA H 101 4.749 4.749 4.907 -0.158 18277 14200 1 17 . 1 1 102 102 SER C C 101 173.477 173.477 172.022 1.455 18277 14201 1 17 . 1 1 102 102 SER CA C 101 57.514 57.514 57.266 0.248 18277 14202 1 17 . 1 1 102 102 SER CB C 101 65.024 65.024 65.637 -0.613 18277 14203 1 17 . 1 1 102 102 SER H H 101 8.926 8.926 9.005 -0.079 18277 14204 1 17 . 1 1 103 103 THR N N 102 117.853 117.853 117.985 -0.132 18277 14205 1 17 . 1 1 103 103 THR HA H 102 4.618 4.618 4.061 0.557 18277 14206 1 17 . 1 1 103 103 THR C C 102 174.020 174.020 173.170 0.850 18277 14207 1 17 . 1 1 103 103 THR CA C 102 61.991 61.991 61.197 0.794 18277 14208 1 17 . 1 1 103 103 THR CB C 102 69.972 69.972 71.409 -1.437 18277 14209 1 17 . 1 1 103 103 THR H H 102 8.409 8.409 8.145 0.264 18277 14210 1 17 . 1 1 104 104 ASP N N 103 125.295 125.295 122.675 2.620 18277 14211 1 17 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.968 -0.260 18277 14212 1 17 . 1 1 104 104 ASP C C 103 176.908 176.908 178.731 -1.823 18277 14213 1 17 . 1 1 104 104 ASP CA C 103 53.559 53.559 52.766 0.793 18277 14214 1 17 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.781 -0.536 18277 14215 1 17 . 1 1 104 104 ASP H H 103 8.598 8.598 8.169 0.429 18277 14216 1 17 . 1 1 105 105 MET N N 104 122.470 122.470 120.323 2.147 18277 14217 1 17 . 1 1 105 105 MET HA H 104 4.270 4.270 4.226 0.044 18277 14218 1 17 . 1 1 105 105 MET C C 104 177.354 177.354 177.096 0.258 18277 14219 1 17 . 1 1 105 105 MET CA C 104 57.300 57.300 58.070 -0.770 18277 14220 1 17 . 1 1 105 105 MET CB C 104 32.108 32.108 32.161 -0.053 18277 14221 1 17 . 1 1 105 105 MET H H 104 8.719 8.719 8.578 0.141 18277 14222 1 17 . 1 1 106 106 GLU N N 105 118.752 118.752 118.800 -0.048 18277 14223 1 17 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.153 0.083 18277 14224 1 17 . 1 1 106 106 GLU C C 105 177.172 177.172 176.777 0.395 18277 14225 1 17 . 1 1 106 106 GLU CA C 105 57.729 57.729 57.688 0.042 18277 14226 1 17 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.796 -0.020 18277 14227 1 17 . 1 1 106 106 GLU H H 105 8.306 8.306 7.980 0.326 18277 14228 1 17 . 1 1 107 107 MET N N 106 116.736 116.736 114.995 1.741 18277 14229 1 17 . 1 1 107 107 MET HA H 106 4.329 4.329 4.132 0.197 18277 14230 1 17 . 1 1 107 107 MET C C 106 176.319 176.319 175.883 0.436 18277 14231 1 17 . 1 1 107 107 MET CA C 106 55.514 55.514 56.414 -0.900 18277 14232 1 17 . 1 1 107 107 MET CB C 106 31.566 31.566 31.497 0.069 18277 14233 1 17 . 1 1 107 107 MET H H 106 8.206 8.206 7.936 0.270 18277 14234 1 17 . 1 1 108 108 LYS N N 107 117.661 117.661 118.292 -0.631 18277 14235 1 17 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.309 -0.223 18277 14236 1 17 . 1 1 108 108 LYS C C 107 176.049 176.049 176.145 -0.096 18277 14237 1 17 . 1 1 108 108 LYS CA C 107 57.100 57.100 57.513 -0.413 18277 14238 1 17 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.868 -1.978 18277 14239 1 17 . 1 1 108 108 LYS H H 107 8.382 8.382 7.965 0.417 18277 14240 1 17 . 1 1 109 109 SER N N 108 113.019 113.019 114.574 -1.555 18277 14241 1 17 . 1 1 109 109 SER HA H 108 4.566 4.566 4.716 -0.150 18277 14242 1 17 . 1 1 109 109 SER C C 108 172.969 172.969 172.311 0.658 18277 14243 1 17 . 1 1 109 109 SER CA C 108 56.997 56.997 56.690 0.307 18277 14244 1 17 . 1 1 109 109 SER CB C 108 65.035 65.035 64.536 0.499 18277 14245 1 17 . 1 1 109 109 SER H H 108 7.892 7.892 7.696 0.196 18277 14246 1 17 . 1 1 110 110 VAL N N 109 121.915 121.915 120.415 1.500 18277 14247 1 17 . 1 1 110 110 VAL HA H 109 4.402 4.402 3.762 0.640 18277 14248 1 17 . 1 1 110 110 VAL C C 109 174.706 174.706 173.906 0.800 18277 14249 1 17 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.653 1.321 18277 14250 1 17 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.337 -2.257 18277 14251 1 17 . 1 1 110 110 VAL H H 109 7.878 7.878 8.189 -0.311 18277 14252 1 17 . 1 1 111 111 TYR N N 110 122.247 122.247 116.092 6.155 18277 14253 1 17 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.497 -0.161 18277 14254 1 17 . 1 1 111 111 TYR C C 110 173.915 173.915 172.615 1.300 18277 14255 1 17 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.937 1.326 18277 14256 1 17 . 1 1 111 111 TYR CB C 110 43.222 43.222 39.379 3.843 18277 14257 1 17 . 1 1 111 111 TYR H H 110 8.317 8.317 7.950 0.367 18277 14258 1 17 . 1 1 112 112 TYR N N 111 117.096 117.096 118.818 -1.722 18277 14259 1 17 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.800 0.069 18277 14260 1 17 . 1 1 112 112 TYR C C 111 175.418 175.418 174.723 0.695 18277 14261 1 17 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.567 0.616 18277 14262 1 17 . 1 1 112 112 TYR CB C 111 38.681 38.681 38.863 -0.182 18277 14263 1 17 . 1 1 112 112 TYR H H 111 8.690 8.690 8.680 0.010 18277 14264 1 17 . 1 1 113 113 TYR N N 112 120.208 120.208 123.232 -3.024 18277 14265 1 17 . 1 1 113 113 TYR HA H 112 4.939 4.939 5.142 -0.203 18277 14266 1 17 . 1 1 113 113 TYR C C 112 176.674 176.674 176.035 0.639 18277 14267 1 17 . 1 1 113 113 TYR CA C 112 57.567 57.567 57.236 0.331 18277 14268 1 17 . 1 1 113 113 TYR CB C 112 39.924 39.924 39.718 0.206 18277 14269 1 17 . 1 1 113 113 TYR H H 112 9.374 9.374 9.468 -0.094 18277 14270 1 17 . 1 1 114 114 ILE N N 113 121.490 121.490 125.099 -3.609 18277 14271 1 17 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.124 0.697 18277 14272 1 17 . 1 1 114 114 ILE C C 113 176.329 176.329 176.139 0.190 18277 14273 1 17 . 1 1 114 114 ILE CA C 113 60.039 60.039 61.809 -1.770 18277 14274 1 17 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.259 -1.294 18277 14275 1 17 . 1 1 114 114 ILE H H 113 8.076 8.076 8.885 -0.809 18277 14276 1 17 . 1 1 115 115 ASN N N 114 129.212 129.212 125.858 3.354 18277 14277 1 17 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.475 0.226 18277 14278 1 17 . 1 1 115 115 ASN C C 114 175.914 175.914 174.472 1.442 18277 14279 1 17 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.959 0.063 18277 14280 1 17 . 1 1 115 115 ASN CB C 114 38.549 38.549 39.013 -0.464 18277 14281 1 17 . 1 1 115 115 ASN H H 114 8.959 8.959 8.193 0.766 18277 14282 1 17 . 1 1 116 116 ASN N N 115 121.613 121.613 121.304 0.309 18277 14283 1 17 . 1 1 116 116 ASN HA H 115 4.869 4.869 4.922 -0.053 18277 14284 1 17 . 1 1 116 116 ASN C C 115 178.040 178.040 174.974 3.066 18277 14285 1 17 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.632 0.148 18277 14286 1 17 . 1 1 116 116 ASN CB C 115 39.096 39.096 39.036 0.060 18277 14287 1 17 . 1 1 116 116 ASN H H 115 8.464 8.464 8.372 0.092 18277 14288 1 17 . 1 1 117 117 CYS N N 116 120.777 120.777 117.656 3.121 18277 14289 1 17 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.760 -0.016 18277 14290 1 17 . 1 1 117 117 CYS C C 116 174.635 174.635 173.541 1.094 18277 14291 1 17 . 1 1 117 117 CYS CA C 116 60.087 60.087 59.404 0.683 18277 14292 1 17 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.842 -0.386 18277 14293 1 17 . 1 1 117 117 CYS H H 116 8.256 8.256 8.127 0.129 18277 14294 1 17 . 1 1 118 118 ASP N N 117 119.926 119.926 117.228 2.698 18277 14295 1 17 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.604 0.295 18277 14296 1 17 . 1 1 118 118 ASP C C 117 176.225 176.225 175.935 0.290 18277 14297 1 17 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.050 0.360 18277 14298 1 17 . 1 1 118 118 ASP CB C 117 40.174 40.174 39.817 0.357 18277 14299 1 17 . 1 1 118 118 ASP H H 117 8.420 8.420 7.715 0.705 18277 14300 1 17 . 1 1 119 119 THR N N 118 116.185 116.185 117.892 -1.707 18277 14301 1 17 . 1 1 119 119 THR HA H 118 4.315 4.315 4.431 -0.116 18277 14302 1 17 . 1 1 119 119 THR C C 118 175.349 175.349 175.266 0.083 18277 14303 1 17 . 1 1 119 119 THR CA C 118 66.029 66.029 65.487 0.542 18277 14304 1 17 . 1 1 119 119 THR CB C 118 69.654 69.654 69.078 0.576 18277 14305 1 17 . 1 1 119 119 THR H H 118 7.712 7.712 8.600 -0.888 18277 14306 1 17 . 1 1 120 120 ASP N N 119 120.938 120.938 121.242 -0.304 18277 14307 1 17 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.991 -0.458 18277 14308 1 17 . 1 1 120 120 ASP C C 119 177.991 177.991 177.268 0.723 18277 14309 1 17 . 1 1 120 120 ASP CA C 119 56.906 56.906 55.671 1.235 18277 14310 1 17 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.429 0.508 18277 14311 1 17 . 1 1 120 120 ASP H H 119 8.730 8.730 8.538 0.192 18277 14312 1 17 . 1 1 121 121 ALA N N 120 122.818 122.818 122.254 0.564 18277 14313 1 17 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.206 -0.028 18277 14314 1 17 . 1 1 121 121 ALA C C 120 178.787 178.787 178.696 0.091 18277 14315 1 17 . 1 1 121 121 ALA CA C 120 53.891 53.891 54.579 -0.688 18277 14316 1 17 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.893 -0.422 18277 14317 1 17 . 1 1 121 121 ALA H H 120 8.033 8.033 7.865 0.168 18277 14318 1 17 . 1 1 122 122 ASN N N 121 116.085 116.085 115.875 0.210 18277 14319 1 17 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.705 -0.071 18277 14320 1 17 . 1 1 122 122 ASN C C 121 176.235 176.235 177.122 -0.887 18277 14321 1 17 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.236 0.260 18277 14322 1 17 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.066 -0.177 18277 14323 1 17 . 1 1 122 122 ASN H H 121 8.128 8.128 7.840 0.288 18277 14324 1 17 . 1 1 123 123 VAL N N 122 117.803 117.803 118.583 -0.780 18277 14325 1 17 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.835 0.127 18277 14326 1 17 . 1 1 123 123 VAL C C 122 176.973 176.973 177.308 -0.335 18277 14327 1 17 . 1 1 123 123 VAL CA C 122 63.916 63.916 63.803 0.113 18277 14328 1 17 . 1 1 123 123 VAL CB C 122 32.895 32.895 31.959 0.936 18277 14329 1 17 . 1 1 123 123 VAL H H 122 8.262 8.262 7.936 0.326 18277 14330 1 17 . 1 1 124 124 GLY N N 123 110.472 110.472 106.978 3.494 18277 14331 1 17 . 1 1 124 124 GLY C C 123 174.107 174.107 175.224 -1.117 18277 14332 1 17 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.519 -1.117 18277 14333 1 17 . 1 1 124 124 GLY H H 123 8.172 8.172 8.404 -0.232 18277 14334 1 17 . 1 1 125 125 SER N N 124 113.065 113.065 114.945 -1.880 18277 14335 1 17 . 1 1 125 125 SER HA H 124 4.529 4.529 4.469 0.060 18277 14336 1 17 . 1 1 125 125 SER C C 124 174.664 174.664 174.565 0.099 18277 14337 1 17 . 1 1 125 125 SER CA C 124 58.981 58.981 60.162 -1.181 18277 14338 1 17 . 1 1 125 125 SER CB C 124 64.492 64.492 63.960 0.532 18277 14339 1 17 . 1 1 125 125 SER H H 124 8.139 8.139 8.446 -0.307 18277 14340 1 17 . 1 1 126 126 ASP N N 125 121.312 121.312 118.671 2.641 18277 14341 1 17 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.928 -0.221 18277 14342 1 17 . 1 1 126 126 ASP C C 125 177.029 177.029 175.963 1.066 18277 14343 1 17 . 1 1 126 126 ASP CA C 125 54.232 54.232 53.754 0.478 18277 14344 1 17 . 1 1 126 126 ASP CB C 125 40.878 40.878 42.858 -1.980 18277 14345 1 17 . 1 1 126 126 ASP H H 125 8.146 8.146 8.195 -0.049 18277 14346 1 17 . 1 1 127 127 VAL N N 126 123.444 123.444 123.104 0.340 18277 14347 1 17 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.627 0.199 18277 14348 1 17 . 1 1 127 127 VAL C C 126 177.304 177.304 177.958 -0.654 18277 14349 1 17 . 1 1 127 127 VAL CA C 126 65.899 65.899 65.842 0.057 18277 14350 1 17 . 1 1 127 127 VAL CB C 126 32.222 32.222 32.177 0.045 18277 14351 1 17 . 1 1 127 127 VAL H H 126 8.474 8.474 8.626 -0.152 18277 14352 1 17 . 1 1 128 128 GLU N N 127 120.874 120.874 120.067 0.807 18277 14353 1 17 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.206 -0.273 18277 14354 1 17 . 1 1 128 128 GLU CA C 127 58.660 58.660 59.180 -0.520 18277 14355 1 17 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.633 -0.553 18277 14356 1 17 . 1 1 128 128 GLU H H 127 8.504 8.504 8.489 0.015 18277 14357 1 17 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.816 -0.067 18277 14358 1 17 . 1 1 129 129 HIS C C 128 174.898 174.898 174.519 0.379 18277 14359 1 17 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.558 1.890 18277 14360 1 17 . 1 1 129 129 HIS CB C 128 29.045 29.045 29.323 -0.278 18277 14361 1 17 . 1 1 130 130 TYR N N 129 122.615 122.615 122.059 0.556 18277 14362 1 17 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.331 -0.331 18277 14363 1 17 . 1 1 130 130 TYR C C 129 178.544 178.544 176.564 1.980 18277 14364 1 17 . 1 1 130 130 TYR CA C 129 62.108 62.108 62.343 -0.235 18277 14365 1 17 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.767 0.775 18277 14366 1 17 . 1 1 130 130 TYR H H 129 8.118 8.118 7.861 0.257 18277 14367 1 17 . 1 1 131 131 LEU N N 130 116.037 116.037 117.393 -1.356 18277 14368 1 17 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.374 -0.025 18277 14369 1 17 . 1 1 131 131 LEU C C 130 179.368 179.368 179.065 0.303 18277 14370 1 17 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.904 0.912 18277 14371 1 17 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.946 0.423 18277 14372 1 17 . 1 1 131 131 LEU H H 130 9.092 9.092 8.581 0.511 18277 14373 1 17 . 1 1 132 132 THR N N 131 113.629 113.629 108.840 4.789 18277 14374 1 17 . 1 1 132 132 THR HA H 131 4.007 4.007 4.202 -0.195 18277 14375 1 17 . 1 1 132 132 THR C C 131 177.255 177.255 176.413 0.842 18277 14376 1 17 . 1 1 132 132 THR CA C 131 66.505 66.505 64.698 1.807 18277 14377 1 17 . 1 1 132 132 THR CB C 131 68.052 68.052 68.172 -0.120 18277 14378 1 17 . 1 1 132 132 THR H H 131 8.129 8.129 7.923 0.206 18277 14379 1 17 . 1 1 133 133 ARG N N 132 124.720 124.720 120.921 3.799 18277 14380 1 17 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.374 -0.258 18277 14381 1 17 . 1 1 133 133 ARG C C 132 178.921 178.921 176.685 2.236 18277 14382 1 17 . 1 1 133 133 ARG CA C 132 60.037 60.037 56.888 3.149 18277 14383 1 17 . 1 1 133 133 ARG CB C 132 30.274 30.274 29.629 0.645 18277 14384 1 17 . 1 1 133 133 ARG H H 132 8.187 8.187 8.071 0.116 18277 14385 1 17 . 1 1 134 134 TRP N N 133 120.307 120.307 119.897 0.410 18277 14386 1 17 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.478 -0.251 18277 14387 1 17 . 1 1 134 134 TRP C C 133 177.823 177.823 177.345 0.478 18277 14388 1 17 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.768 2.702 18277 14389 1 17 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.117 -1.362 18277 14390 1 17 . 1 1 134 134 TRP H H 133 9.167 9.167 8.336 0.831 18277 14391 1 17 . 1 1 135 135 ILE N N 134 117.595 117.595 120.339 -2.744 18277 14392 1 17 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.506 0.077 18277 14393 1 17 . 1 1 135 135 ILE C C 134 176.333 176.333 177.419 -1.086 18277 14394 1 17 . 1 1 135 135 ILE CA C 134 60.708 60.708 64.055 -3.347 18277 14395 1 17 . 1 1 135 135 ILE CB C 134 37.133 37.133 37.939 -0.806 18277 14396 1 17 . 1 1 135 135 ILE H H 134 9.000 9.000 7.794 1.206 18277 14397 1 17 . 1 1 136 136 SER N N 135 116.548 116.548 113.270 3.278 18277 14398 1 17 . 1 1 136 136 SER HA H 135 3.931 3.931 4.148 -0.217 18277 14399 1 17 . 1 1 136 136 SER C C 135 174.339 174.339 175.329 -0.990 18277 14400 1 17 . 1 1 136 136 SER CA C 135 62.535 62.535 59.757 2.778 18277 14401 1 17 . 1 1 136 136 SER CB C 135 62.820 62.820 62.551 0.269 18277 14402 1 17 . 1 1 136 136 SER H H 135 7.592 7.592 7.748 -0.156 18277 14403 1 17 . 1 1 137 137 LEU N N 136 119.693 119.693 121.695 -2.002 18277 14404 1 17 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.342 -0.145 18277 14405 1 17 . 1 1 137 137 LEU C C 136 178.376 178.376 177.137 1.239 18277 14406 1 17 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.999 0.117 18277 14407 1 17 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.426 0.562 18277 14408 1 17 . 1 1 137 137 LEU H H 136 7.247 7.247 7.483 -0.236 18277 14409 1 17 . 1 1 138 138 TYR N N 137 116.295 116.295 117.871 -1.576 18277 14410 1 17 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.060 -0.416 18277 14411 1 17 . 1 1 138 138 TYR C C 137 178.142 178.142 177.269 0.873 18277 14412 1 17 . 1 1 138 138 TYR CA C 137 61.396 61.396 58.587 2.809 18277 14413 1 17 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.072 -0.165 18277 14414 1 17 . 1 1 138 138 TYR H H 137 8.057 8.057 7.916 0.141 18277 14415 1 17 . 1 1 139 139 ILE N N 138 117.755 117.755 120.912 -3.157 18277 14416 1 17 . 1 1 139 139 ILE HA H 138 3.818 3.818 2.171 1.647 18277 14417 1 17 . 1 1 139 139 ILE C C 138 176.943 176.943 177.332 -0.389 18277 14418 1 17 . 1 1 139 139 ILE CA C 138 61.684 61.684 62.778 -1.094 18277 14419 1 17 . 1 1 139 139 ILE CB C 138 36.768 36.768 36.655 0.113 18277 14420 1 17 . 1 1 139 139 ILE H H 138 8.371 8.371 7.572 0.799 18277 14421 1 17 . 1 1 140 140 ARG N N 139 118.103 118.103 117.903 0.200 18277 14422 1 17 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.184 -0.109 18277 14423 1 17 . 1 1 140 140 ARG C C 139 176.776 176.776 177.804 -1.028 18277 14424 1 17 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.787 -1.258 18277 14425 1 17 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.786 0.055 18277 14426 1 17 . 1 1 140 140 ARG H H 139 6.762 6.762 7.826 -1.064 18277 14427 1 17 . 1 1 141 141 ILE N N 140 117.603 117.603 117.517 0.086 18277 14428 1 17 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.937 -0.166 18277 14429 1 17 . 1 1 141 141 ILE C C 140 176.448 176.448 177.082 -0.634 18277 14430 1 17 . 1 1 141 141 ILE CA C 140 63.370 63.370 64.269 -0.899 18277 14431 1 17 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.892 0.927 18277 14432 1 17 . 1 1 141 141 ILE H H 140 7.056 7.056 8.204 -1.148 18277 14433 1 17 . 1 1 142 142 PHE N N 141 114.969 114.969 115.075 -0.106 18277 14434 1 17 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.474 -0.080 18277 14435 1 17 . 1 1 142 142 PHE C C 141 175.503 175.503 175.632 -0.129 18277 14436 1 17 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.644 -0.518 18277 14437 1 17 . 1 1 142 142 PHE CB C 141 40.438 40.438 40.499 -0.061 18277 14438 1 17 . 1 1 142 142 PHE H H 141 7.287 7.287 7.675 -0.388 18277 14439 1 17 . 1 1 143 143 ASP N N 142 116.492 116.492 119.444 -2.952 18277 14440 1 17 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.816 -0.071 18277 14441 1 17 . 1 1 143 143 ASP C C 142 175.131 175.131 175.833 -0.702 18277 14442 1 17 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.607 0.406 18277 14443 1 17 . 1 1 143 143 ASP CB C 142 42.996 42.996 41.898 1.098 18277 14444 1 17 . 1 1 143 143 ASP H H 142 7.697 7.697 8.015 -0.318 18277 14445 1 17 . 1 1 144 144 LEU N N 143 126.435 126.435 126.258 0.177 18277 14446 1 17 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.245 -0.059 18277 14447 1 17 . 1 1 144 144 LEU C C 143 177.297 177.297 176.669 0.628 18277 14448 1 17 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.941 0.999 18277 14449 1 17 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.741 0.868 18277 14450 1 17 . 1 1 144 144 LEU H H 143 8.790 8.790 8.766 0.024 18277 14451 1 17 . 1 1 145 145 ASN N N 144 114.711 114.711 116.623 -1.912 18277 14452 1 17 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.718 0.105 18277 14453 1 17 . 1 1 145 145 ASN C C 144 174.879 174.879 174.957 -0.078 18277 14454 1 17 . 1 1 145 145 ASN CA C 144 53.151 53.151 54.112 -0.961 18277 14455 1 17 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.692 -0.997 18277 14456 1 17 . 1 1 145 145 ASN H H 144 8.569 8.569 8.626 -0.057 18277 14457 1 17 . 1 1 146 146 PHE N N 145 121.472 121.472 122.848 -1.376 18277 14458 1 17 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.448 0.061 18277 14459 1 17 . 1 1 146 146 PHE C C 145 173.397 173.397 173.617 -0.220 18277 14460 1 17 . 1 1 146 146 PHE CA C 145 57.895 57.895 58.000 -0.105 18277 14461 1 17 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.994 -0.007 18277 14462 1 17 . 1 1 146 146 PHE H H 145 7.214 7.214 8.208 -0.994 18277 14463 1 17 . 1 1 147 147 VAL N N 146 128.813 128.813 125.520 3.293 18277 14464 1 17 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.316 -0.244 18277 14465 1 17 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.515 1.183 18277 14466 1 17 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.357 2.112 18277 14467 1 17 . 1 1 147 147 VAL H H 146 7.666 7.666 7.603 0.063 18277 14468 1 18 . 1 1 2 2 MET N N 1 121.461 121.461 117.666 3.795 18277 14469 1 18 . 1 1 2 2 MET HA H 1 4.581 4.581 4.742 -0.161 18277 14470 1 18 . 1 1 2 2 MET C C 1 175.184 175.184 175.808 -0.624 18277 14471 1 18 . 1 1 2 2 MET CA C 1 55.447 55.447 54.990 0.456 18277 14472 1 18 . 1 1 2 2 MET CB C 1 34.107 34.107 33.710 0.397 18277 14473 1 18 . 1 1 2 2 MET H H 1 8.431 8.431 8.319 0.112 18277 14474 1 18 . 1 1 3 3 LEU N N 2 123.575 123.575 124.811 -1.236 18277 14475 1 18 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.505 -0.035 18277 14476 1 18 . 1 1 3 3 LEU C C 2 176.479 176.479 176.855 -0.376 18277 14477 1 18 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.648 -1.104 18277 14478 1 18 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.541 1.659 18277 14479 1 18 . 1 1 3 3 LEU H H 2 8.678 8.678 7.636 1.042 18277 14480 1 18 . 1 1 4 4 THR N N 3 119.326 119.326 116.115 3.211 18277 14481 1 18 . 1 1 4 4 THR HA H 3 4.398 4.398 4.636 -0.238 18277 14482 1 18 . 1 1 4 4 THR C C 3 173.920 173.920 175.547 -1.627 18277 14483 1 18 . 1 1 4 4 THR CA C 3 61.025 61.025 61.776 -0.751 18277 14484 1 18 . 1 1 4 4 THR CB C 3 71.090 71.090 69.967 1.123 18277 14485 1 18 . 1 1 4 4 THR H H 3 8.541 8.541 8.127 0.414 18277 14486 1 18 . 1 1 5 5 LEU N N 4 122.107 122.107 120.691 1.416 18277 14487 1 18 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.574 -0.286 18277 14488 1 18 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.282 0.810 18277 14489 1 18 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.747 0.059 18277 14490 1 18 . 1 1 5 5 LEU H H 4 8.777 8.777 8.689 0.088 18277 14491 1 18 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.392 -0.046 18277 14492 1 18 . 1 1 6 6 PRO C C 5 179.812 179.812 178.070 1.742 18277 14493 1 18 . 1 1 6 6 PRO CA C 5 66.260 66.260 65.071 1.189 18277 14494 1 18 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.069 -0.010 18277 14495 1 18 . 1 1 7 7 GLU N N 6 117.744 117.744 117.307 0.437 18277 14496 1 18 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.247 -0.221 18277 14497 1 18 . 1 1 7 7 GLU C C 6 178.359 178.359 177.163 1.196 18277 14498 1 18 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.472 0.631 18277 14499 1 18 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.318 -0.048 18277 14500 1 18 . 1 1 7 7 GLU H H 6 7.088 7.088 7.876 -0.788 18277 14501 1 18 . 1 1 8 8 TYR N N 7 120.825 120.825 118.063 2.762 18277 14502 1 18 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.437 -0.542 18277 14503 1 18 . 1 1 8 8 TYR C C 7 176.641 176.641 177.234 -0.593 18277 14504 1 18 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.476 2.043 18277 14505 1 18 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.311 -1.584 18277 14506 1 18 . 1 1 8 8 TYR H H 7 8.310 8.310 7.718 0.592 18277 14507 1 18 . 1 1 9 9 ASN N N 8 118.086 118.086 118.748 -0.662 18277 14508 1 18 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.025 0.293 18277 14509 1 18 . 1 1 9 9 ASN C C 8 179.060 179.060 177.736 1.324 18277 14510 1 18 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.742 0.032 18277 14511 1 18 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.987 0.322 18277 14512 1 18 . 1 1 9 9 ASN H H 8 8.791 8.791 8.656 0.135 18277 14513 1 18 . 1 1 10 10 GLU N N 9 120.057 120.057 119.102 0.955 18277 14514 1 18 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.160 -0.047 18277 14515 1 18 . 1 1 10 10 GLU C C 9 177.853 177.853 177.002 0.851 18277 14516 1 18 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.373 0.133 18277 14517 1 18 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.366 0.276 18277 14518 1 18 . 1 1 10 10 GLU H H 9 8.013 8.013 8.372 -0.359 18277 14519 1 18 . 1 1 11 11 GLN N N 10 116.468 116.468 116.656 -0.188 18277 14520 1 18 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.532 -0.082 18277 14521 1 18 . 1 1 11 11 GLN C C 10 177.470 177.470 176.269 1.201 18277 14522 1 18 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.005 1.992 18277 14523 1 18 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.501 1.224 18277 14524 1 18 . 1 1 11 11 GLN H H 10 7.488 7.488 7.491 -0.003 18277 14525 1 18 . 1 1 12 12 ILE N N 11 124.393 124.393 122.125 2.268 18277 14526 1 18 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.745 0.083 18277 14527 1 18 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.674 -2.168 18277 14528 1 18 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.451 -1.193 18277 14529 1 18 . 1 1 12 12 ILE H H 11 7.605 7.605 7.027 0.578 18277 14530 1 18 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.531 -0.294 18277 14531 1 18 . 1 1 13 13 PRO C C 12 179.113 179.113 177.055 2.058 18277 14532 1 18 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.390 2.037 18277 14533 1 18 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.764 0.313 18277 14534 1 18 . 1 1 14 14 ASN N N 13 115.499 115.499 118.152 -2.653 18277 14535 1 18 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.668 -0.076 18277 14536 1 18 . 1 1 14 14 ASN C C 13 178.208 178.208 177.042 1.166 18277 14537 1 18 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.705 1.086 18277 14538 1 18 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.575 -0.531 18277 14539 1 18 . 1 1 14 14 ASN H H 13 7.793 7.793 7.974 -0.181 18277 14540 1 18 . 1 1 15 15 VAL N N 14 121.205 121.205 121.666 -0.461 18277 14541 1 18 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.768 -0.068 18277 14542 1 18 . 1 1 15 15 VAL C C 14 176.999 176.999 177.489 -0.490 18277 14543 1 18 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.929 -0.385 18277 14544 1 18 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.949 -0.524 18277 14545 1 18 . 1 1 15 15 VAL H H 14 7.704 7.704 7.523 0.181 18277 14546 1 18 . 1 1 16 16 ARG N N 15 121.067 121.067 118.569 2.498 18277 14547 1 18 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.061 -0.347 18277 14548 1 18 . 1 1 16 16 ARG C C 15 178.150 178.150 177.499 0.651 18277 14549 1 18 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.277 1.243 18277 14550 1 18 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.895 0.320 18277 14551 1 18 . 1 1 16 16 ARG H H 15 8.855 8.855 7.731 1.124 18277 14552 1 18 . 1 1 17 17 SER N N 16 112.741 112.741 114.578 -1.837 18277 14553 1 18 . 1 1 17 17 SER HA H 16 4.245 4.245 4.414 -0.169 18277 14554 1 18 . 1 1 17 17 SER C C 16 177.177 177.177 176.630 0.547 18277 14555 1 18 . 1 1 17 17 SER CA C 16 61.756 61.756 60.575 1.181 18277 14556 1 18 . 1 1 17 17 SER CB C 16 62.785 62.785 63.262 -0.477 18277 14557 1 18 . 1 1 17 17 SER H H 16 7.987 7.987 7.949 0.038 18277 14558 1 18 . 1 1 18 18 LEU N N 17 122.703 122.703 121.981 0.722 18277 14559 1 18 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.505 -0.248 18277 14560 1 18 . 1 1 18 18 LEU C C 17 179.350 179.350 178.540 0.810 18277 14561 1 18 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.231 1.253 18277 14562 1 18 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.324 1.151 18277 14563 1 18 . 1 1 18 18 LEU H H 17 7.728 7.728 7.606 0.122 18277 14564 1 18 . 1 1 19 19 LEU N N 18 116.536 116.536 120.479 -3.943 18277 14565 1 18 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.236 -0.005 18277 14566 1 18 . 1 1 19 19 LEU C C 18 178.556 178.556 179.092 -0.536 18277 14567 1 18 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.774 -0.499 18277 14568 1 18 . 1 1 19 19 LEU CB C 18 41.716 41.716 40.323 1.393 18277 14569 1 18 . 1 1 19 19 LEU H H 18 8.367 8.367 8.816 -0.449 18277 14570 1 18 . 1 1 20 20 THR N N 19 111.172 111.172 109.920 1.252 18277 14571 1 18 . 1 1 20 20 THR HA H 19 4.072 4.072 4.129 -0.057 18277 14572 1 18 . 1 1 20 20 THR C C 19 175.433 175.433 175.790 -0.357 18277 14573 1 18 . 1 1 20 20 THR CA C 19 65.421 65.421 64.948 0.473 18277 14574 1 18 . 1 1 20 20 THR CB C 19 69.541 69.541 68.532 1.009 18277 14575 1 18 . 1 1 20 20 THR H H 19 7.926 7.926 7.663 0.263 18277 14576 1 18 . 1 1 21 21 LYS N N 20 117.696 117.696 119.081 -1.385 18277 14577 1 18 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.463 -0.112 18277 14578 1 18 . 1 1 21 21 LYS C C 20 176.229 176.229 177.171 -0.942 18277 14579 1 18 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.168 0.346 18277 14580 1 18 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.686 -0.337 18277 14581 1 18 . 1 1 21 21 LYS H H 20 7.350 7.350 8.300 -0.950 18277 14582 1 18 . 1 1 22 22 TRP N N 21 123.258 123.258 122.958 0.300 18277 14583 1 18 . 1 1 22 22 TRP HA H 21 4.768 4.768 4.373 0.395 18277 14584 1 18 . 1 1 22 22 TRP C C 21 177.333 177.333 176.027 1.306 18277 14585 1 18 . 1 1 22 22 TRP CA C 21 54.466 54.466 57.286 -2.820 18277 14586 1 18 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.844 0.038 18277 14587 1 18 . 1 1 22 22 TRP H H 21 7.710 7.710 7.990 -0.280 18277 14588 1 18 . 1 1 23 23 ALA N N 22 133.336 133.336 127.805 5.531 18277 14589 1 18 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.297 -0.151 18277 14590 1 18 . 1 1 23 23 ALA C C 22 177.467 177.467 177.356 0.111 18277 14591 1 18 . 1 1 23 23 ALA CA C 22 54.855 54.855 52.744 2.111 18277 14592 1 18 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.184 -0.220 18277 14593 1 18 . 1 1 23 23 ALA H H 22 9.658 9.658 8.494 1.164 18277 14594 1 18 . 1 1 24 24 LYS N N 23 111.352 111.352 116.706 -5.354 18277 14595 1 18 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.003 -0.003 18277 14596 1 18 . 1 1 24 24 LYS C C 23 175.467 175.467 175.560 -0.093 18277 14597 1 18 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.389 -0.867 18277 14598 1 18 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.009 1.297 18277 14599 1 18 . 1 1 24 24 LYS H H 23 5.756 5.756 7.726 -1.970 18277 14600 1 18 . 1 1 25 25 VAL N N 24 119.937 119.937 118.177 1.760 18277 14601 1 18 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.777 -0.399 18277 14602 1 18 . 1 1 25 25 VAL C C 24 175.634 175.634 176.025 -0.391 18277 14603 1 18 . 1 1 25 25 VAL CA C 24 64.463 64.463 62.030 2.433 18277 14604 1 18 . 1 1 25 25 VAL CB C 24 32.021 32.021 30.439 1.581 18277 14605 1 18 . 1 1 25 25 VAL H H 24 7.179 7.179 7.122 0.057 18277 14606 1 18 . 1 1 26 26 GLU N N 25 127.218 127.218 126.493 0.725 18277 14607 1 18 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.389 0.019 18277 14608 1 18 . 1 1 26 26 GLU C C 25 176.448 176.448 176.147 0.301 18277 14609 1 18 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.276 0.700 18277 14610 1 18 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.157 0.249 18277 14611 1 18 . 1 1 26 26 GLU H H 25 9.017 9.017 8.449 0.568 18277 14612 1 18 . 1 1 27 27 ARG N N 26 117.397 117.397 120.443 -3.046 18277 14613 1 18 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.529 -0.002 18277 14614 1 18 . 1 1 27 27 ARG C C 26 173.508 173.508 174.133 -0.625 18277 14615 1 18 . 1 1 27 27 ARG CA C 26 56.216 56.216 55.355 0.861 18277 14616 1 18 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.659 1.304 18277 14617 1 18 . 1 1 27 27 ARG H H 26 7.521 7.521 7.390 0.131 18277 14618 1 18 . 1 1 28 28 ILE N N 27 123.297 123.297 124.935 -1.638 18277 14619 1 18 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.348 0.333 18277 14620 1 18 . 1 1 28 28 ILE C C 27 173.872 173.872 174.800 -0.928 18277 14621 1 18 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.504 0.586 18277 14622 1 18 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.386 2.299 18277 14623 1 18 . 1 1 28 28 ILE H H 27 8.662 8.662 8.575 0.087 18277 14624 1 18 . 1 1 29 29 GLN N N 28 125.810 125.810 128.509 -2.699 18277 14625 1 18 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.740 0.012 18277 14626 1 18 . 1 1 29 29 GLN C C 28 174.329 174.329 173.773 0.556 18277 14627 1 18 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.060 0.009 18277 14628 1 18 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.289 -0.347 18277 14629 1 18 . 1 1 29 29 GLN H H 28 9.282 9.282 8.551 0.731 18277 14630 1 18 . 1 1 30 30 ASP N N 29 125.001 125.001 121.069 3.932 18277 14631 1 18 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.832 0.054 18277 14632 1 18 . 1 1 30 30 ASP C C 29 175.522 175.522 175.077 0.445 18277 14633 1 18 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.637 2.819 18277 14634 1 18 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.609 -2.286 18277 14635 1 18 . 1 1 30 30 ASP H H 29 8.666 8.666 8.481 0.185 18277 14636 1 18 . 1 1 31 31 VAL N N 30 116.978 116.978 113.343 3.635 18277 14637 1 18 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.540 0.104 18277 14638 1 18 . 1 1 31 31 VAL C C 30 175.448 175.448 174.515 0.933 18277 14639 1 18 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.400 -0.222 18277 14640 1 18 . 1 1 31 31 VAL CB C 30 35.124 35.124 35.391 -0.267 18277 14641 1 18 . 1 1 31 31 VAL H H 30 7.784 7.784 8.641 -0.857 18277 14642 1 18 . 1 1 32 32 GLN N N 31 121.763 121.763 123.403 -1.640 18277 14643 1 18 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.076 -0.043 18277 14644 1 18 . 1 1 32 32 GLN C C 31 176.620 176.620 175.394 1.226 18277 14645 1 18 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.773 0.410 18277 14646 1 18 . 1 1 32 32 GLN CB C 31 28.042 28.042 27.941 0.101 18277 14647 1 18 . 1 1 32 32 GLN H H 31 8.515 8.515 8.673 -0.158 18277 14648 1 18 . 1 1 33 33 ASP N N 32 121.199 121.199 120.232 0.967 18277 14649 1 18 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.488 0.487 18277 14650 1 18 . 1 1 33 33 ASP C C 32 176.998 176.998 174.872 2.126 18277 14651 1 18 . 1 1 33 33 ASP CA C 32 55.528 55.528 55.056 0.471 18277 14652 1 18 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.792 0.867 18277 14653 1 18 . 1 1 33 33 ASP H H 32 9.134 9.134 8.363 0.771 18277 14654 1 18 . 1 1 34 34 GLY N N 33 106.691 106.691 102.497 4.194 18277 14655 1 18 . 1 1 34 34 GLY C C 33 171.453 171.453 171.802 -0.349 18277 14656 1 18 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.835 1.530 18277 14657 1 18 . 1 1 34 34 GLY H H 33 8.104 8.104 8.040 0.064 18277 14658 1 18 . 1 1 35 35 LEU N N 34 119.801 119.801 119.688 0.113 18277 14659 1 18 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.668 0.615 18277 14660 1 18 . 1 1 35 35 LEU C C 34 174.568 174.568 174.073 0.495 18277 14661 1 18 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.224 -1.656 18277 14662 1 18 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.216 2.056 18277 14663 1 18 . 1 1 35 35 LEU H H 34 8.491 8.491 8.076 0.415 18277 14664 1 18 . 1 1 36 36 GLN N N 35 121.349 121.349 122.610 -1.261 18277 14665 1 18 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.576 -0.359 18277 14666 1 18 . 1 1 36 36 GLN C C 35 174.530 174.530 174.135 0.395 18277 14667 1 18 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.000 0.764 18277 14668 1 18 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.469 0.011 18277 14669 1 18 . 1 1 36 36 GLN H H 35 8.992 8.992 8.772 0.220 18277 14670 1 18 . 1 1 37 37 LEU N N 36 126.882 126.882 127.252 -0.370 18277 14671 1 18 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.080 0.278 18277 14672 1 18 . 1 1 37 37 LEU C C 36 174.519 174.519 175.892 -1.373 18277 14673 1 18 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.447 1.484 18277 14674 1 18 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.721 0.530 18277 14675 1 18 . 1 1 37 37 LEU H H 36 9.826 9.826 8.396 1.430 18277 14676 1 18 . 1 1 38 38 ASP N N 37 122.748 122.748 122.949 -0.201 18277 14677 1 18 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.857 0.592 18277 14678 1 18 . 1 1 38 38 ASP C C 37 175.197 175.197 175.303 -0.106 18277 14679 1 18 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.455 -0.076 18277 14680 1 18 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.010 1.052 18277 14681 1 18 . 1 1 38 38 ASP H H 37 8.556 8.556 8.235 0.321 18277 14682 1 18 . 1 1 39 39 VAL N N 38 124.835 124.835 124.990 -0.155 18277 14683 1 18 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.791 0.350 18277 14684 1 18 . 1 1 39 39 VAL C C 38 174.081 174.081 175.535 -1.454 18277 14685 1 18 . 1 1 39 39 VAL CA C 38 60.442 60.442 62.029 -1.587 18277 14686 1 18 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.072 2.522 18277 14687 1 18 . 1 1 39 39 VAL H H 38 9.495 9.495 8.699 0.796 18277 14688 1 18 . 1 1 40 40 ARG N N 39 131.221 131.221 126.916 4.305 18277 14689 1 18 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.464 0.052 18277 14690 1 18 . 1 1 40 40 ARG C C 39 174.144 174.144 175.626 -1.482 18277 14691 1 18 . 1 1 40 40 ARG CA C 39 53.504 53.504 54.380 -0.876 18277 14692 1 18 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.910 -0.791 18277 14693 1 18 . 1 1 40 40 ARG H H 39 9.046 9.046 8.162 0.884 18277 14694 1 18 . 1 1 41 41 LEU N N 40 129.501 129.501 124.459 5.042 18277 14695 1 18 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.122 -0.096 18277 14696 1 18 . 1 1 41 41 LEU C C 40 176.934 176.934 177.306 -0.372 18277 14697 1 18 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.139 0.723 18277 14698 1 18 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.556 1.192 18277 14699 1 18 . 1 1 41 41 LEU H H 40 7.786 7.786 8.193 -0.407 18277 14700 1 18 . 1 1 42 42 LYS N N 41 112.553 112.553 116.374 -3.821 18277 14701 1 18 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.515 0.179 18277 14702 1 18 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.254 -1.075 18277 14703 1 18 . 1 1 42 42 LYS CB C 41 36.003 36.003 34.823 1.180 18277 14704 1 18 . 1 1 42 42 LYS H H 41 8.313 8.313 7.617 0.696 18277 14705 1 18 . 1 1 43 43 THR HA H 42 3.860 3.860 4.079 -0.219 18277 14706 1 18 . 1 1 43 43 THR C C 42 174.883 174.883 174.438 0.445 18277 14707 1 18 . 1 1 43 43 THR CA C 42 66.494 66.494 65.274 1.220 18277 14708 1 18 . 1 1 43 43 THR CB C 42 68.508 68.508 68.891 -0.383 18277 14709 1 18 . 1 1 44 44 ASP N N 43 114.795 114.795 118.524 -3.729 18277 14710 1 18 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.850 -0.021 18277 14711 1 18 . 1 1 44 44 ASP C C 43 176.791 176.791 174.560 2.231 18277 14712 1 18 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.422 -0.501 18277 14713 1 18 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.512 0.558 18277 14714 1 18 . 1 1 44 44 ASP H H 43 7.759 7.759 8.116 -0.357 18277 14715 1 18 . 1 1 45 45 THR N N 44 115.323 115.323 116.537 -1.214 18277 14716 1 18 . 1 1 45 45 THR HA H 44 5.303 5.303 4.883 0.420 18277 14717 1 18 . 1 1 45 45 THR C C 44 171.480 171.480 172.865 -1.385 18277 14718 1 18 . 1 1 45 45 THR CA C 44 62.732 62.732 61.606 1.126 18277 14719 1 18 . 1 1 45 45 THR CB C 44 72.378 72.378 71.957 0.421 18277 14720 1 18 . 1 1 45 45 THR H H 44 7.551 7.551 8.388 -0.837 18277 14721 1 18 . 1 1 46 46 LEU N N 45 130.323 130.323 128.099 2.224 18277 14722 1 18 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.199 -0.245 18277 14723 1 18 . 1 1 46 46 LEU C C 45 174.048 174.048 173.952 0.096 18277 14724 1 18 . 1 1 46 46 LEU CA C 45 53.357 53.357 52.850 0.507 18277 14725 1 18 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.107 -0.372 18277 14726 1 18 . 1 1 46 46 LEU H H 45 9.590 9.590 8.829 0.761 18277 14727 1 18 . 1 1 47 47 LEU N N 46 127.468 127.468 126.023 1.445 18277 14728 1 18 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.479 -0.329 18277 14729 1 18 . 1 1 47 47 LEU C C 46 173.309 173.309 174.883 -1.574 18277 14730 1 18 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.443 0.144 18277 14731 1 18 . 1 1 47 47 LEU CB C 46 45.122 45.122 44.408 0.714 18277 14732 1 18 . 1 1 47 47 LEU H H 46 9.673 9.673 9.189 0.484 18277 14733 1 18 . 1 1 48 48 GLU N N 47 131.371 131.371 127.266 4.105 18277 14734 1 18 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.839 0.383 18277 14735 1 18 . 1 1 48 48 GLU C C 47 173.970 173.970 175.248 -1.278 18277 14736 1 18 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.368 -1.695 18277 14737 1 18 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.934 0.976 18277 14738 1 18 . 1 1 48 48 GLU H H 47 9.400 9.400 8.721 0.679 18277 14739 1 18 . 1 1 49 49 LEU N N 48 129.742 129.742 126.867 2.875 18277 14740 1 18 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.508 0.479 18277 14741 1 18 . 1 1 49 49 LEU C C 48 174.115 174.115 174.668 -0.553 18277 14742 1 18 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.088 0.585 18277 14743 1 18 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.933 0.705 18277 14744 1 18 . 1 1 49 49 LEU H H 48 9.433 9.433 8.165 1.268 18277 14745 1 18 . 1 1 50 50 HIS N N 49 126.356 126.356 121.758 4.598 18277 14746 1 18 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.735 -0.315 18277 14747 1 18 . 1 1 50 50 HIS C C 49 174.293 174.293 174.330 -0.037 18277 14748 1 18 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.591 2.035 18277 14749 1 18 . 1 1 50 50 HIS CB C 49 33.850 33.850 32.836 1.014 18277 14750 1 18 . 1 1 50 50 HIS H H 49 9.575 9.575 8.439 1.136 18277 14751 1 18 . 1 1 51 51 ILE N N 50 123.679 123.679 124.285 -0.606 18277 14752 1 18 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.497 0.749 18277 14753 1 18 . 1 1 51 51 ILE C C 50 175.021 175.021 173.590 1.431 18277 14754 1 18 . 1 1 51 51 ILE CA C 50 60.592 60.592 58.974 1.618 18277 14755 1 18 . 1 1 51 51 ILE CB C 50 40.771 40.771 40.516 0.256 18277 14756 1 18 . 1 1 51 51 ILE H H 50 8.991 8.991 8.587 0.404 18277 14757 1 18 . 1 1 52 52 TYR N N 51 126.281 126.281 124.587 1.694 18277 14758 1 18 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.235 0.236 18277 14759 1 18 . 1 1 52 52 TYR C C 51 171.145 171.145 173.416 -2.271 18277 14760 1 18 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.473 0.139 18277 14761 1 18 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.465 0.656 18277 14762 1 18 . 1 1 52 52 TYR H H 51 9.189 9.189 7.488 1.701 18277 14763 1 18 . 1 1 53 53 TYR N N 52 120.025 120.025 125.532 -5.507 18277 14764 1 18 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.085 -0.278 18277 14765 1 18 . 1 1 53 53 TYR C C 52 173.874 173.874 174.159 -0.285 18277 14766 1 18 . 1 1 53 53 TYR CA C 52 56.962 56.962 58.169 -1.207 18277 14767 1 18 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.121 0.423 18277 14768 1 18 . 1 1 53 53 TYR H H 52 7.985 7.985 8.617 -0.632 18277 14769 1 18 . 1 1 54 54 ASP N N 53 127.411 127.411 122.706 4.705 18277 14770 1 18 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.716 -0.023 18277 14771 1 18 . 1 1 54 54 ASP C C 53 175.962 175.962 175.392 0.570 18277 14772 1 18 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.636 1.341 18277 14773 1 18 . 1 1 54 54 ASP CB C 53 43.028 43.028 43.560 -0.532 18277 14774 1 18 . 1 1 54 54 ASP H H 53 7.449 7.449 7.802 -0.353 18277 14775 1 18 . 1 1 55 55 HIS N N 54 124.486 124.486 122.799 1.687 18277 14776 1 18 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.361 -0.382 18277 14777 1 18 . 1 1 55 55 HIS C C 54 175.406 175.406 174.857 0.549 18277 14778 1 18 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.524 2.093 18277 14779 1 18 . 1 1 55 55 HIS CB C 54 31.417 31.417 28.970 2.447 18277 14780 1 18 . 1 1 55 55 HIS H H 54 8.512 8.512 8.561 -0.049 18277 14781 1 18 . 1 1 56 56 VAL N N 55 120.625 120.625 120.136 0.489 18277 14782 1 18 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.713 -0.177 18277 14783 1 18 . 1 1 56 56 VAL C C 55 177.379 177.379 176.465 0.914 18277 14784 1 18 . 1 1 56 56 VAL CA C 55 65.174 65.174 65.924 -0.750 18277 14785 1 18 . 1 1 56 56 VAL CB C 55 31.274 31.274 32.269 -0.995 18277 14786 1 18 . 1 1 56 56 VAL H H 55 8.397 8.397 7.836 0.561 18277 14787 1 18 . 1 1 57 57 TYR N N 56 115.771 115.771 116.534 -0.763 18277 14788 1 18 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.600 -0.334 18277 14789 1 18 . 1 1 57 57 TYR C C 56 174.645 174.645 174.609 0.036 18277 14790 1 18 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.691 1.035 18277 14791 1 18 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.233 0.333 18277 14792 1 18 . 1 1 57 57 TYR H H 56 7.641 7.641 7.597 0.044 18277 14793 1 18 . 1 1 58 58 HIS N N 57 116.177 116.177 115.148 1.029 18277 14794 1 18 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.103 -0.356 18277 14795 1 18 . 1 1 58 58 HIS C C 57 172.860 172.860 173.902 -1.042 18277 14796 1 18 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.480 -0.833 18277 14797 1 18 . 1 1 58 58 HIS CB C 57 25.302 25.302 26.698 -1.396 18277 14798 1 18 . 1 1 58 58 HIS H H 57 7.764 7.764 7.422 0.342 18277 14799 1 18 . 1 1 59 59 VAL N N 58 104.729 104.729 112.500 -7.771 18277 14800 1 18 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.382 0.318 18277 14801 1 18 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.399 -2.067 18277 14802 1 18 . 1 1 59 59 VAL CB C 58 34.213 34.213 34.077 0.136 18277 14803 1 18 . 1 1 59 59 VAL H H 58 6.310 6.310 7.217 -0.907 18277 14804 1 18 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.105 0.240 18277 14805 1 18 . 1 1 60 60 PRO C C 59 174.254 174.254 175.338 -1.084 18277 14806 1 18 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.586 0.004 18277 14807 1 18 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.187 -1.411 18277 14808 1 18 . 1 1 61 61 SER N N 60 116.530 116.530 113.827 2.703 18277 14809 1 18 . 1 1 61 61 SER HA H 60 4.899 4.899 4.581 0.318 18277 14810 1 18 . 1 1 61 61 SER CA C 60 57.691 57.691 56.667 1.024 18277 14811 1 18 . 1 1 61 61 SER CB C 60 66.483 66.483 66.072 0.411 18277 14812 1 18 . 1 1 61 61 SER H H 60 8.854 8.854 7.518 1.336 18277 14813 1 18 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.594 1.110 18277 14814 1 18 . 1 1 62 62 ILE C C 61 176.160 176.160 173.914 2.246 18277 14815 1 18 . 1 1 62 62 ILE CA C 61 59.918 59.918 60.970 -1.052 18277 14816 1 18 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.507 0.283 18277 14817 1 18 . 1 1 63 63 LYS N N 62 123.794 123.794 126.296 -2.502 18277 14818 1 18 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.509 1.185 18277 14819 1 18 . 1 1 63 63 LYS C C 62 174.598 174.598 174.180 0.418 18277 14820 1 18 . 1 1 63 63 LYS CA C 62 54.508 54.508 56.052 -1.544 18277 14821 1 18 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.268 0.435 18277 14822 1 18 . 1 1 63 63 LYS H H 62 9.011 9.011 8.633 0.378 18277 14823 1 18 . 1 1 64 64 PHE N N 63 116.267 116.267 122.660 -6.393 18277 14824 1 18 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.300 1.013 18277 14825 1 18 . 1 1 64 64 PHE C C 63 173.139 173.139 173.535 -0.396 18277 14826 1 18 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.346 1.247 18277 14827 1 18 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.581 0.360 18277 14828 1 18 . 1 1 64 64 PHE H H 63 9.776 9.776 7.552 2.224 18277 14829 1 18 . 1 1 65 65 ARG N N 64 116.428 116.428 117.729 -1.301 18277 14830 1 18 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.875 -0.094 18277 14831 1 18 . 1 1 65 65 ARG C C 64 173.867 173.867 174.404 -0.537 18277 14832 1 18 . 1 1 65 65 ARG CA C 64 55.757 55.757 55.030 0.727 18277 14833 1 18 . 1 1 65 65 ARG CB C 64 35.068 35.068 34.659 0.409 18277 14834 1 18 . 1 1 65 65 ARG H H 64 9.257 9.257 8.749 0.508 18277 14835 1 18 . 1 1 66 66 LEU N N 65 121.826 121.826 121.744 0.082 18277 14836 1 18 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.727 0.722 18277 14837 1 18 . 1 1 66 66 LEU C C 65 174.002 174.002 176.371 -2.369 18277 14838 1 18 . 1 1 66 66 LEU CA C 65 53.826 53.826 54.555 -0.729 18277 14839 1 18 . 1 1 66 66 LEU CB C 65 46.672 46.672 43.803 2.869 18277 14840 1 18 . 1 1 66 66 LEU H H 65 9.041 9.041 8.681 0.360 18277 14841 1 18 . 1 1 67 67 TRP N N 66 120.671 120.671 122.196 -1.525 18277 14842 1 18 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.187 0.136 18277 14843 1 18 . 1 1 67 67 TRP C C 66 175.763 175.763 175.337 0.426 18277 14844 1 18 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.589 -1.507 18277 14845 1 18 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.671 -0.500 18277 14846 1 18 . 1 1 67 67 TRP H H 66 9.366 9.366 9.175 0.191 18277 14847 1 18 . 1 1 68 68 SER N N 67 117.273 117.273 117.720 -0.447 18277 14848 1 18 . 1 1 68 68 SER HA H 67 5.297 5.297 5.042 0.255 18277 14849 1 18 . 1 1 68 68 SER C C 67 174.327 174.327 174.473 -0.146 18277 14850 1 18 . 1 1 68 68 SER CA C 67 56.883 56.883 56.829 0.054 18277 14851 1 18 . 1 1 68 68 SER CB C 67 65.230 65.230 63.665 1.565 18277 14852 1 18 . 1 1 68 68 SER H H 67 9.750 9.750 9.430 0.320 18277 14853 1 18 . 1 1 69 69 LEU N N 68 126.002 126.002 130.404 -4.402 18277 14854 1 18 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.488 0.270 18277 14855 1 18 . 1 1 69 69 LEU C C 68 176.022 176.022 176.348 -0.326 18277 14856 1 18 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.843 -1.464 18277 14857 1 18 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.513 0.858 18277 14858 1 18 . 1 1 69 69 LEU H H 68 8.119 8.119 8.160 -0.041 18277 14859 1 18 . 1 1 70 70 ASP N N 69 124.828 124.828 126.499 -1.671 18277 14860 1 18 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.929 -0.148 18277 14861 1 18 . 1 1 70 70 ASP C C 69 176.396 176.396 175.927 0.469 18277 14862 1 18 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.578 0.805 18277 14863 1 18 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.685 -0.693 18277 14864 1 18 . 1 1 70 70 ASP H H 69 8.572 8.572 7.964 0.608 18277 14865 1 18 . 1 1 71 71 THR N N 70 114.913 114.913 115.649 -0.736 18277 14866 1 18 . 1 1 71 71 THR HA H 70 4.531 4.531 4.517 0.014 18277 14867 1 18 . 1 1 71 71 THR C C 70 174.451 174.451 174.599 -0.148 18277 14868 1 18 . 1 1 71 71 THR CA C 70 61.742 61.742 62.238 -0.496 18277 14869 1 18 . 1 1 71 71 THR CB C 70 69.950 69.950 68.661 1.289 18277 14870 1 18 . 1 1 71 71 THR H H 70 8.403 8.403 8.520 -0.117 18277 14871 1 18 . 1 1 72 72 GLU N N 71 123.605 123.605 121.716 1.889 18277 14872 1 18 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.069 0.172 18277 14873 1 18 . 1 1 72 72 GLU C C 71 176.451 176.451 177.300 -0.849 18277 14874 1 18 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.953 -1.746 18277 14875 1 18 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.681 0.729 18277 14876 1 18 . 1 1 72 72 GLU H H 71 8.542 8.542 8.596 -0.054 18277 14877 1 18 . 1 1 73 73 GLU N N 72 119.641 119.641 117.160 2.481 18277 14878 1 18 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.381 -0.270 18277 14879 1 18 . 1 1 73 73 GLU C C 72 175.577 175.577 175.497 0.080 18277 14880 1 18 . 1 1 73 73 GLU CA C 72 57.097 57.097 55.880 1.217 18277 14881 1 18 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.057 -0.714 18277 14882 1 18 . 1 1 73 73 GLU H H 72 8.503 8.503 8.111 0.392 18277 14883 1 18 . 1 1 74 74 ASP N N 73 117.882 117.882 119.489 -1.607 18277 14884 1 18 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.375 0.196 18277 14885 1 18 . 1 1 74 74 ASP C C 73 176.077 176.077 175.536 0.541 18277 14886 1 18 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.097 -0.603 18277 14887 1 18 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.502 1.435 18277 14888 1 18 . 1 1 74 74 ASP H H 73 8.228 8.228 8.407 -0.179 18277 14889 1 18 . 1 1 75 75 ILE N N 74 120.809 120.809 112.494 8.315 18277 14890 1 18 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.293 -0.084 18277 14891 1 18 . 1 1 75 75 ILE C C 74 175.939 175.939 175.892 0.047 18277 14892 1 18 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.345 0.981 18277 14893 1 18 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.489 0.180 18277 14894 1 18 . 1 1 75 75 ILE H H 74 8.089 8.089 8.093 -0.004 18277 14895 1 18 . 1 1 76 76 SER N N 75 119.402 119.402 115.223 4.179 18277 14896 1 18 . 1 1 76 76 SER HA H 75 4.652 4.652 4.214 0.438 18277 14897 1 18 . 1 1 76 76 SER C C 75 174.313 174.313 174.250 0.063 18277 14898 1 18 . 1 1 76 76 SER CA C 75 58.778 58.778 58.789 -0.011 18277 14899 1 18 . 1 1 76 76 SER CB C 75 63.860 63.860 63.068 0.792 18277 14900 1 18 . 1 1 76 76 SER H H 75 8.449 8.449 8.272 0.177 18277 14901 1 18 . 1 1 77 77 SER N N 76 118.644 118.644 115.541 3.103 18277 14902 1 18 . 1 1 77 77 SER HA H 76 4.588 4.588 4.533 0.055 18277 14903 1 18 . 1 1 77 77 SER C C 76 173.094 173.094 173.237 -0.143 18277 14904 1 18 . 1 1 77 77 SER CA C 76 57.772 57.772 58.151 -0.379 18277 14905 1 18 . 1 1 77 77 SER CB C 76 64.461 64.461 64.242 0.219 18277 14906 1 18 . 1 1 77 77 SER H H 76 8.280 8.280 7.708 0.572 18277 14907 1 18 . 1 1 78 78 LEU N N 77 123.896 123.896 114.747 9.149 18277 14908 1 18 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.023 -0.025 18277 14909 1 18 . 1 1 78 78 LEU C C 77 177.081 177.081 175.249 1.832 18277 14910 1 18 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.575 0.432 18277 14911 1 18 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.298 -1.277 18277 14912 1 18 . 1 1 78 78 LEU H H 77 7.981 7.981 8.190 -0.209 18277 14913 1 18 . 1 1 79 79 ARG N N 78 123.195 123.195 120.801 2.394 18277 14914 1 18 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.823 0.136 18277 14915 1 18 . 1 1 79 79 ARG C C 78 174.994 174.994 174.564 0.430 18277 14916 1 18 . 1 1 79 79 ARG CA C 78 54.664 54.664 54.950 -0.286 18277 14917 1 18 . 1 1 79 79 ARG CB C 78 33.280 33.280 32.928 0.352 18277 14918 1 18 . 1 1 79 79 ARG H H 78 9.013 9.013 8.154 0.859 18277 14919 1 18 . 1 1 80 80 LEU N N 79 128.388 128.388 126.725 1.663 18277 14920 1 18 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.963 -0.185 18277 14921 1 18 . 1 1 80 80 LEU C C 79 177.216 177.216 175.437 1.779 18277 14922 1 18 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.341 0.708 18277 14923 1 18 . 1 1 80 80 LEU CB C 79 42.285 42.285 41.751 0.534 18277 14924 1 18 . 1 1 80 80 LEU H H 79 8.807 8.807 8.551 0.256 18277 14925 1 18 . 1 1 81 81 LEU N N 80 127.521 127.521 127.077 0.444 18277 14926 1 18 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.522 0.041 18277 14927 1 18 . 1 1 81 81 LEU C C 80 176.354 176.354 176.207 0.147 18277 14928 1 18 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.156 0.005 18277 14929 1 18 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.469 -0.059 18277 14930 1 18 . 1 1 81 81 LEU H H 80 8.478 8.478 8.299 0.179 18277 14931 1 18 . 1 1 82 82 THR N N 81 121.108 121.108 115.864 5.244 18277 14932 1 18 . 1 1 82 82 THR HA H 81 4.391 4.391 4.623 -0.232 18277 14933 1 18 . 1 1 82 82 THR C C 81 173.678 173.678 173.624 0.054 18277 14934 1 18 . 1 1 82 82 THR CA C 81 61.112 61.112 62.095 -0.983 18277 14935 1 18 . 1 1 82 82 THR CB C 81 68.941 68.941 68.945 -0.004 18277 14936 1 18 . 1 1 82 82 THR H H 81 8.735 8.735 8.111 0.624 18277 14937 1 18 . 1 1 83 83 LEU N N 82 125.276 125.276 123.443 1.833 18277 14938 1 18 . 1 1 83 83 LEU HA H 82 4.771 4.771 5.019 -0.248 18277 14939 1 18 . 1 1 83 83 LEU C C 82 177.192 177.192 175.217 1.975 18277 14940 1 18 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.043 0.371 18277 14941 1 18 . 1 1 83 83 LEU CB C 82 44.525 44.525 44.897 -0.372 18277 14942 1 18 . 1 1 83 83 LEU H H 82 7.985 7.985 8.070 -0.085 18277 14943 1 18 . 1 1 84 84 SER N N 83 118.590 118.590 115.226 3.364 18277 14944 1 18 . 1 1 84 84 SER HA H 83 4.591 4.591 4.381 0.210 18277 14945 1 18 . 1 1 84 84 SER C C 83 174.317 174.317 175.217 -0.900 18277 14946 1 18 . 1 1 84 84 SER CA C 83 57.202 57.202 58.788 -1.586 18277 14947 1 18 . 1 1 84 84 SER CB C 83 65.345 65.345 63.893 1.452 18277 14948 1 18 . 1 1 84 84 SER H H 83 9.214 9.214 8.602 0.612 18277 14949 1 18 . 1 1 85 85 ASP N N 84 121.149 121.149 119.679 1.470 18277 14950 1 18 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.532 -0.189 18277 14951 1 18 . 1 1 85 85 ASP C C 84 178.027 178.027 178.068 -0.041 18277 14952 1 18 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.058 1.733 18277 14953 1 18 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.311 1.675 18277 14954 1 18 . 1 1 85 85 ASP H H 84 9.014 9.014 8.763 0.251 18277 14955 1 18 . 1 1 86 86 SER N N 85 111.874 111.874 115.523 -3.649 18277 14956 1 18 . 1 1 86 86 SER HA H 85 4.110 4.110 4.244 -0.134 18277 14957 1 18 . 1 1 86 86 SER C C 85 177.696 177.696 175.899 1.797 18277 14958 1 18 . 1 1 86 86 SER CA C 85 61.560 61.560 60.954 0.606 18277 14959 1 18 . 1 1 86 86 SER CB C 85 62.355 62.355 62.918 -0.563 18277 14960 1 18 . 1 1 86 86 SER H H 85 8.467 8.467 8.300 0.167 18277 14961 1 18 . 1 1 87 87 GLU N N 86 122.948 122.948 118.925 4.023 18277 14962 1 18 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.231 -0.154 18277 14963 1 18 . 1 1 87 87 GLU C C 86 180.335 180.335 177.916 2.419 18277 14964 1 18 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.514 0.522 18277 14965 1 18 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.644 1.175 18277 14966 1 18 . 1 1 87 87 GLU H H 86 7.660 7.660 8.281 -0.621 18277 14967 1 18 . 1 1 88 88 LEU N N 87 122.341 122.341 120.828 1.513 18277 14968 1 18 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.278 -0.395 18277 14969 1 18 . 1 1 88 88 LEU C C 87 178.818 178.818 178.132 0.686 18277 14970 1 18 . 1 1 88 88 LEU CA C 87 58.074 58.074 56.741 1.333 18277 14971 1 18 . 1 1 88 88 LEU CB C 87 42.371 42.371 42.155 0.216 18277 14972 1 18 . 1 1 88 88 LEU H H 87 8.878 8.878 7.469 1.409 18277 14973 1 18 . 1 1 89 89 ARG N N 88 115.874 115.874 119.708 -3.834 18277 14974 1 18 . 1 1 89 89 ARG HA H 88 4.126 4.126 3.862 0.264 18277 14975 1 18 . 1 1 89 89 ARG C C 88 176.552 176.552 177.561 -1.009 18277 14976 1 18 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.589 0.131 18277 14977 1 18 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.467 0.318 18277 14978 1 18 . 1 1 89 89 ARG H H 88 7.956 7.956 8.405 -0.449 18277 14979 1 18 . 1 1 90 90 SER N N 89 112.295 112.295 113.214 -0.919 18277 14980 1 18 . 1 1 90 90 SER HA H 89 4.565 4.565 4.239 0.326 18277 14981 1 18 . 1 1 90 90 SER C C 89 174.817 174.817 175.769 -0.952 18277 14982 1 18 . 1 1 90 90 SER CA C 89 60.043 60.043 60.624 -0.581 18277 14983 1 18 . 1 1 90 90 SER CB C 89 63.858 63.858 63.242 0.616 18277 14984 1 18 . 1 1 90 90 SER H H 89 7.481 7.481 7.591 -0.110 18277 14985 1 18 . 1 1 91 91 ILE N N 90 116.577 116.577 114.176 2.401 18277 14986 1 18 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.301 0.137 18277 14987 1 18 . 1 1 91 91 ILE C C 90 174.636 174.636 175.567 -0.931 18277 14988 1 18 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.502 0.760 18277 14989 1 18 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.949 1.660 18277 14990 1 18 . 1 1 91 91 ILE H H 90 7.372 7.372 7.809 -0.437 18277 14991 1 18 . 1 1 92 92 LEU N N 91 119.723 119.723 120.082 -0.359 18277 14992 1 18 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.308 0.333 18277 14993 1 18 . 1 1 92 92 LEU C C 91 175.178 175.178 175.422 -0.244 18277 14994 1 18 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.136 -1.323 18277 14995 1 18 . 1 1 92 92 LEU CB C 91 43.673 43.673 43.529 0.144 18277 14996 1 18 . 1 1 92 92 LEU H H 91 7.900 7.900 7.452 0.448 18277 14997 1 18 . 1 1 93 93 ASN N N 92 119.687 119.687 116.849 2.838 18277 14998 1 18 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.882 0.101 18277 14999 1 18 . 1 1 93 93 ASN C C 92 174.978 174.978 174.469 0.509 18277 15000 1 18 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.374 -1.004 18277 15001 1 18 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.792 -2.061 18277 15002 1 18 . 1 1 93 93 ASN H H 92 8.916 8.916 8.374 0.542 18277 15003 1 18 . 1 1 94 94 LEU N N 93 121.052 121.052 124.328 -3.276 18277 15004 1 18 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.377 -0.431 18277 15005 1 18 . 1 1 94 94 LEU C C 93 177.367 177.367 178.566 -1.199 18277 15006 1 18 . 1 1 94 94 LEU CA C 93 57.051 57.051 57.010 0.041 18277 15007 1 18 . 1 1 94 94 LEU CB C 93 42.772 42.772 41.555 1.217 18277 15008 1 18 . 1 1 94 94 LEU H H 93 8.172 8.172 8.615 -0.443 18277 15009 1 18 . 1 1 95 95 GLY N N 94 105.340 105.340 107.912 -2.572 18277 15010 1 18 . 1 1 95 95 GLY C C 94 176.133 176.133 175.670 0.463 18277 15011 1 18 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.313 0.036 18277 15012 1 18 . 1 1 95 95 GLY H H 94 8.281 8.281 8.222 0.059 18277 15013 1 18 . 1 1 96 96 THR N N 95 117.040 117.040 117.719 -0.679 18277 15014 1 18 . 1 1 96 96 THR HA H 95 4.242 4.242 4.503 -0.261 18277 15015 1 18 . 1 1 96 96 THR C C 95 175.349 175.349 175.461 -0.112 18277 15016 1 18 . 1 1 96 96 THR CA C 95 61.859 61.859 61.318 0.541 18277 15017 1 18 . 1 1 96 96 THR CB C 95 68.399 68.399 69.920 -1.521 18277 15018 1 18 . 1 1 96 96 THR H H 95 8.419 8.419 8.024 0.395 18277 15019 1 18 . 1 1 97 97 PHE N N 96 122.590 122.590 122.075 0.515 18277 15020 1 18 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.491 0.231 18277 15021 1 18 . 1 1 97 97 PHE C C 96 174.704 174.704 175.597 -0.893 18277 15022 1 18 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.511 -0.912 18277 15023 1 18 . 1 1 97 97 PHE CB C 96 39.149 39.149 40.070 -0.921 18277 15024 1 18 . 1 1 97 97 PHE H H 96 8.517 8.517 8.770 -0.253 18277 15025 1 18 . 1 1 98 98 SER N N 97 114.201 114.201 113.099 1.102 18277 15026 1 18 . 1 1 98 98 SER HA H 97 4.859 4.859 4.903 -0.044 18277 15027 1 18 . 1 1 98 98 SER C C 97 173.002 173.002 172.631 0.371 18277 15028 1 18 . 1 1 98 98 SER CA C 97 57.346 57.346 58.100 -0.754 18277 15029 1 18 . 1 1 98 98 SER CB C 97 65.739 65.739 66.380 -0.642 18277 15030 1 18 . 1 1 98 98 SER H H 97 9.129 9.129 8.637 0.492 18277 15031 1 18 . 1 1 99 99 VAL N N 98 120.191 120.191 118.421 1.770 18277 15032 1 18 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.536 0.983 18277 15033 1 18 . 1 1 99 99 VAL C C 98 175.574 175.574 174.145 1.429 18277 15034 1 18 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.385 -0.995 18277 15035 1 18 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.355 0.071 18277 15036 1 18 . 1 1 99 99 VAL H H 98 8.655 8.655 8.491 0.164 18277 15037 1 18 . 1 1 100 100 THR N N 99 120.623 120.623 119.812 0.811 18277 15038 1 18 . 1 1 100 100 THR HA H 99 4.729 4.729 4.725 0.004 18277 15039 1 18 . 1 1 100 100 THR C C 99 172.605 172.605 172.218 0.387 18277 15040 1 18 . 1 1 100 100 THR CA C 99 61.114 61.114 61.502 -0.388 18277 15041 1 18 . 1 1 100 100 THR CB C 99 71.850 71.850 71.105 0.745 18277 15042 1 18 . 1 1 100 100 THR H H 99 8.997 8.997 8.732 0.265 18277 15043 1 18 . 1 1 101 101 LEU N N 100 127.613 127.613 128.791 -1.178 18277 15044 1 18 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.202 -0.253 18277 15045 1 18 . 1 1 101 101 LEU C C 100 176.666 176.666 176.099 0.567 18277 15046 1 18 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.707 0.982 18277 15047 1 18 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.483 -0.317 18277 15048 1 18 . 1 1 101 101 LEU H H 100 8.766 8.766 8.510 0.256 18277 15049 1 18 . 1 1 102 102 SER N N 101 119.771 119.771 122.748 -2.977 18277 15050 1 18 . 1 1 102 102 SER HA H 101 4.749 4.749 4.809 -0.060 18277 15051 1 18 . 1 1 102 102 SER C C 101 173.477 173.477 173.310 0.167 18277 15052 1 18 . 1 1 102 102 SER CA C 101 57.514 57.514 56.270 1.244 18277 15053 1 18 . 1 1 102 102 SER CB C 101 65.024 65.024 65.039 -0.015 18277 15054 1 18 . 1 1 102 102 SER H H 101 8.926 8.926 8.867 0.059 18277 15055 1 18 . 1 1 103 103 THR N N 102 117.853 117.853 122.892 -5.039 18277 15056 1 18 . 1 1 103 103 THR HA H 102 4.618 4.618 4.930 -0.312 18277 15057 1 18 . 1 1 103 103 THR C C 102 174.020 174.020 174.084 -0.064 18277 15058 1 18 . 1 1 103 103 THR CA C 102 61.991 61.991 61.650 0.341 18277 15059 1 18 . 1 1 103 103 THR CB C 102 69.972 69.972 71.389 -1.417 18277 15060 1 18 . 1 1 103 103 THR H H 102 8.409 8.409 8.560 -0.151 18277 15061 1 18 . 1 1 104 104 ASP N N 103 125.295 125.295 122.587 2.708 18277 15062 1 18 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.866 -0.158 18277 15063 1 18 . 1 1 104 104 ASP C C 103 176.908 176.908 178.209 -1.301 18277 15064 1 18 . 1 1 104 104 ASP CA C 103 53.559 53.559 53.319 0.240 18277 15065 1 18 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.637 -0.392 18277 15066 1 18 . 1 1 104 104 ASP H H 103 8.598 8.598 8.429 0.169 18277 15067 1 18 . 1 1 105 105 MET N N 104 122.470 122.470 121.880 0.590 18277 15068 1 18 . 1 1 105 105 MET HA H 104 4.270 4.270 4.280 -0.010 18277 15069 1 18 . 1 1 105 105 MET C C 104 177.354 177.354 176.566 0.788 18277 15070 1 18 . 1 1 105 105 MET CA C 104 57.300 57.300 57.634 -0.334 18277 15071 1 18 . 1 1 105 105 MET CB C 104 32.108 32.108 32.626 -0.518 18277 15072 1 18 . 1 1 105 105 MET H H 104 8.719 8.719 8.670 0.049 18277 15073 1 18 . 1 1 106 106 GLU N N 105 118.752 118.752 118.317 0.435 18277 15074 1 18 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.230 0.006 18277 15075 1 18 . 1 1 106 106 GLU C C 105 177.172 177.172 176.935 0.237 18277 15076 1 18 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.151 1.578 18277 15077 1 18 . 1 1 106 106 GLU CB C 105 29.776 29.776 30.228 -0.452 18277 15078 1 18 . 1 1 106 106 GLU H H 105 8.306 8.306 8.052 0.254 18277 15079 1 18 . 1 1 107 107 MET N N 106 116.736 116.736 115.486 1.250 18277 15080 1 18 . 1 1 107 107 MET HA H 106 4.329 4.329 4.085 0.244 18277 15081 1 18 . 1 1 107 107 MET C C 106 176.319 176.319 174.740 1.579 18277 15082 1 18 . 1 1 107 107 MET CA C 106 55.514 55.514 56.242 -0.728 18277 15083 1 18 . 1 1 107 107 MET CB C 106 31.566 31.566 32.137 -0.571 18277 15084 1 18 . 1 1 107 107 MET H H 106 8.206 8.206 8.015 0.191 18277 15085 1 18 . 1 1 108 108 LYS N N 107 117.661 117.661 116.173 1.488 18277 15086 1 18 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.304 -0.218 18277 15087 1 18 . 1 1 108 108 LYS C C 107 176.049 176.049 175.575 0.474 18277 15088 1 18 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.656 0.444 18277 15089 1 18 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.816 -1.925 18277 15090 1 18 . 1 1 108 108 LYS H H 107 8.382 8.382 8.153 0.229 18277 15091 1 18 . 1 1 109 109 SER N N 108 113.019 113.019 115.020 -2.001 18277 15092 1 18 . 1 1 109 109 SER HA H 108 4.566 4.566 4.473 0.093 18277 15093 1 18 . 1 1 109 109 SER C C 108 172.969 172.969 172.290 0.679 18277 15094 1 18 . 1 1 109 109 SER CA C 108 56.997 56.997 57.165 -0.168 18277 15095 1 18 . 1 1 109 109 SER CB C 108 65.035 65.035 65.139 -0.104 18277 15096 1 18 . 1 1 109 109 SER H H 108 7.892 7.892 7.621 0.271 18277 15097 1 18 . 1 1 110 110 VAL N N 109 121.915 121.915 123.085 -1.170 18277 15098 1 18 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.981 -0.579 18277 15099 1 18 . 1 1 110 110 VAL C C 109 174.706 174.706 173.031 1.675 18277 15100 1 18 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.184 1.790 18277 15101 1 18 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.288 -2.208 18277 15102 1 18 . 1 1 110 110 VAL H H 109 7.878 7.878 7.880 -0.002 18277 15103 1 18 . 1 1 111 111 TYR N N 110 122.247 122.247 120.707 1.540 18277 15104 1 18 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.810 -0.474 18277 15105 1 18 . 1 1 111 111 TYR C C 110 173.915 173.915 174.128 -0.213 18277 15106 1 18 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.346 1.917 18277 15107 1 18 . 1 1 111 111 TYR CB C 110 43.222 43.222 40.654 2.568 18277 15108 1 18 . 1 1 111 111 TYR H H 110 8.317 8.317 8.440 -0.123 18277 15109 1 18 . 1 1 112 112 TYR N N 111 117.096 117.096 119.108 -2.012 18277 15110 1 18 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.710 0.159 18277 15111 1 18 . 1 1 112 112 TYR C C 111 175.418 175.418 174.762 0.656 18277 15112 1 18 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.806 0.376 18277 15113 1 18 . 1 1 112 112 TYR CB C 111 38.681 38.681 37.057 1.624 18277 15114 1 18 . 1 1 112 112 TYR H H 111 8.690 8.690 8.507 0.183 18277 15115 1 18 . 1 1 113 113 TYR N N 112 120.208 120.208 122.075 -1.867 18277 15116 1 18 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.743 0.196 18277 15117 1 18 . 1 1 113 113 TYR C C 112 176.674 176.674 176.685 -0.011 18277 15118 1 18 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.563 -0.996 18277 15119 1 18 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.202 2.722 18277 15120 1 18 . 1 1 113 113 TYR H H 112 9.374 9.374 9.156 0.218 18277 15121 1 18 . 1 1 114 114 ILE N N 113 121.490 121.490 125.446 -3.956 18277 15122 1 18 . 1 1 114 114 ILE HA H 113 4.821 4.821 3.964 0.857 18277 15123 1 18 . 1 1 114 114 ILE C C 113 176.329 176.329 175.984 0.345 18277 15124 1 18 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.281 -2.242 18277 15125 1 18 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.409 -1.444 18277 15126 1 18 . 1 1 114 114 ILE H H 113 8.076 8.076 8.102 -0.026 18277 15127 1 18 . 1 1 115 115 ASN N N 114 129.212 129.212 126.135 3.077 18277 15128 1 18 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.640 0.061 18277 15129 1 18 . 1 1 115 115 ASN C C 114 175.914 175.914 174.921 0.993 18277 15130 1 18 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.586 0.436 18277 15131 1 18 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.405 0.144 18277 15132 1 18 . 1 1 115 115 ASN H H 114 8.959 8.959 8.272 0.687 18277 15133 1 18 . 1 1 116 116 ASN N N 115 121.613 121.613 121.337 0.276 18277 15134 1 18 . 1 1 116 116 ASN HA H 115 4.869 4.869 4.921 -0.052 18277 15135 1 18 . 1 1 116 116 ASN C C 115 178.040 178.040 176.328 1.712 18277 15136 1 18 . 1 1 116 116 ASN CA C 115 52.780 52.780 54.372 -1.592 18277 15137 1 18 . 1 1 116 116 ASN CB C 115 39.096 39.096 39.017 0.078 18277 15138 1 18 . 1 1 116 116 ASN H H 115 8.464 8.464 8.437 0.027 18277 15139 1 18 . 1 1 117 117 CYS N N 116 120.777 120.777 117.434 3.343 18277 15140 1 18 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.847 -0.103 18277 15141 1 18 . 1 1 117 117 CYS C C 116 174.635 174.635 174.235 0.400 18277 15142 1 18 . 1 1 117 117 CYS CA C 116 60.087 60.087 60.322 -0.235 18277 15143 1 18 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.089 0.367 18277 15144 1 18 . 1 1 117 117 CYS H H 116 8.256 8.256 8.292 -0.036 18277 15145 1 18 . 1 1 118 118 ASP N N 117 119.926 119.926 120.588 -0.662 18277 15146 1 18 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.667 0.232 18277 15147 1 18 . 1 1 118 118 ASP C C 117 176.225 176.225 176.498 -0.273 18277 15148 1 18 . 1 1 118 118 ASP CA C 117 53.410 53.410 54.713 -1.303 18277 15149 1 18 . 1 1 118 118 ASP CB C 117 40.174 40.174 39.687 0.487 18277 15150 1 18 . 1 1 118 118 ASP H H 117 8.420 8.420 8.224 0.196 18277 15151 1 18 . 1 1 119 119 THR N N 118 116.185 116.185 116.384 -0.199 18277 15152 1 18 . 1 1 119 119 THR HA H 118 4.315 4.315 4.293 0.022 18277 15153 1 18 . 1 1 119 119 THR C C 118 175.349 175.349 175.722 -0.373 18277 15154 1 18 . 1 1 119 119 THR CA C 118 66.029 66.029 67.631 -1.602 18277 15155 1 18 . 1 1 119 119 THR CB C 118 69.654 69.654 69.507 0.147 18277 15156 1 18 . 1 1 119 119 THR H H 118 7.712 7.712 8.126 -0.414 18277 15157 1 18 . 1 1 120 120 ASP N N 119 120.938 120.938 121.005 -0.067 18277 15158 1 18 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.791 -0.258 18277 15159 1 18 . 1 1 120 120 ASP C C 119 177.991 177.991 177.258 0.733 18277 15160 1 18 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.150 -0.244 18277 15161 1 18 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.215 0.722 18277 15162 1 18 . 1 1 120 120 ASP H H 119 8.730 8.730 8.790 -0.060 18277 15163 1 18 . 1 1 121 121 ALA N N 120 122.818 122.818 119.613 3.205 18277 15164 1 18 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.242 -0.064 18277 15165 1 18 . 1 1 121 121 ALA C C 120 178.787 178.787 178.541 0.246 18277 15166 1 18 . 1 1 121 121 ALA CA C 120 53.891 53.891 54.018 -0.127 18277 15167 1 18 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.816 -0.344 18277 15168 1 18 . 1 1 121 121 ALA H H 120 8.033 8.033 8.565 -0.532 18277 15169 1 18 . 1 1 122 122 ASN N N 121 116.085 116.085 117.022 -0.937 18277 15170 1 18 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.783 -0.149 18277 15171 1 18 . 1 1 122 122 ASN C C 121 176.235 176.235 177.702 -1.467 18277 15172 1 18 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.344 0.152 18277 15173 1 18 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.036 -0.147 18277 15174 1 18 . 1 1 122 122 ASN H H 121 8.128 8.128 8.062 0.066 18277 15175 1 18 . 1 1 123 123 VAL N N 122 117.803 117.803 119.388 -1.585 18277 15176 1 18 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.691 0.271 18277 15177 1 18 . 1 1 123 123 VAL C C 122 176.973 176.973 176.672 0.301 18277 15178 1 18 . 1 1 123 123 VAL CA C 122 63.916 63.916 65.675 -1.759 18277 15179 1 18 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.103 0.792 18277 15180 1 18 . 1 1 123 123 VAL H H 122 8.262 8.262 8.321 -0.059 18277 15181 1 18 . 1 1 124 124 GLY N N 123 110.472 110.472 103.661 6.811 18277 15182 1 18 . 1 1 124 124 GLY C C 123 174.107 174.107 173.408 0.699 18277 15183 1 18 . 1 1 124 124 GLY CA C 123 45.401 45.401 44.946 0.455 18277 15184 1 18 . 1 1 124 124 GLY H H 123 8.172 8.172 7.481 0.691 18277 15185 1 18 . 1 1 125 125 SER N N 124 113.065 113.065 117.516 -4.451 18277 15186 1 18 . 1 1 125 125 SER HA H 124 4.529 4.529 4.832 -0.303 18277 15187 1 18 . 1 1 125 125 SER C C 124 174.664 174.664 173.871 0.793 18277 15188 1 18 . 1 1 125 125 SER CA C 124 58.981 58.981 57.429 1.552 18277 15189 1 18 . 1 1 125 125 SER CB C 124 64.492 64.492 63.903 0.589 18277 15190 1 18 . 1 1 125 125 SER H H 124 8.139 8.139 8.551 -0.412 18277 15191 1 18 . 1 1 126 126 ASP N N 125 121.312 121.312 122.146 -0.834 18277 15192 1 18 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.521 0.186 18277 15193 1 18 . 1 1 126 126 ASP C C 125 177.029 177.029 176.128 0.901 18277 15194 1 18 . 1 1 126 126 ASP CA C 125 54.232 54.232 54.372 -0.140 18277 15195 1 18 . 1 1 126 126 ASP CB C 125 40.878 40.878 39.635 1.243 18277 15196 1 18 . 1 1 126 126 ASP H H 125 8.146 8.146 8.137 0.009 18277 15197 1 18 . 1 1 127 127 VAL N N 126 123.444 123.444 122.648 0.796 18277 15198 1 18 . 1 1 127 127 VAL HA H 126 3.826 3.826 4.259 -0.433 18277 15199 1 18 . 1 1 127 127 VAL C C 126 177.304 177.304 177.135 0.169 18277 15200 1 18 . 1 1 127 127 VAL CA C 126 65.899 65.899 63.426 2.473 18277 15201 1 18 . 1 1 127 127 VAL CB C 126 32.222 32.222 32.334 -0.112 18277 15202 1 18 . 1 1 127 127 VAL H H 126 8.474 8.474 8.044 0.430 18277 15203 1 18 . 1 1 128 128 GLU N N 127 120.874 120.874 120.342 0.532 18277 15204 1 18 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.310 -0.377 18277 15205 1 18 . 1 1 128 128 GLU CA C 127 58.660 58.660 59.059 -0.400 18277 15206 1 18 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.798 -0.718 18277 15207 1 18 . 1 1 128 128 GLU H H 127 8.504 8.504 8.580 -0.076 18277 15208 1 18 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.865 -0.116 18277 15209 1 18 . 1 1 129 129 HIS C C 128 174.898 174.898 175.162 -0.264 18277 15210 1 18 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.848 1.600 18277 15211 1 18 . 1 1 129 129 HIS CB C 128 29.045 29.045 29.403 -0.358 18277 15212 1 18 . 1 1 130 130 TYR N N 129 122.615 122.615 122.096 0.519 18277 15213 1 18 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.480 -0.480 18277 15214 1 18 . 1 1 130 130 TYR C C 129 178.544 178.544 176.889 1.655 18277 15215 1 18 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.238 0.870 18277 15216 1 18 . 1 1 130 130 TYR CB C 129 39.542 39.542 39.203 0.339 18277 15217 1 18 . 1 1 130 130 TYR H H 129 8.118 8.118 8.016 0.102 18277 15218 1 18 . 1 1 131 131 LEU N N 130 116.037 116.037 117.655 -1.618 18277 15219 1 18 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.498 -0.149 18277 15220 1 18 . 1 1 131 131 LEU C C 130 179.368 179.368 178.941 0.427 18277 15221 1 18 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.397 1.419 18277 15222 1 18 . 1 1 131 131 LEU CB C 130 41.369 41.369 41.017 0.352 18277 15223 1 18 . 1 1 131 131 LEU H H 130 9.092 9.092 8.541 0.551 18277 15224 1 18 . 1 1 132 132 THR N N 131 113.629 113.629 109.017 4.612 18277 15225 1 18 . 1 1 132 132 THR HA H 131 4.007 4.007 4.252 -0.245 18277 15226 1 18 . 1 1 132 132 THR C C 131 177.255 177.255 176.389 0.866 18277 15227 1 18 . 1 1 132 132 THR CA C 131 66.505 66.505 64.676 1.829 18277 15228 1 18 . 1 1 132 132 THR CB C 131 68.052 68.052 68.416 -0.364 18277 15229 1 18 . 1 1 132 132 THR H H 131 8.129 8.129 8.006 0.123 18277 15230 1 18 . 1 1 133 133 ARG N N 132 124.720 124.720 122.098 2.622 18277 15231 1 18 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.338 -0.222 18277 15232 1 18 . 1 1 133 133 ARG C C 132 178.921 178.921 177.684 1.237 18277 15233 1 18 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.150 1.887 18277 15234 1 18 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.402 -0.128 18277 15235 1 18 . 1 1 133 133 ARG H H 132 8.187 8.187 7.836 0.351 18277 15236 1 18 . 1 1 134 134 TRP N N 133 120.307 120.307 121.253 -0.946 18277 15237 1 18 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.374 -0.147 18277 15238 1 18 . 1 1 134 134 TRP C C 133 177.823 177.823 178.204 -0.381 18277 15239 1 18 . 1 1 134 134 TRP CA C 133 62.470 62.470 61.570 0.900 18277 15240 1 18 . 1 1 134 134 TRP CB C 133 28.755 28.755 29.398 -0.643 18277 15241 1 18 . 1 1 134 134 TRP H H 133 9.167 9.167 8.668 0.499 18277 15242 1 18 . 1 1 135 135 ILE N N 134 117.595 117.595 118.579 -0.984 18277 15243 1 18 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.424 0.159 18277 15244 1 18 . 1 1 135 135 ILE C C 134 176.333 176.333 177.378 -1.045 18277 15245 1 18 . 1 1 135 135 ILE CA C 134 60.708 60.708 64.178 -3.470 18277 15246 1 18 . 1 1 135 135 ILE CB C 134 37.133 37.133 37.749 -0.616 18277 15247 1 18 . 1 1 135 135 ILE H H 134 9.000 9.000 7.771 1.229 18277 15248 1 18 . 1 1 136 136 SER N N 135 116.548 116.548 112.728 3.820 18277 15249 1 18 . 1 1 136 136 SER HA H 135 3.931 3.931 4.109 -0.178 18277 15250 1 18 . 1 1 136 136 SER C C 135 174.339 174.339 174.911 -0.572 18277 15251 1 18 . 1 1 136 136 SER CA C 135 62.535 62.535 59.890 2.645 18277 15252 1 18 . 1 1 136 136 SER CB C 135 62.820 62.820 62.484 0.336 18277 15253 1 18 . 1 1 136 136 SER H H 135 7.592 7.592 7.741 -0.149 18277 15254 1 18 . 1 1 137 137 LEU N N 136 119.693 119.693 120.064 -0.371 18277 15255 1 18 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.242 -0.045 18277 15256 1 18 . 1 1 137 137 LEU C C 136 178.376 178.376 177.862 0.514 18277 15257 1 18 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.969 0.147 18277 15258 1 18 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.722 0.266 18277 15259 1 18 . 1 1 137 137 LEU H H 136 7.247 7.247 7.554 -0.307 18277 15260 1 18 . 1 1 138 138 TYR N N 137 116.295 116.295 117.101 -0.806 18277 15261 1 18 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.056 -0.412 18277 15262 1 18 . 1 1 138 138 TYR C C 137 178.142 178.142 177.641 0.501 18277 15263 1 18 . 1 1 138 138 TYR CA C 137 61.396 61.396 58.672 2.724 18277 15264 1 18 . 1 1 138 138 TYR CB C 137 37.907 37.907 37.771 0.136 18277 15265 1 18 . 1 1 138 138 TYR H H 137 8.057 8.057 8.003 0.054 18277 15266 1 18 . 1 1 139 139 ILE N N 138 117.755 117.755 121.272 -3.517 18277 15267 1 18 . 1 1 139 139 ILE HA H 138 3.818 3.818 2.845 0.973 18277 15268 1 18 . 1 1 139 139 ILE C C 138 176.943 176.943 177.107 -0.164 18277 15269 1 18 . 1 1 139 139 ILE CA C 138 61.684 61.684 62.383 -0.700 18277 15270 1 18 . 1 1 139 139 ILE CB C 138 36.768 36.768 36.613 0.155 18277 15271 1 18 . 1 1 139 139 ILE H H 138 8.371 8.371 7.598 0.773 18277 15272 1 18 . 1 1 140 140 ARG N N 139 118.103 118.103 118.175 -0.072 18277 15273 1 18 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.184 -0.109 18277 15274 1 18 . 1 1 140 140 ARG C C 139 176.776 176.776 177.718 -0.942 18277 15275 1 18 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.714 -1.185 18277 15276 1 18 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.770 0.071 18277 15277 1 18 . 1 1 140 140 ARG H H 139 6.762 6.762 7.846 -1.084 18277 15278 1 18 . 1 1 141 141 ILE N N 140 117.603 117.603 117.872 -0.269 18277 15279 1 18 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.851 -0.080 18277 15280 1 18 . 1 1 141 141 ILE C C 140 176.448 176.448 176.335 0.113 18277 15281 1 18 . 1 1 141 141 ILE CA C 140 63.370 63.370 63.796 -0.426 18277 15282 1 18 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.730 1.089 18277 15283 1 18 . 1 1 141 141 ILE H H 140 7.056 7.056 8.149 -1.093 18277 15284 1 18 . 1 1 142 142 PHE N N 141 114.969 114.969 116.249 -1.280 18277 15285 1 18 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.551 -0.157 18277 15286 1 18 . 1 1 142 142 PHE C C 141 175.503 175.503 174.849 0.654 18277 15287 1 18 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.392 -0.266 18277 15288 1 18 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.703 -1.265 18277 15289 1 18 . 1 1 142 142 PHE H H 141 7.287 7.287 7.813 -0.526 18277 15290 1 18 . 1 1 143 143 ASP N N 142 116.492 116.492 117.809 -1.317 18277 15291 1 18 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.848 -0.103 18277 15292 1 18 . 1 1 143 143 ASP C C 142 175.131 175.131 175.840 -0.709 18277 15293 1 18 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.603 0.410 18277 15294 1 18 . 1 1 143 143 ASP CB C 142 42.996 42.996 41.950 1.046 18277 15295 1 18 . 1 1 143 143 ASP H H 142 7.697 7.697 8.048 -0.351 18277 15296 1 18 . 1 1 144 144 LEU N N 143 126.435 126.435 122.087 4.348 18277 15297 1 18 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.251 -0.065 18277 15298 1 18 . 1 1 144 144 LEU C C 143 177.297 177.297 176.963 0.334 18277 15299 1 18 . 1 1 144 144 LEU CA C 143 56.940 56.940 56.112 0.828 18277 15300 1 18 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.780 0.829 18277 15301 1 18 . 1 1 144 144 LEU H H 143 8.790 8.790 8.646 0.144 18277 15302 1 18 . 1 1 145 145 ASN N N 144 114.711 114.711 114.577 0.134 18277 15303 1 18 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.758 0.065 18277 15304 1 18 . 1 1 145 145 ASN C C 144 174.879 174.879 174.606 0.273 18277 15305 1 18 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.072 0.079 18277 15306 1 18 . 1 1 145 145 ASN CB C 144 39.695 39.695 39.658 0.037 18277 15307 1 18 . 1 1 145 145 ASN H H 144 8.569 8.569 7.988 0.581 18277 15308 1 18 . 1 1 146 146 PHE N N 145 121.472 121.472 122.401 -0.929 18277 15309 1 18 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.336 0.173 18277 15310 1 18 . 1 1 146 146 PHE C C 145 173.397 173.397 173.774 -0.377 18277 15311 1 18 . 1 1 146 146 PHE CA C 145 57.895 57.895 58.365 -0.470 18277 15312 1 18 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.651 0.336 18277 15313 1 18 . 1 1 146 146 PHE H H 145 7.214 7.214 7.856 -0.642 18277 15314 1 18 . 1 1 147 147 VAL N N 146 128.813 128.813 124.631 4.182 18277 15315 1 18 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.372 -0.300 18277 15316 1 18 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.468 1.230 18277 15317 1 18 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.217 2.252 18277 15318 1 18 . 1 1 147 147 VAL H H 146 7.666 7.666 7.756 -0.090 18277 15319 1 19 . 1 1 2 2 MET N N 1 121.461 121.461 120.605 0.856 18277 15320 1 19 . 1 1 2 2 MET HA H 1 4.581 4.581 3.986 0.595 18277 15321 1 19 . 1 1 2 2 MET C C 1 175.184 175.184 174.630 0.554 18277 15322 1 19 . 1 1 2 2 MET CA C 1 55.447 55.447 56.874 -1.427 18277 15323 1 19 . 1 1 2 2 MET CB C 1 34.107 34.107 32.116 1.991 18277 15324 1 19 . 1 1 2 2 MET H H 1 8.431 8.431 8.595 -0.164 18277 15325 1 19 . 1 1 3 3 LEU N N 2 123.575 123.575 121.504 2.071 18277 15326 1 19 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.843 -0.373 18277 15327 1 19 . 1 1 3 3 LEU C C 2 176.479 176.479 176.836 -0.357 18277 15328 1 19 . 1 1 3 3 LEU CA C 2 54.544 54.544 54.862 -0.318 18277 15329 1 19 . 1 1 3 3 LEU CB C 2 43.200 43.200 42.410 0.790 18277 15330 1 19 . 1 1 3 3 LEU H H 2 8.678 8.678 7.678 1.000 18277 15331 1 19 . 1 1 4 4 THR N N 3 119.326 119.326 117.443 1.883 18277 15332 1 19 . 1 1 4 4 THR HA H 3 4.398 4.398 4.604 -0.206 18277 15333 1 19 . 1 1 4 4 THR C C 3 173.920 173.920 175.631 -1.711 18277 15334 1 19 . 1 1 4 4 THR CA C 3 61.025 61.025 60.439 0.586 18277 15335 1 19 . 1 1 4 4 THR CB C 3 71.090 71.090 70.987 0.103 18277 15336 1 19 . 1 1 4 4 THR H H 3 8.541 8.541 7.755 0.786 18277 15337 1 19 . 1 1 5 5 LEU N N 4 122.107 122.107 119.940 2.167 18277 15338 1 19 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.605 -0.317 18277 15339 1 19 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.075 1.017 18277 15340 1 19 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.999 -0.193 18277 15341 1 19 . 1 1 5 5 LEU H H 4 8.777 8.777 8.584 0.193 18277 15342 1 19 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.386 -0.040 18277 15343 1 19 . 1 1 6 6 PRO C C 5 179.812 179.812 177.867 1.945 18277 15344 1 19 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.478 1.782 18277 15345 1 19 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.272 -0.213 18277 15346 1 19 . 1 1 7 7 GLU N N 6 117.744 117.744 117.132 0.612 18277 15347 1 19 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.207 -0.181 18277 15348 1 19 . 1 1 7 7 GLU C C 6 178.359 178.359 177.413 0.946 18277 15349 1 19 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.566 0.537 18277 15350 1 19 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.502 -0.231 18277 15351 1 19 . 1 1 7 7 GLU H H 6 7.088 7.088 7.855 -0.767 18277 15352 1 19 . 1 1 8 8 TYR N N 7 120.825 120.825 118.730 2.095 18277 15353 1 19 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.426 -0.531 18277 15354 1 19 . 1 1 8 8 TYR C C 7 176.641 176.641 177.330 -0.689 18277 15355 1 19 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.820 1.699 18277 15356 1 19 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.149 -1.422 18277 15357 1 19 . 1 1 8 8 TYR H H 7 8.310 8.310 7.793 0.517 18277 15358 1 19 . 1 1 9 9 ASN N N 8 118.086 118.086 118.859 -0.773 18277 15359 1 19 . 1 1 9 9 ASN HA H 8 4.318 4.318 3.996 0.322 18277 15360 1 19 . 1 1 9 9 ASN C C 8 179.060 179.060 176.885 2.175 18277 15361 1 19 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.268 0.506 18277 15362 1 19 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.776 0.533 18277 15363 1 19 . 1 1 9 9 ASN H H 8 8.791 8.791 8.507 0.284 18277 15364 1 19 . 1 1 10 10 GLU N N 9 120.057 120.057 118.881 1.176 18277 15365 1 19 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.176 -0.063 18277 15366 1 19 . 1 1 10 10 GLU C C 9 177.853 177.853 177.023 0.830 18277 15367 1 19 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.693 -0.187 18277 15368 1 19 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.461 0.180 18277 15369 1 19 . 1 1 10 10 GLU H H 9 8.013 8.013 8.448 -0.435 18277 15370 1 19 . 1 1 11 11 GLN N N 10 116.468 116.468 117.128 -0.660 18277 15371 1 19 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.510 -0.060 18277 15372 1 19 . 1 1 11 11 GLN C C 10 177.470 177.470 176.635 0.835 18277 15373 1 19 . 1 1 11 11 GLN CA C 10 56.997 56.997 56.220 0.777 18277 15374 1 19 . 1 1 11 11 GLN CB C 10 30.725 30.725 28.911 1.814 18277 15375 1 19 . 1 1 11 11 GLN H H 10 7.488 7.488 7.591 -0.103 18277 15376 1 19 . 1 1 12 12 ILE N N 11 124.393 124.393 121.836 2.557 18277 15377 1 19 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.736 0.092 18277 15378 1 19 . 1 1 12 12 ILE CA C 11 63.506 63.506 66.199 -2.693 18277 15379 1 19 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.260 -1.002 18277 15380 1 19 . 1 1 12 12 ILE H H 11 7.605 7.605 6.910 0.695 18277 15381 1 19 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.529 -0.292 18277 15382 1 19 . 1 1 13 13 PRO C C 12 179.113 179.113 176.949 2.164 18277 15383 1 19 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.648 1.779 18277 15384 1 19 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.876 0.201 18277 15385 1 19 . 1 1 14 14 ASN N N 13 115.499 115.499 117.068 -1.569 18277 15386 1 19 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.765 -0.173 18277 15387 1 19 . 1 1 14 14 ASN C C 13 178.208 178.208 177.171 1.037 18277 15388 1 19 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.890 0.901 18277 15389 1 19 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.557 -0.513 18277 15390 1 19 . 1 1 14 14 ASN H H 13 7.793 7.793 8.178 -0.385 18277 15391 1 19 . 1 1 15 15 VAL N N 14 121.205 121.205 121.673 -0.468 18277 15392 1 19 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.828 -0.128 18277 15393 1 19 . 1 1 15 15 VAL C C 14 176.999 176.999 177.352 -0.353 18277 15394 1 19 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.434 0.110 18277 15395 1 19 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.933 -0.508 18277 15396 1 19 . 1 1 15 15 VAL H H 14 7.704 7.704 8.123 -0.419 18277 15397 1 19 . 1 1 16 16 ARG N N 15 121.067 121.067 119.358 1.709 18277 15398 1 19 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.123 -0.409 18277 15399 1 19 . 1 1 16 16 ARG C C 15 178.150 178.150 177.638 0.512 18277 15400 1 19 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.500 1.020 18277 15401 1 19 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.706 0.509 18277 15402 1 19 . 1 1 16 16 ARG H H 15 8.855 8.855 7.853 1.002 18277 15403 1 19 . 1 1 17 17 SER N N 16 112.741 112.741 115.557 -2.816 18277 15404 1 19 . 1 1 17 17 SER HA H 16 4.245 4.245 4.381 -0.136 18277 15405 1 19 . 1 1 17 17 SER C C 16 177.177 177.177 176.828 0.349 18277 15406 1 19 . 1 1 17 17 SER CA C 16 61.756 61.756 61.008 0.749 18277 15407 1 19 . 1 1 17 17 SER CB C 16 62.785 62.785 63.150 -0.365 18277 15408 1 19 . 1 1 17 17 SER H H 16 7.987 7.987 7.699 0.288 18277 15409 1 19 . 1 1 18 18 LEU N N 17 122.703 122.703 121.090 1.613 18277 15410 1 19 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.356 -0.099 18277 15411 1 19 . 1 1 18 18 LEU C C 17 179.350 179.350 179.413 -0.063 18277 15412 1 19 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.408 1.076 18277 15413 1 19 . 1 1 18 18 LEU CB C 17 42.475 42.475 40.907 1.568 18277 15414 1 19 . 1 1 18 18 LEU H H 17 7.728 7.728 7.741 -0.013 18277 15415 1 19 . 1 1 19 19 LEU N N 18 116.536 116.536 120.420 -3.884 18277 15416 1 19 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.288 -0.057 18277 15417 1 19 . 1 1 19 19 LEU C C 18 178.556 178.556 179.338 -0.782 18277 15418 1 19 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.933 -0.658 18277 15419 1 19 . 1 1 19 19 LEU CB C 18 41.716 41.716 40.744 0.972 18277 15420 1 19 . 1 1 19 19 LEU H H 18 8.367 8.367 8.418 -0.051 18277 15421 1 19 . 1 1 20 20 THR N N 19 111.172 111.172 110.827 0.345 18277 15422 1 19 . 1 1 20 20 THR HA H 19 4.072 4.072 3.980 0.092 18277 15423 1 19 . 1 1 20 20 THR C C 19 175.433 175.433 175.813 -0.380 18277 15424 1 19 . 1 1 20 20 THR CA C 19 65.421 65.421 65.165 0.256 18277 15425 1 19 . 1 1 20 20 THR CB C 19 69.541 69.541 68.762 0.779 18277 15426 1 19 . 1 1 20 20 THR H H 19 7.926 7.926 8.075 -0.149 18277 15427 1 19 . 1 1 21 21 LYS N N 20 117.696 117.696 118.419 -0.723 18277 15428 1 19 . 1 1 21 21 LYS HA H 20 4.351 4.351 3.987 0.364 18277 15429 1 19 . 1 1 21 21 LYS C C 20 176.229 176.229 176.552 -0.323 18277 15430 1 19 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.426 0.088 18277 15431 1 19 . 1 1 21 21 LYS CB C 20 32.349 32.349 31.943 0.406 18277 15432 1 19 . 1 1 21 21 LYS H H 20 7.350 7.350 8.140 -0.790 18277 15433 1 19 . 1 1 22 22 TRP N N 21 123.258 123.258 121.690 1.568 18277 15434 1 19 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.928 0.840 18277 15435 1 19 . 1 1 22 22 TRP C C 21 177.333 177.333 176.712 0.621 18277 15436 1 19 . 1 1 22 22 TRP CA C 21 54.466 54.466 55.503 -1.037 18277 15437 1 19 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.162 0.720 18277 15438 1 19 . 1 1 22 22 TRP H H 21 7.710 7.710 7.480 0.230 18277 15439 1 19 . 1 1 23 23 ALA N N 22 133.336 133.336 131.344 1.992 18277 15440 1 19 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.056 0.090 18277 15441 1 19 . 1 1 23 23 ALA C C 22 177.467 177.467 177.297 0.170 18277 15442 1 19 . 1 1 23 23 ALA CA C 22 54.855 54.855 54.027 0.828 18277 15443 1 19 . 1 1 23 23 ALA CB C 22 18.964 18.964 18.778 0.186 18277 15444 1 19 . 1 1 23 23 ALA H H 22 9.658 9.658 8.292 1.366 18277 15445 1 19 . 1 1 24 24 LYS N N 23 111.352 111.352 115.194 -3.842 18277 15446 1 19 . 1 1 24 24 LYS HA H 23 4.000 4.000 3.970 0.030 18277 15447 1 19 . 1 1 24 24 LYS C C 23 175.467 175.467 176.062 -0.595 18277 15448 1 19 . 1 1 24 24 LYS CA C 23 56.522 56.522 56.884 -0.362 18277 15449 1 19 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.069 1.237 18277 15450 1 19 . 1 1 24 24 LYS H H 23 5.756 5.756 7.923 -2.167 18277 15451 1 19 . 1 1 25 25 VAL N N 24 119.937 119.937 119.655 0.282 18277 15452 1 19 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.719 -0.341 18277 15453 1 19 . 1 1 25 25 VAL C C 24 175.634 175.634 175.497 0.137 18277 15454 1 19 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.592 0.871 18277 15455 1 19 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.404 0.617 18277 15456 1 19 . 1 1 25 25 VAL H H 24 7.179 7.179 6.985 0.194 18277 15457 1 19 . 1 1 26 26 GLU N N 25 127.218 127.218 128.451 -1.233 18277 15458 1 19 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.356 0.052 18277 15459 1 19 . 1 1 26 26 GLU C C 25 176.448 176.448 175.931 0.517 18277 15460 1 19 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.315 0.661 18277 15461 1 19 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.583 -0.177 18277 15462 1 19 . 1 1 26 26 GLU H H 25 9.017 9.017 8.777 0.240 18277 15463 1 19 . 1 1 27 27 ARG N N 26 117.397 117.397 119.925 -2.528 18277 15464 1 19 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.521 0.006 18277 15465 1 19 . 1 1 27 27 ARG C C 26 173.508 173.508 173.935 -0.427 18277 15466 1 19 . 1 1 27 27 ARG CA C 26 56.216 56.216 55.291 0.925 18277 15467 1 19 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.724 1.239 18277 15468 1 19 . 1 1 27 27 ARG H H 26 7.521 7.521 7.404 0.117 18277 15469 1 19 . 1 1 28 28 ILE N N 27 123.297 123.297 124.153 -0.856 18277 15470 1 19 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.357 0.324 18277 15471 1 19 . 1 1 28 28 ILE C C 27 173.872 173.872 174.937 -1.065 18277 15472 1 19 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.124 0.966 18277 15473 1 19 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.890 1.795 18277 15474 1 19 . 1 1 28 28 ILE H H 27 8.662 8.662 8.518 0.144 18277 15475 1 19 . 1 1 29 29 GLN N N 28 125.810 125.810 128.364 -2.554 18277 15476 1 19 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.727 0.025 18277 15477 1 19 . 1 1 29 29 GLN C C 28 174.329 174.329 173.997 0.332 18277 15478 1 19 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.073 -0.004 18277 15479 1 19 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.098 -0.156 18277 15480 1 19 . 1 1 29 29 GLN H H 28 9.282 9.282 8.598 0.684 18277 15481 1 19 . 1 1 30 30 ASP N N 29 125.001 125.001 121.243 3.758 18277 15482 1 19 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.883 0.003 18277 15483 1 19 . 1 1 30 30 ASP C C 29 175.522 175.522 174.772 0.750 18277 15484 1 19 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.633 2.823 18277 15485 1 19 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.644 -2.321 18277 15486 1 19 . 1 1 30 30 ASP H H 29 8.666 8.666 8.448 0.218 18277 15487 1 19 . 1 1 31 31 VAL N N 30 116.978 116.978 115.207 1.771 18277 15488 1 19 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.578 0.066 18277 15489 1 19 . 1 1 31 31 VAL C C 30 175.448 175.448 174.645 0.803 18277 15490 1 19 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.478 -0.300 18277 15491 1 19 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.844 0.280 18277 15492 1 19 . 1 1 31 31 VAL H H 30 7.784 7.784 8.005 -0.221 18277 15493 1 19 . 1 1 32 32 GLN N N 31 121.763 121.763 122.256 -0.493 18277 15494 1 19 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.101 -0.068 18277 15495 1 19 . 1 1 32 32 GLN C C 31 176.620 176.620 175.590 1.030 18277 15496 1 19 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.631 0.552 18277 15497 1 19 . 1 1 32 32 GLN CB C 31 28.042 28.042 27.880 0.162 18277 15498 1 19 . 1 1 32 32 GLN H H 31 8.515 8.515 8.606 -0.091 18277 15499 1 19 . 1 1 33 33 ASP N N 32 121.199 121.199 123.599 -2.400 18277 15500 1 19 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.466 0.509 18277 15501 1 19 . 1 1 33 33 ASP C C 32 176.998 176.998 174.638 2.360 18277 15502 1 19 . 1 1 33 33 ASP CA C 32 55.528 55.528 55.023 0.506 18277 15503 1 19 . 1 1 33 33 ASP CB C 32 40.659 40.659 40.757 -0.098 18277 15504 1 19 . 1 1 33 33 ASP H H 32 9.134 9.134 8.435 0.699 18277 15505 1 19 . 1 1 34 34 GLY N N 33 106.691 106.691 102.784 3.907 18277 15506 1 19 . 1 1 34 34 GLY C C 33 171.453 171.453 171.971 -0.518 18277 15507 1 19 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.712 1.653 18277 15508 1 19 . 1 1 34 34 GLY H H 33 8.104 8.104 7.826 0.278 18277 15509 1 19 . 1 1 35 35 LEU N N 34 119.801 119.801 119.598 0.203 18277 15510 1 19 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.733 0.550 18277 15511 1 19 . 1 1 35 35 LEU C C 34 174.568 174.568 173.965 0.603 18277 15512 1 19 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.435 -1.867 18277 15513 1 19 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.243 2.029 18277 15514 1 19 . 1 1 35 35 LEU H H 34 8.491 8.491 8.094 0.397 18277 15515 1 19 . 1 1 36 36 GLN N N 35 121.349 121.349 121.849 -0.500 18277 15516 1 19 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.566 -0.349 18277 15517 1 19 . 1 1 36 36 GLN C C 35 174.530 174.530 174.298 0.232 18277 15518 1 19 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.347 0.417 18277 15519 1 19 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.414 0.066 18277 15520 1 19 . 1 1 36 36 GLN H H 35 8.992 8.992 8.732 0.260 18277 15521 1 19 . 1 1 37 37 LEU N N 36 126.882 126.882 126.546 0.336 18277 15522 1 19 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.262 0.096 18277 15523 1 19 . 1 1 37 37 LEU C C 36 174.519 174.519 176.803 -2.284 18277 15524 1 19 . 1 1 37 37 LEU CA C 36 54.931 54.931 52.133 2.799 18277 15525 1 19 . 1 1 37 37 LEU CB C 36 45.251 45.251 43.200 2.051 18277 15526 1 19 . 1 1 37 37 LEU H H 36 9.826 9.826 8.079 1.747 18277 15527 1 19 . 1 1 38 38 ASP N N 37 122.748 122.748 120.676 2.072 18277 15528 1 19 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.880 0.569 18277 15529 1 19 . 1 1 38 38 ASP C C 37 175.197 175.197 174.787 0.410 18277 15530 1 19 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.707 -0.328 18277 15531 1 19 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.967 0.096 18277 15532 1 19 . 1 1 38 38 ASP H H 37 8.556 8.556 8.597 -0.041 18277 15533 1 19 . 1 1 39 39 VAL N N 38 124.835 124.835 125.164 -0.329 18277 15534 1 19 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.731 0.410 18277 15535 1 19 . 1 1 39 39 VAL C C 38 174.081 174.081 175.159 -1.078 18277 15536 1 19 . 1 1 39 39 VAL CA C 38 60.442 60.442 62.188 -1.746 18277 15537 1 19 . 1 1 39 39 VAL CB C 38 34.594 34.594 31.625 2.970 18277 15538 1 19 . 1 1 39 39 VAL H H 38 9.495 9.495 8.206 1.289 18277 15539 1 19 . 1 1 40 40 ARG N N 39 131.221 131.221 128.782 2.439 18277 15540 1 19 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.419 0.097 18277 15541 1 19 . 1 1 40 40 ARG C C 39 174.144 174.144 175.921 -1.777 18277 15542 1 19 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.862 -0.358 18277 15543 1 19 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.253 -0.134 18277 15544 1 19 . 1 1 40 40 ARG H H 39 9.046 9.046 8.572 0.474 18277 15545 1 19 . 1 1 41 41 LEU N N 40 129.501 129.501 123.224 6.277 18277 15546 1 19 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.068 -0.042 18277 15547 1 19 . 1 1 41 41 LEU C C 40 176.934 176.934 177.078 -0.144 18277 15548 1 19 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.079 0.784 18277 15549 1 19 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.329 1.419 18277 15550 1 19 . 1 1 41 41 LEU H H 40 7.786 7.786 8.018 -0.232 18277 15551 1 19 . 1 1 42 42 LYS N N 41 112.553 112.553 115.474 -2.921 18277 15552 1 19 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.460 0.234 18277 15553 1 19 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.687 -1.508 18277 15554 1 19 . 1 1 42 42 LYS CB C 41 36.003 36.003 34.770 1.233 18277 15555 1 19 . 1 1 42 42 LYS H H 41 8.313 8.313 7.374 0.939 18277 15556 1 19 . 1 1 43 43 THR HA H 42 3.860 3.860 4.151 -0.291 18277 15557 1 19 . 1 1 43 43 THR C C 42 174.883 174.883 174.217 0.666 18277 15558 1 19 . 1 1 43 43 THR CA C 42 66.494 66.494 64.985 1.509 18277 15559 1 19 . 1 1 43 43 THR CB C 42 68.508 68.508 68.924 -0.416 18277 15560 1 19 . 1 1 44 44 ASP N N 43 114.795 114.795 117.372 -2.577 18277 15561 1 19 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.898 -0.069 18277 15562 1 19 . 1 1 44 44 ASP C C 43 176.791 176.791 174.965 1.826 18277 15563 1 19 . 1 1 44 44 ASP CA C 43 52.921 52.921 54.007 -1.086 18277 15564 1 19 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.725 0.345 18277 15565 1 19 . 1 1 44 44 ASP H H 43 7.759 7.759 8.171 -0.412 18277 15566 1 19 . 1 1 45 45 THR N N 44 115.323 115.323 116.963 -1.640 18277 15567 1 19 . 1 1 45 45 THR HA H 44 5.303 5.303 5.021 0.282 18277 15568 1 19 . 1 1 45 45 THR C C 44 171.480 171.480 172.898 -1.418 18277 15569 1 19 . 1 1 45 45 THR CA C 44 62.732 62.732 61.689 1.043 18277 15570 1 19 . 1 1 45 45 THR CB C 44 72.378 72.378 72.500 -0.122 18277 15571 1 19 . 1 1 45 45 THR H H 44 7.551 7.551 8.099 -0.548 18277 15572 1 19 . 1 1 46 46 LEU N N 45 130.323 130.323 125.981 4.342 18277 15573 1 19 . 1 1 46 46 LEU HA H 45 4.954 4.954 4.892 0.062 18277 15574 1 19 . 1 1 46 46 LEU C C 45 174.048 174.048 173.762 0.286 18277 15575 1 19 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.773 -0.416 18277 15576 1 19 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.555 -0.820 18277 15577 1 19 . 1 1 46 46 LEU H H 45 9.590 9.590 9.265 0.325 18277 15578 1 19 . 1 1 47 47 LEU N N 46 127.468 127.468 127.308 0.160 18277 15579 1 19 . 1 1 47 47 LEU HA H 46 5.150 5.150 4.917 0.233 18277 15580 1 19 . 1 1 47 47 LEU C C 46 173.309 173.309 174.634 -1.325 18277 15581 1 19 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.710 -0.123 18277 15582 1 19 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.282 1.841 18277 15583 1 19 . 1 1 47 47 LEU H H 46 9.673 9.673 9.156 0.517 18277 15584 1 19 . 1 1 48 48 GLU N N 47 131.371 131.371 127.913 3.458 18277 15585 1 19 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.548 0.674 18277 15586 1 19 . 1 1 48 48 GLU C C 47 173.970 173.970 174.861 -0.891 18277 15587 1 19 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.152 -1.479 18277 15588 1 19 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.569 1.341 18277 15589 1 19 . 1 1 48 48 GLU H H 47 9.400 9.400 8.369 1.031 18277 15590 1 19 . 1 1 49 49 LEU N N 48 129.742 129.742 127.965 1.777 18277 15591 1 19 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.653 0.334 18277 15592 1 19 . 1 1 49 49 LEU C C 48 174.115 174.115 174.684 -0.569 18277 15593 1 19 . 1 1 49 49 LEU CA C 48 54.673 54.673 53.656 1.017 18277 15594 1 19 . 1 1 49 49 LEU CB C 48 45.638 45.638 43.682 1.956 18277 15595 1 19 . 1 1 49 49 LEU H H 48 9.433 9.433 7.757 1.676 18277 15596 1 19 . 1 1 50 50 HIS N N 49 126.356 126.356 124.601 1.755 18277 15597 1 19 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.607 -0.187 18277 15598 1 19 . 1 1 50 50 HIS C C 49 174.293 174.293 174.392 -0.099 18277 15599 1 19 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.539 2.087 18277 15600 1 19 . 1 1 50 50 HIS CB C 49 33.850 33.850 32.500 1.350 18277 15601 1 19 . 1 1 50 50 HIS H H 49 9.575 9.575 8.626 0.949 18277 15602 1 19 . 1 1 51 51 ILE N N 50 123.679 123.679 125.934 -2.255 18277 15603 1 19 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.750 0.496 18277 15604 1 19 . 1 1 51 51 ILE C C 50 175.021 175.021 173.638 1.383 18277 15605 1 19 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.215 1.377 18277 15606 1 19 . 1 1 51 51 ILE CB C 50 40.771 40.771 39.977 0.794 18277 15607 1 19 . 1 1 51 51 ILE H H 50 8.991 8.991 8.648 0.343 18277 15608 1 19 . 1 1 52 52 TYR N N 51 126.281 126.281 124.734 1.547 18277 15609 1 19 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.415 0.056 18277 15610 1 19 . 1 1 52 52 TYR C C 51 171.145 171.145 173.431 -2.286 18277 15611 1 19 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.019 0.593 18277 15612 1 19 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.802 0.319 18277 15613 1 19 . 1 1 52 52 TYR H H 51 9.189 9.189 7.705 1.484 18277 15614 1 19 . 1 1 53 53 TYR N N 52 120.025 120.025 124.081 -4.056 18277 15615 1 19 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.259 -0.452 18277 15616 1 19 . 1 1 53 53 TYR C C 52 173.874 173.874 174.087 -0.213 18277 15617 1 19 . 1 1 53 53 TYR CA C 52 56.962 56.962 57.381 -0.419 18277 15618 1 19 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.695 -0.151 18277 15619 1 19 . 1 1 53 53 TYR H H 52 7.985 7.985 8.225 -0.240 18277 15620 1 19 . 1 1 54 54 ASP N N 53 127.411 127.411 122.431 4.980 18277 15621 1 19 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.771 -0.078 18277 15622 1 19 . 1 1 54 54 ASP C C 53 175.962 175.962 175.476 0.486 18277 15623 1 19 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.705 1.272 18277 15624 1 19 . 1 1 54 54 ASP CB C 53 43.028 43.028 43.638 -0.610 18277 15625 1 19 . 1 1 54 54 ASP H H 53 7.449 7.449 7.721 -0.272 18277 15626 1 19 . 1 1 55 55 HIS N N 54 124.486 124.486 121.518 2.968 18277 15627 1 19 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.514 -0.535 18277 15628 1 19 . 1 1 55 55 HIS C C 54 175.406 175.406 175.463 -0.057 18277 15629 1 19 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.939 1.678 18277 15630 1 19 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.567 1.850 18277 15631 1 19 . 1 1 55 55 HIS H H 54 8.512 8.512 8.753 -0.241 18277 15632 1 19 . 1 1 56 56 VAL N N 55 120.625 120.625 118.903 1.722 18277 15633 1 19 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.754 -0.218 18277 15634 1 19 . 1 1 56 56 VAL C C 55 177.379 177.379 176.152 1.227 18277 15635 1 19 . 1 1 56 56 VAL CA C 55 65.174 65.174 65.457 -0.283 18277 15636 1 19 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.826 -0.552 18277 15637 1 19 . 1 1 56 56 VAL H H 55 8.397 8.397 7.944 0.453 18277 15638 1 19 . 1 1 57 57 TYR N N 56 115.771 115.771 114.691 1.080 18277 15639 1 19 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.747 -0.481 18277 15640 1 19 . 1 1 57 57 TYR C C 56 174.645 174.645 174.888 -0.243 18277 15641 1 19 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.081 1.645 18277 15642 1 19 . 1 1 57 57 TYR CB C 56 39.566 39.566 38.991 0.575 18277 15643 1 19 . 1 1 57 57 TYR H H 56 7.641 7.641 7.609 0.032 18277 15644 1 19 . 1 1 58 58 HIS N N 57 116.177 116.177 116.145 0.032 18277 15645 1 19 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.145 -0.398 18277 15646 1 19 . 1 1 58 58 HIS C C 57 172.860 172.860 172.958 -0.098 18277 15647 1 19 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.057 -0.409 18277 15648 1 19 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.632 -2.330 18277 15649 1 19 . 1 1 58 58 HIS H H 57 7.764 7.764 7.659 0.105 18277 15650 1 19 . 1 1 59 59 VAL N N 58 104.729 104.729 112.102 -7.373 18277 15651 1 19 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.536 0.164 18277 15652 1 19 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.291 -1.959 18277 15653 1 19 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.421 0.792 18277 15654 1 19 . 1 1 59 59 VAL H H 58 6.310 6.310 7.227 -0.917 18277 15655 1 19 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.048 0.297 18277 15656 1 19 . 1 1 60 60 PRO C C 59 174.254 174.254 175.450 -1.196 18277 15657 1 19 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.885 -0.295 18277 15658 1 19 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.518 -1.742 18277 15659 1 19 . 1 1 61 61 SER N N 60 116.530 116.530 114.786 1.744 18277 15660 1 19 . 1 1 61 61 SER HA H 60 4.899 4.899 4.575 0.324 18277 15661 1 19 . 1 1 61 61 SER CA C 60 57.691 57.691 56.647 1.044 18277 15662 1 19 . 1 1 61 61 SER CB C 60 66.483 66.483 65.981 0.503 18277 15663 1 19 . 1 1 61 61 SER H H 60 8.854 8.854 8.201 0.653 18277 15664 1 19 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.558 1.146 18277 15665 1 19 . 1 1 62 62 ILE C C 61 176.160 176.160 174.222 1.938 18277 15666 1 19 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.016 -1.097 18277 15667 1 19 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.731 0.058 18277 15668 1 19 . 1 1 63 63 LYS N N 62 123.794 123.794 127.275 -3.481 18277 15669 1 19 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.742 0.952 18277 15670 1 19 . 1 1 63 63 LYS C C 62 174.598 174.598 174.368 0.230 18277 15671 1 19 . 1 1 63 63 LYS CA C 62 54.508 54.508 56.093 -1.585 18277 15672 1 19 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.051 0.652 18277 15673 1 19 . 1 1 63 63 LYS H H 62 9.011 9.011 8.966 0.045 18277 15674 1 19 . 1 1 64 64 PHE N N 63 116.267 116.267 121.844 -5.577 18277 15675 1 19 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.180 1.133 18277 15676 1 19 . 1 1 64 64 PHE C C 63 173.139 173.139 173.623 -0.484 18277 15677 1 19 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.161 1.432 18277 15678 1 19 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.875 0.066 18277 15679 1 19 . 1 1 64 64 PHE H H 63 9.776 9.776 7.803 1.973 18277 15680 1 19 . 1 1 65 65 ARG N N 64 116.428 116.428 118.340 -1.912 18277 15681 1 19 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.608 0.173 18277 15682 1 19 . 1 1 65 65 ARG C C 64 173.867 173.867 174.694 -0.827 18277 15683 1 19 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.993 0.764 18277 15684 1 19 . 1 1 65 65 ARG CB C 64 35.068 35.068 32.641 2.427 18277 15685 1 19 . 1 1 65 65 ARG H H 64 9.257 9.257 8.467 0.790 18277 15686 1 19 . 1 1 66 66 LEU N N 65 121.826 121.826 124.909 -3.083 18277 15687 1 19 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.755 0.694 18277 15688 1 19 . 1 1 66 66 LEU C C 65 174.002 174.002 176.705 -2.703 18277 15689 1 19 . 1 1 66 66 LEU CA C 65 53.826 53.826 56.242 -2.416 18277 15690 1 19 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.780 3.892 18277 15691 1 19 . 1 1 66 66 LEU H H 65 9.041 9.041 8.681 0.360 18277 15692 1 19 . 1 1 67 67 TRP N N 66 120.671 120.671 122.696 -2.025 18277 15693 1 19 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.137 0.186 18277 15694 1 19 . 1 1 67 67 TRP C C 66 175.763 175.763 175.223 0.540 18277 15695 1 19 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.486 -1.404 18277 15696 1 19 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.429 -0.258 18277 15697 1 19 . 1 1 67 67 TRP H H 66 9.366 9.366 9.346 0.020 18277 15698 1 19 . 1 1 68 68 SER N N 67 117.273 117.273 118.160 -0.887 18277 15699 1 19 . 1 1 68 68 SER HA H 67 5.297 5.297 5.167 0.130 18277 15700 1 19 . 1 1 68 68 SER C C 67 174.327 174.327 174.416 -0.089 18277 15701 1 19 . 1 1 68 68 SER CA C 67 56.883 56.883 56.527 0.356 18277 15702 1 19 . 1 1 68 68 SER CB C 67 65.230 65.230 63.680 1.550 18277 15703 1 19 . 1 1 68 68 SER H H 67 9.750 9.750 9.322 0.428 18277 15704 1 19 . 1 1 69 69 LEU N N 68 126.002 126.002 130.326 -4.324 18277 15705 1 19 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.463 0.295 18277 15706 1 19 . 1 1 69 69 LEU C C 68 176.022 176.022 176.142 -0.120 18277 15707 1 19 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.873 -1.494 18277 15708 1 19 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.414 0.957 18277 15709 1 19 . 1 1 69 69 LEU H H 68 8.119 8.119 8.049 0.070 18277 15710 1 19 . 1 1 70 70 ASP N N 69 124.828 124.828 125.652 -0.824 18277 15711 1 19 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.906 -0.125 18277 15712 1 19 . 1 1 70 70 ASP C C 69 176.396 176.396 175.965 0.431 18277 15713 1 19 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.531 0.852 18277 15714 1 19 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.924 -0.932 18277 15715 1 19 . 1 1 70 70 ASP H H 69 8.572 8.572 7.701 0.871 18277 15716 1 19 . 1 1 71 71 THR N N 70 114.913 114.913 114.893 0.020 18277 15717 1 19 . 1 1 71 71 THR HA H 70 4.531 4.531 4.517 0.014 18277 15718 1 19 . 1 1 71 71 THR C C 70 174.451 174.451 174.748 -0.297 18277 15719 1 19 . 1 1 71 71 THR CA C 70 61.742 61.742 61.932 -0.190 18277 15720 1 19 . 1 1 71 71 THR CB C 70 69.950 69.950 68.751 1.199 18277 15721 1 19 . 1 1 71 71 THR H H 70 8.403 8.403 8.484 -0.081 18277 15722 1 19 . 1 1 72 72 GLU N N 71 123.605 123.605 121.733 1.872 18277 15723 1 19 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.066 0.175 18277 15724 1 19 . 1 1 72 72 GLU C C 71 176.451 176.451 177.300 -0.849 18277 15725 1 19 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.952 -1.745 18277 15726 1 19 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.691 0.719 18277 15727 1 19 . 1 1 72 72 GLU H H 71 8.542 8.542 8.591 -0.049 18277 15728 1 19 . 1 1 73 73 GLU N N 72 119.641 119.641 117.166 2.475 18277 15729 1 19 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.378 -0.267 18277 15730 1 19 . 1 1 73 73 GLU C C 72 175.577 175.577 175.501 0.076 18277 15731 1 19 . 1 1 73 73 GLU CA C 72 57.097 57.097 55.890 1.207 18277 15732 1 19 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.060 -0.717 18277 15733 1 19 . 1 1 73 73 GLU H H 72 8.503 8.503 8.108 0.395 18277 15734 1 19 . 1 1 74 74 ASP N N 73 117.882 117.882 119.462 -1.580 18277 15735 1 19 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.375 0.196 18277 15736 1 19 . 1 1 74 74 ASP C C 73 176.077 176.077 175.530 0.547 18277 15737 1 19 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.090 -0.596 18277 15738 1 19 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.482 1.456 18277 15739 1 19 . 1 1 74 74 ASP H H 73 8.228 8.228 8.403 -0.175 18277 15740 1 19 . 1 1 75 75 ILE N N 74 120.809 120.809 112.492 8.317 18277 15741 1 19 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.330 -0.121 18277 15742 1 19 . 1 1 75 75 ILE C C 74 175.939 175.939 175.927 0.012 18277 15743 1 19 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.608 0.718 18277 15744 1 19 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.441 0.229 18277 15745 1 19 . 1 1 75 75 ILE H H 74 8.089 8.089 8.129 -0.040 18277 15746 1 19 . 1 1 76 76 SER N N 75 119.402 119.402 115.513 3.889 18277 15747 1 19 . 1 1 76 76 SER HA H 75 4.652 4.652 4.274 0.378 18277 15748 1 19 . 1 1 76 76 SER C C 75 174.313 174.313 174.277 0.036 18277 15749 1 19 . 1 1 76 76 SER CA C 75 58.778 58.778 58.795 -0.017 18277 15750 1 19 . 1 1 76 76 SER CB C 75 63.860 63.860 62.572 1.288 18277 15751 1 19 . 1 1 76 76 SER H H 75 8.449 8.449 8.078 0.371 18277 15752 1 19 . 1 1 77 77 SER N N 76 118.644 118.644 115.861 2.783 18277 15753 1 19 . 1 1 77 77 SER HA H 76 4.588 4.588 4.499 0.089 18277 15754 1 19 . 1 1 77 77 SER C C 76 173.094 173.094 173.371 -0.277 18277 15755 1 19 . 1 1 77 77 SER CA C 76 57.772 57.772 57.942 -0.170 18277 15756 1 19 . 1 1 77 77 SER CB C 76 64.461 64.461 64.072 0.389 18277 15757 1 19 . 1 1 77 77 SER H H 76 8.280 8.280 7.760 0.520 18277 15758 1 19 . 1 1 78 78 LEU N N 77 123.896 123.896 114.028 9.868 18277 15759 1 19 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.014 -0.016 18277 15760 1 19 . 1 1 78 78 LEU C C 77 177.081 177.081 175.145 1.936 18277 15761 1 19 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.646 0.362 18277 15762 1 19 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.348 -1.327 18277 15763 1 19 . 1 1 78 78 LEU H H 77 7.981 7.981 8.208 -0.227 18277 15764 1 19 . 1 1 79 79 ARG N N 78 123.195 123.195 121.390 1.805 18277 15765 1 19 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.775 0.184 18277 15766 1 19 . 1 1 79 79 ARG C C 78 174.994 174.994 174.584 0.410 18277 15767 1 19 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.048 -0.384 18277 15768 1 19 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.207 0.073 18277 15769 1 19 . 1 1 79 79 ARG H H 78 9.013 9.013 8.318 0.695 18277 15770 1 19 . 1 1 80 80 LEU N N 79 128.388 128.388 127.312 1.076 18277 15771 1 19 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.795 -0.017 18277 15772 1 19 . 1 1 80 80 LEU C C 79 177.216 177.216 175.739 1.477 18277 15773 1 19 . 1 1 80 80 LEU CA C 79 56.049 56.049 56.063 -0.014 18277 15774 1 19 . 1 1 80 80 LEU CB C 79 42.285 42.285 42.034 0.251 18277 15775 1 19 . 1 1 80 80 LEU H H 79 8.807 8.807 8.811 -0.004 18277 15776 1 19 . 1 1 81 81 LEU N N 80 127.521 127.521 128.073 -0.552 18277 15777 1 19 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.535 0.028 18277 15778 1 19 . 1 1 81 81 LEU C C 80 176.354 176.354 176.235 0.119 18277 15779 1 19 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.355 -0.194 18277 15780 1 19 . 1 1 81 81 LEU CB C 80 43.410 43.410 42.370 1.040 18277 15781 1 19 . 1 1 81 81 LEU H H 80 8.478 8.478 8.344 0.134 18277 15782 1 19 . 1 1 82 82 THR N N 81 121.108 121.108 121.487 -0.379 18277 15783 1 19 . 1 1 82 82 THR HA H 81 4.391 4.391 4.568 -0.177 18277 15784 1 19 . 1 1 82 82 THR C C 81 173.678 173.678 174.208 -0.530 18277 15785 1 19 . 1 1 82 82 THR CA C 81 61.112 61.112 61.665 -0.553 18277 15786 1 19 . 1 1 82 82 THR CB C 81 68.941 68.941 68.397 0.544 18277 15787 1 19 . 1 1 82 82 THR H H 81 8.735 8.735 8.462 0.273 18277 15788 1 19 . 1 1 83 83 LEU N N 82 125.276 125.276 125.280 -0.004 18277 15789 1 19 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.946 -0.175 18277 15790 1 19 . 1 1 83 83 LEU C C 82 177.192 177.192 175.995 1.197 18277 15791 1 19 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.002 0.412 18277 15792 1 19 . 1 1 83 83 LEU CB C 82 44.525 44.525 42.911 1.613 18277 15793 1 19 . 1 1 83 83 LEU H H 82 7.985 7.985 8.075 -0.090 18277 15794 1 19 . 1 1 84 84 SER N N 83 118.590 118.590 115.927 2.663 18277 15795 1 19 . 1 1 84 84 SER HA H 83 4.591 4.591 4.322 0.269 18277 15796 1 19 . 1 1 84 84 SER C C 83 174.317 174.317 175.100 -0.783 18277 15797 1 19 . 1 1 84 84 SER CA C 83 57.202 57.202 58.933 -1.731 18277 15798 1 19 . 1 1 84 84 SER CB C 83 65.345 65.345 64.091 1.254 18277 15799 1 19 . 1 1 84 84 SER H H 83 9.214 9.214 8.653 0.561 18277 15800 1 19 . 1 1 85 85 ASP N N 84 121.149 121.149 121.447 -0.298 18277 15801 1 19 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.442 -0.099 18277 15802 1 19 . 1 1 85 85 ASP C C 84 178.027 178.027 178.303 -0.276 18277 15803 1 19 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.385 1.406 18277 15804 1 19 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.675 1.311 18277 15805 1 19 . 1 1 85 85 ASP H H 84 9.014 9.014 8.852 0.162 18277 15806 1 19 . 1 1 86 86 SER N N 85 111.874 111.874 113.761 -1.887 18277 15807 1 19 . 1 1 86 86 SER HA H 85 4.110 4.110 4.206 -0.096 18277 15808 1 19 . 1 1 86 86 SER C C 85 177.696 177.696 176.389 1.307 18277 15809 1 19 . 1 1 86 86 SER CA C 85 61.560 61.560 61.539 0.021 18277 15810 1 19 . 1 1 86 86 SER CB C 85 62.355 62.355 62.723 -0.368 18277 15811 1 19 . 1 1 86 86 SER H H 85 8.467 8.467 8.445 0.022 18277 15812 1 19 . 1 1 87 87 GLU N N 86 122.948 122.948 120.624 2.324 18277 15813 1 19 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.191 -0.114 18277 15814 1 19 . 1 1 87 87 GLU C C 86 180.335 180.335 179.462 0.873 18277 15815 1 19 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.368 0.668 18277 15816 1 19 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.762 1.057 18277 15817 1 19 . 1 1 87 87 GLU H H 86 7.660 7.660 7.487 0.173 18277 15818 1 19 . 1 1 88 88 LEU N N 87 122.341 122.341 122.249 0.092 18277 15819 1 19 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.053 -0.170 18277 15820 1 19 . 1 1 88 88 LEU C C 87 178.818 178.818 178.371 0.447 18277 15821 1 19 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.464 0.610 18277 15822 1 19 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.468 0.903 18277 15823 1 19 . 1 1 88 88 LEU H H 87 8.878 8.878 8.552 0.326 18277 15824 1 19 . 1 1 89 89 ARG N N 88 115.874 115.874 118.447 -2.573 18277 15825 1 19 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.172 -0.046 18277 15826 1 19 . 1 1 89 89 ARG C C 88 176.552 176.552 177.903 -1.351 18277 15827 1 19 . 1 1 89 89 ARG CA C 88 58.720 58.720 57.338 1.382 18277 15828 1 19 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.574 0.211 18277 15829 1 19 . 1 1 89 89 ARG H H 88 7.956 7.956 8.502 -0.546 18277 15830 1 19 . 1 1 90 90 SER N N 89 112.295 112.295 113.902 -1.607 18277 15831 1 19 . 1 1 90 90 SER HA H 89 4.565 4.565 4.299 0.266 18277 15832 1 19 . 1 1 90 90 SER C C 89 174.817 174.817 175.331 -0.514 18277 15833 1 19 . 1 1 90 90 SER CA C 89 60.043 60.043 60.460 -0.417 18277 15834 1 19 . 1 1 90 90 SER CB C 89 63.858 63.858 63.228 0.630 18277 15835 1 19 . 1 1 90 90 SER H H 89 7.481 7.481 7.972 -0.491 18277 15836 1 19 . 1 1 91 91 ILE N N 90 116.577 116.577 114.291 2.286 18277 15837 1 19 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.360 0.078 18277 15838 1 19 . 1 1 91 91 ILE C C 90 174.636 174.636 175.635 -0.999 18277 15839 1 19 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.292 0.970 18277 15840 1 19 . 1 1 91 91 ILE CB C 90 40.609 40.609 39.093 1.516 18277 15841 1 19 . 1 1 91 91 ILE H H 90 7.372 7.372 7.219 0.153 18277 15842 1 19 . 1 1 92 92 LEU N N 91 119.723 119.723 119.317 0.406 18277 15843 1 19 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.353 0.288 18277 15844 1 19 . 1 1 92 92 LEU C C 91 175.178 175.178 176.257 -1.079 18277 15845 1 19 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.406 -1.593 18277 15846 1 19 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.723 0.950 18277 15847 1 19 . 1 1 92 92 LEU H H 91 7.900 7.900 7.714 0.186 18277 15848 1 19 . 1 1 93 93 ASN N N 92 119.687 119.687 118.642 1.045 18277 15849 1 19 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.895 0.088 18277 15850 1 19 . 1 1 93 93 ASN C C 92 174.978 174.978 174.467 0.511 18277 15851 1 19 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.248 -0.877 18277 15852 1 19 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.604 -1.873 18277 15853 1 19 . 1 1 93 93 ASN H H 92 8.916 8.916 8.442 0.474 18277 15854 1 19 . 1 1 94 94 LEU N N 93 121.052 121.052 123.885 -2.833 18277 15855 1 19 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.494 -0.548 18277 15856 1 19 . 1 1 94 94 LEU C C 93 177.367 177.367 178.526 -1.159 18277 15857 1 19 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.186 0.865 18277 15858 1 19 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.142 0.630 18277 15859 1 19 . 1 1 94 94 LEU H H 93 8.172 8.172 8.695 -0.523 18277 15860 1 19 . 1 1 95 95 GLY N N 94 105.340 105.340 108.069 -2.729 18277 15861 1 19 . 1 1 95 95 GLY C C 94 176.133 176.133 175.556 0.577 18277 15862 1 19 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.078 0.271 18277 15863 1 19 . 1 1 95 95 GLY H H 94 8.281 8.281 8.215 0.066 18277 15864 1 19 . 1 1 96 96 THR N N 95 117.040 117.040 117.006 0.034 18277 15865 1 19 . 1 1 96 96 THR HA H 95 4.242 4.242 4.469 -0.227 18277 15866 1 19 . 1 1 96 96 THR C C 95 175.349 175.349 174.634 0.715 18277 15867 1 19 . 1 1 96 96 THR CA C 95 61.859 61.859 60.816 1.043 18277 15868 1 19 . 1 1 96 96 THR CB C 95 68.399 68.399 69.433 -1.034 18277 15869 1 19 . 1 1 96 96 THR H H 95 8.419 8.419 7.680 0.739 18277 15870 1 19 . 1 1 97 97 PHE N N 96 122.590 122.590 122.048 0.542 18277 15871 1 19 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.667 0.055 18277 15872 1 19 . 1 1 97 97 PHE C C 96 174.704 174.704 175.732 -1.028 18277 15873 1 19 . 1 1 97 97 PHE CA C 96 58.599 58.599 58.093 0.506 18277 15874 1 19 . 1 1 97 97 PHE CB C 96 39.149 39.149 40.372 -1.223 18277 15875 1 19 . 1 1 97 97 PHE H H 96 8.517 8.517 8.451 0.066 18277 15876 1 19 . 1 1 98 98 SER N N 97 114.201 114.201 114.178 0.023 18277 15877 1 19 . 1 1 98 98 SER HA H 97 4.859 4.859 4.775 0.084 18277 15878 1 19 . 1 1 98 98 SER C C 97 173.002 173.002 172.950 0.052 18277 15879 1 19 . 1 1 98 98 SER CA C 97 57.346 57.346 58.017 -0.671 18277 15880 1 19 . 1 1 98 98 SER CB C 97 65.739 65.739 65.883 -0.144 18277 15881 1 19 . 1 1 98 98 SER H H 97 9.129 9.129 8.599 0.530 18277 15882 1 19 . 1 1 99 99 VAL N N 98 120.191 120.191 120.281 -0.090 18277 15883 1 19 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.614 0.905 18277 15884 1 19 . 1 1 99 99 VAL C C 98 175.574 175.574 174.428 1.146 18277 15885 1 19 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.787 -1.397 18277 15886 1 19 . 1 1 99 99 VAL CB C 98 35.426 35.426 36.367 -0.941 18277 15887 1 19 . 1 1 99 99 VAL H H 98 8.655 8.655 8.569 0.086 18277 15888 1 19 . 1 1 100 100 THR N N 99 120.623 120.623 120.366 0.257 18277 15889 1 19 . 1 1 100 100 THR HA H 99 4.729 4.729 4.632 0.097 18277 15890 1 19 . 1 1 100 100 THR C C 99 172.605 172.605 172.193 0.412 18277 15891 1 19 . 1 1 100 100 THR CA C 99 61.114 61.114 62.222 -1.108 18277 15892 1 19 . 1 1 100 100 THR CB C 99 71.850 71.850 70.483 1.367 18277 15893 1 19 . 1 1 100 100 THR H H 99 8.997 8.997 8.568 0.429 18277 15894 1 19 . 1 1 101 101 LEU N N 100 127.613 127.613 128.501 -0.888 18277 15895 1 19 . 1 1 101 101 LEU HA H 100 4.949 4.949 4.841 0.108 18277 15896 1 19 . 1 1 101 101 LEU C C 100 176.666 176.666 175.833 0.833 18277 15897 1 19 . 1 1 101 101 LEU CA C 100 54.689 54.689 54.013 0.676 18277 15898 1 19 . 1 1 101 101 LEU CB C 100 43.166 43.166 42.784 0.382 18277 15899 1 19 . 1 1 101 101 LEU H H 100 8.766 8.766 8.552 0.214 18277 15900 1 19 . 1 1 102 102 SER N N 101 119.771 119.771 121.541 -1.770 18277 15901 1 19 . 1 1 102 102 SER HA H 101 4.749 4.749 4.981 -0.232 18277 15902 1 19 . 1 1 102 102 SER C C 101 173.477 173.477 172.562 0.915 18277 15903 1 19 . 1 1 102 102 SER CA C 101 57.514 57.514 56.698 0.816 18277 15904 1 19 . 1 1 102 102 SER CB C 101 65.024 65.024 65.326 -0.301 18277 15905 1 19 . 1 1 102 102 SER H H 101 8.926 8.926 8.477 0.449 18277 15906 1 19 . 1 1 103 103 THR N N 102 117.853 117.853 114.386 3.467 18277 15907 1 19 . 1 1 103 103 THR HA H 102 4.618 4.618 5.004 -0.386 18277 15908 1 19 . 1 1 103 103 THR C C 102 174.020 174.020 173.700 0.320 18277 15909 1 19 . 1 1 103 103 THR CA C 102 61.991 61.991 60.675 1.316 18277 15910 1 19 . 1 1 103 103 THR CB C 102 69.972 69.972 71.456 -1.484 18277 15911 1 19 . 1 1 103 103 THR H H 102 8.409 8.409 8.218 0.191 18277 15912 1 19 . 1 1 104 104 ASP N N 103 125.295 125.295 122.011 3.284 18277 15913 1 19 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.821 -0.113 18277 15914 1 19 . 1 1 104 104 ASP C C 103 176.908 176.908 177.861 -0.953 18277 15915 1 19 . 1 1 104 104 ASP CA C 103 53.559 53.559 53.666 -0.107 18277 15916 1 19 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.475 -0.230 18277 15917 1 19 . 1 1 104 104 ASP H H 103 8.598 8.598 8.581 0.017 18277 15918 1 19 . 1 1 105 105 MET N N 104 122.470 122.470 121.311 1.159 18277 15919 1 19 . 1 1 105 105 MET HA H 104 4.270 4.270 4.283 -0.013 18277 15920 1 19 . 1 1 105 105 MET C C 104 177.354 177.354 176.745 0.609 18277 15921 1 19 . 1 1 105 105 MET CA C 104 57.300 57.300 57.526 -0.226 18277 15922 1 19 . 1 1 105 105 MET CB C 104 32.108 32.108 32.647 -0.539 18277 15923 1 19 . 1 1 105 105 MET H H 104 8.719 8.719 8.639 0.080 18277 15924 1 19 . 1 1 106 106 GLU N N 105 118.752 118.752 116.809 1.943 18277 15925 1 19 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.196 0.040 18277 15926 1 19 . 1 1 106 106 GLU C C 105 177.172 177.172 176.627 0.545 18277 15927 1 19 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.620 1.109 18277 15928 1 19 . 1 1 106 106 GLU CB C 105 29.776 29.776 30.072 -0.296 18277 15929 1 19 . 1 1 106 106 GLU H H 105 8.306 8.306 8.161 0.145 18277 15930 1 19 . 1 1 107 107 MET N N 106 116.736 116.736 115.626 1.110 18277 15931 1 19 . 1 1 107 107 MET HA H 106 4.329 4.329 4.153 0.176 18277 15932 1 19 . 1 1 107 107 MET C C 106 176.319 176.319 175.879 0.440 18277 15933 1 19 . 1 1 107 107 MET CA C 106 55.514 55.514 56.474 -0.959 18277 15934 1 19 . 1 1 107 107 MET CB C 106 31.566 31.566 31.434 0.132 18277 15935 1 19 . 1 1 107 107 MET H H 106 8.206 8.206 8.026 0.180 18277 15936 1 19 . 1 1 108 108 LYS N N 107 117.661 117.661 118.034 -0.373 18277 15937 1 19 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.266 -0.180 18277 15938 1 19 . 1 1 108 108 LYS C C 107 176.049 176.049 175.732 0.317 18277 15939 1 19 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.452 0.648 18277 15940 1 19 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.954 -2.064 18277 15941 1 19 . 1 1 108 108 LYS H H 107 8.382 8.382 8.404 -0.022 18277 15942 1 19 . 1 1 109 109 SER N N 108 113.019 113.019 112.976 0.043 18277 15943 1 19 . 1 1 109 109 SER HA H 108 4.566 4.566 4.658 -0.092 18277 15944 1 19 . 1 1 109 109 SER C C 108 172.969 172.969 172.571 0.398 18277 15945 1 19 . 1 1 109 109 SER CA C 108 56.997 56.997 56.596 0.401 18277 15946 1 19 . 1 1 109 109 SER CB C 108 65.035 65.035 65.722 -0.687 18277 15947 1 19 . 1 1 109 109 SER H H 108 7.892 7.892 7.484 0.408 18277 15948 1 19 . 1 1 110 110 VAL N N 109 121.915 121.915 119.389 2.526 18277 15949 1 19 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.830 -0.428 18277 15950 1 19 . 1 1 110 110 VAL C C 109 174.706 174.706 174.314 0.392 18277 15951 1 19 . 1 1 110 110 VAL CA C 109 61.974 61.974 59.918 2.056 18277 15952 1 19 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.054 -1.974 18277 15953 1 19 . 1 1 110 110 VAL H H 109 7.878 7.878 7.721 0.157 18277 15954 1 19 . 1 1 111 111 TYR N N 110 122.247 122.247 119.738 2.509 18277 15955 1 19 . 1 1 111 111 TYR HA H 110 4.336 4.336 5.002 -0.666 18277 15956 1 19 . 1 1 111 111 TYR C C 110 173.915 173.915 174.489 -0.574 18277 15957 1 19 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.945 1.318 18277 15958 1 19 . 1 1 111 111 TYR CB C 110 43.222 43.222 41.891 1.331 18277 15959 1 19 . 1 1 111 111 TYR H H 110 8.317 8.317 8.823 -0.506 18277 15960 1 19 . 1 1 112 112 TYR N N 111 117.096 117.096 118.203 -1.107 18277 15961 1 19 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.725 0.144 18277 15962 1 19 . 1 1 112 112 TYR C C 111 175.418 175.418 174.606 0.812 18277 15963 1 19 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.689 0.494 18277 15964 1 19 . 1 1 112 112 TYR CB C 111 38.681 38.681 37.785 0.896 18277 15965 1 19 . 1 1 112 112 TYR H H 111 8.690 8.690 8.488 0.202 18277 15966 1 19 . 1 1 113 113 TYR N N 112 120.208 120.208 122.197 -1.989 18277 15967 1 19 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.843 0.096 18277 15968 1 19 . 1 1 113 113 TYR C C 112 176.674 176.674 176.749 -0.075 18277 15969 1 19 . 1 1 113 113 TYR CA C 112 57.567 57.567 59.356 -1.790 18277 15970 1 19 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.405 2.519 18277 15971 1 19 . 1 1 113 113 TYR H H 112 9.374 9.374 8.758 0.616 18277 15972 1 19 . 1 1 114 114 ILE N N 113 121.490 121.490 125.574 -4.084 18277 15973 1 19 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.020 0.801 18277 15974 1 19 . 1 1 114 114 ILE C C 113 176.329 176.329 176.240 0.089 18277 15975 1 19 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.041 -2.002 18277 15976 1 19 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.585 -1.620 18277 15977 1 19 . 1 1 114 114 ILE H H 113 8.076 8.076 7.950 0.126 18277 15978 1 19 . 1 1 115 115 ASN N N 114 129.212 129.212 125.571 3.641 18277 15979 1 19 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.630 0.071 18277 15980 1 19 . 1 1 115 115 ASN C C 114 175.914 175.914 174.543 1.371 18277 15981 1 19 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.399 0.623 18277 15982 1 19 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.458 0.091 18277 15983 1 19 . 1 1 115 115 ASN H H 114 8.959 8.959 8.198 0.761 18277 15984 1 19 . 1 1 116 116 ASN N N 115 121.613 121.613 121.819 -0.206 18277 15985 1 19 . 1 1 116 116 ASN HA H 115 4.869 4.869 4.958 -0.089 18277 15986 1 19 . 1 1 116 116 ASN C C 115 178.040 178.040 174.437 3.603 18277 15987 1 19 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.795 -0.015 18277 15988 1 19 . 1 1 116 116 ASN CB C 115 39.096 39.096 38.385 0.711 18277 15989 1 19 . 1 1 116 116 ASN H H 115 8.464 8.464 8.480 -0.016 18277 15990 1 19 . 1 1 117 117 CYS N N 116 120.777 120.777 116.981 3.796 18277 15991 1 19 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.902 -0.158 18277 15992 1 19 . 1 1 117 117 CYS C C 116 174.635 174.635 174.154 0.481 18277 15993 1 19 . 1 1 117 117 CYS CA C 116 60.087 60.087 58.630 1.457 18277 15994 1 19 . 1 1 117 117 CYS CB C 116 27.456 27.456 28.106 -0.650 18277 15995 1 19 . 1 1 117 117 CYS H H 116 8.256 8.256 7.898 0.358 18277 15996 1 19 . 1 1 118 118 ASP N N 117 119.926 119.926 121.428 -1.502 18277 15997 1 19 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.652 0.247 18277 15998 1 19 . 1 1 118 118 ASP C C 117 176.225 176.225 175.672 0.553 18277 15999 1 19 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.042 0.368 18277 16000 1 19 . 1 1 118 118 ASP CB C 117 40.174 40.174 39.123 1.050 18277 16001 1 19 . 1 1 118 118 ASP H H 117 8.420 8.420 8.262 0.158 18277 16002 1 19 . 1 1 119 119 THR N N 118 116.185 116.185 116.977 -0.792 18277 16003 1 19 . 1 1 119 119 THR HA H 118 4.315 4.315 4.189 0.126 18277 16004 1 19 . 1 1 119 119 THR C C 118 175.349 175.349 175.610 -0.261 18277 16005 1 19 . 1 1 119 119 THR CA C 118 66.029 66.029 67.123 -1.094 18277 16006 1 19 . 1 1 119 119 THR CB C 118 69.654 69.654 69.528 0.126 18277 16007 1 19 . 1 1 119 119 THR H H 118 7.712 7.712 7.726 -0.014 18277 16008 1 19 . 1 1 120 120 ASP N N 119 120.938 120.938 121.335 -0.397 18277 16009 1 19 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.549 -0.016 18277 16010 1 19 . 1 1 120 120 ASP C C 119 177.991 177.991 177.625 0.366 18277 16011 1 19 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.155 -0.249 18277 16012 1 19 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.617 0.320 18277 16013 1 19 . 1 1 120 120 ASP H H 119 8.730 8.730 8.720 0.010 18277 16014 1 19 . 1 1 121 121 ALA N N 120 122.818 122.818 117.981 4.837 18277 16015 1 19 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.310 -0.132 18277 16016 1 19 . 1 1 121 121 ALA C C 120 178.787 178.787 178.536 0.251 18277 16017 1 19 . 1 1 121 121 ALA CA C 120 53.891 53.891 54.069 -0.178 18277 16018 1 19 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.903 -0.432 18277 16019 1 19 . 1 1 121 121 ALA H H 120 8.033 8.033 8.284 -0.251 18277 16020 1 19 . 1 1 122 122 ASN N N 121 116.085 116.085 116.919 -0.834 18277 16021 1 19 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.677 -0.043 18277 16022 1 19 . 1 1 122 122 ASN C C 121 176.235 176.235 177.229 -0.994 18277 16023 1 19 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.706 -0.210 18277 16024 1 19 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.101 -0.212 18277 16025 1 19 . 1 1 122 122 ASN H H 121 8.128 8.128 8.068 0.060 18277 16026 1 19 . 1 1 123 123 VAL N N 122 117.803 117.803 119.039 -1.236 18277 16027 1 19 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.834 0.128 18277 16028 1 19 . 1 1 123 123 VAL C C 122 176.973 176.973 177.758 -0.785 18277 16029 1 19 . 1 1 123 123 VAL CA C 122 63.916 63.916 65.478 -1.562 18277 16030 1 19 . 1 1 123 123 VAL CB C 122 32.895 32.895 31.881 1.014 18277 16031 1 19 . 1 1 123 123 VAL H H 122 8.262 8.262 8.446 -0.184 18277 16032 1 19 . 1 1 124 124 GLY N N 123 110.472 110.472 105.300 5.172 18277 16033 1 19 . 1 1 124 124 GLY C C 123 174.107 174.107 174.580 -0.473 18277 16034 1 19 . 1 1 124 124 GLY CA C 123 45.401 45.401 45.739 -0.338 18277 16035 1 19 . 1 1 124 124 GLY H H 123 8.172 8.172 8.180 -0.008 18277 16036 1 19 . 1 1 125 125 SER N N 124 113.065 113.065 117.184 -4.119 18277 16037 1 19 . 1 1 125 125 SER HA H 124 4.529 4.529 4.350 0.179 18277 16038 1 19 . 1 1 125 125 SER C C 124 174.664 174.664 175.279 -0.615 18277 16039 1 19 . 1 1 125 125 SER CA C 124 58.981 58.981 58.587 0.394 18277 16040 1 19 . 1 1 125 125 SER CB C 124 64.492 64.492 64.044 0.448 18277 16041 1 19 . 1 1 125 125 SER H H 124 8.139 8.139 8.089 0.050 18277 16042 1 19 . 1 1 126 126 ASP N N 125 121.312 121.312 123.055 -1.743 18277 16043 1 19 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.462 0.245 18277 16044 1 19 . 1 1 126 126 ASP C C 125 177.029 177.029 176.497 0.532 18277 16045 1 19 . 1 1 126 126 ASP CA C 125 54.232 54.232 54.663 -0.430 18277 16046 1 19 . 1 1 126 126 ASP CB C 125 40.878 40.878 41.412 -0.534 18277 16047 1 19 . 1 1 126 126 ASP H H 125 8.146 8.146 8.541 -0.395 18277 16048 1 19 . 1 1 127 127 VAL N N 126 123.444 123.444 118.643 4.801 18277 16049 1 19 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.804 0.022 18277 16050 1 19 . 1 1 127 127 VAL C C 126 177.304 177.304 177.984 -0.680 18277 16051 1 19 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.798 1.101 18277 16052 1 19 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.862 0.360 18277 16053 1 19 . 1 1 127 127 VAL H H 126 8.474 8.474 8.417 0.057 18277 16054 1 19 . 1 1 128 128 GLU N N 127 120.874 120.874 120.682 0.192 18277 16055 1 19 . 1 1 128 128 GLU HA H 127 3.933 3.933 3.994 -0.061 18277 16056 1 19 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.700 -0.040 18277 16057 1 19 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.289 -0.209 18277 16058 1 19 . 1 1 128 128 GLU H H 127 8.504 8.504 8.368 0.136 18277 16059 1 19 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.926 -0.177 18277 16060 1 19 . 1 1 129 129 HIS C C 128 174.898 174.898 174.337 0.561 18277 16061 1 19 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.236 2.212 18277 16062 1 19 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.178 0.867 18277 16063 1 19 . 1 1 130 130 TYR N N 129 122.615 122.615 122.576 0.039 18277 16064 1 19 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.303 -0.303 18277 16065 1 19 . 1 1 130 130 TYR C C 129 178.544 178.544 176.543 2.001 18277 16066 1 19 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.646 0.462 18277 16067 1 19 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.774 0.768 18277 16068 1 19 . 1 1 130 130 TYR H H 129 8.118 8.118 7.890 0.228 18277 16069 1 19 . 1 1 131 131 LEU N N 130 116.037 116.037 117.196 -1.159 18277 16070 1 19 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.283 0.066 18277 16071 1 19 . 1 1 131 131 LEU C C 130 179.368 179.368 179.165 0.203 18277 16072 1 19 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.799 1.017 18277 16073 1 19 . 1 1 131 131 LEU CB C 130 41.369 41.369 41.031 0.338 18277 16074 1 19 . 1 1 131 131 LEU H H 130 9.092 9.092 8.584 0.508 18277 16075 1 19 . 1 1 132 132 THR N N 131 113.629 113.629 107.932 5.697 18277 16076 1 19 . 1 1 132 132 THR HA H 131 4.007 4.007 4.232 -0.225 18277 16077 1 19 . 1 1 132 132 THR C C 131 177.255 177.255 176.335 0.920 18277 16078 1 19 . 1 1 132 132 THR CA C 131 66.505 66.505 64.903 1.601 18277 16079 1 19 . 1 1 132 132 THR CB C 131 68.052 68.052 68.958 -0.906 18277 16080 1 19 . 1 1 132 132 THR H H 131 8.129 8.129 8.010 0.119 18277 16081 1 19 . 1 1 133 133 ARG N N 132 124.720 124.720 121.121 3.599 18277 16082 1 19 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.276 -0.160 18277 16083 1 19 . 1 1 133 133 ARG C C 132 178.921 178.921 176.773 2.148 18277 16084 1 19 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.177 1.860 18277 16085 1 19 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.362 -0.088 18277 16086 1 19 . 1 1 133 133 ARG H H 132 8.187 8.187 8.272 -0.085 18277 16087 1 19 . 1 1 134 134 TRP N N 133 120.307 120.307 119.527 0.780 18277 16088 1 19 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.407 -0.180 18277 16089 1 19 . 1 1 134 134 TRP C C 133 177.823 177.823 177.018 0.805 18277 16090 1 19 . 1 1 134 134 TRP CA C 133 62.470 62.470 59.387 3.083 18277 16091 1 19 . 1 1 134 134 TRP CB C 133 28.755 28.755 30.337 -1.581 18277 16092 1 19 . 1 1 134 134 TRP H H 133 9.167 9.167 8.169 0.998 18277 16093 1 19 . 1 1 135 135 ILE N N 134 117.595 117.595 120.611 -3.016 18277 16094 1 19 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.408 0.175 18277 16095 1 19 . 1 1 135 135 ILE C C 134 176.333 176.333 176.918 -0.585 18277 16096 1 19 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.844 -3.136 18277 16097 1 19 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.057 -0.924 18277 16098 1 19 . 1 1 135 135 ILE H H 134 9.000 9.000 7.747 1.253 18277 16099 1 19 . 1 1 136 136 SER N N 135 116.548 116.548 113.448 3.100 18277 16100 1 19 . 1 1 136 136 SER HA H 135 3.931 3.931 3.811 0.120 18277 16101 1 19 . 1 1 136 136 SER C C 135 174.339 174.339 175.245 -0.906 18277 16102 1 19 . 1 1 136 136 SER CA C 135 62.535 62.535 59.604 2.931 18277 16103 1 19 . 1 1 136 136 SER CB C 135 62.820 62.820 62.358 0.461 18277 16104 1 19 . 1 1 136 136 SER H H 135 7.592 7.592 7.582 0.010 18277 16105 1 19 . 1 1 137 137 LEU N N 136 119.693 119.693 121.690 -1.997 18277 16106 1 19 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.235 -0.038 18277 16107 1 19 . 1 1 137 137 LEU C C 136 178.376 178.376 177.358 1.018 18277 16108 1 19 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.948 0.168 18277 16109 1 19 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.954 0.034 18277 16110 1 19 . 1 1 137 137 LEU H H 136 7.247 7.247 7.429 -0.182 18277 16111 1 19 . 1 1 138 138 TYR N N 137 116.295 116.295 117.108 -0.813 18277 16112 1 19 . 1 1 138 138 TYR HA H 137 3.644 3.644 3.885 -0.241 18277 16113 1 19 . 1 1 138 138 TYR C C 137 178.142 178.142 177.034 1.108 18277 16114 1 19 . 1 1 138 138 TYR CA C 137 61.396 61.396 58.593 2.803 18277 16115 1 19 . 1 1 138 138 TYR CB C 137 37.907 37.907 37.991 -0.084 18277 16116 1 19 . 1 1 138 138 TYR H H 137 8.057 8.057 7.947 0.110 18277 16117 1 19 . 1 1 139 139 ILE N N 138 117.755 117.755 121.738 -3.983 18277 16118 1 19 . 1 1 139 139 ILE HA H 138 3.818 3.818 3.071 0.747 18277 16119 1 19 . 1 1 139 139 ILE C C 138 176.943 176.943 176.572 0.371 18277 16120 1 19 . 1 1 139 139 ILE CA C 138 61.684 61.684 61.711 -0.027 18277 16121 1 19 . 1 1 139 139 ILE CB C 138 36.768 36.768 36.717 0.051 18277 16122 1 19 . 1 1 139 139 ILE H H 138 8.371 8.371 7.800 0.572 18277 16123 1 19 . 1 1 140 140 ARG N N 139 118.103 118.103 118.070 0.033 18277 16124 1 19 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.198 -0.123 18277 16125 1 19 . 1 1 140 140 ARG C C 139 176.776 176.776 177.456 -0.680 18277 16126 1 19 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.409 -0.880 18277 16127 1 19 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.723 0.118 18277 16128 1 19 . 1 1 140 140 ARG H H 139 6.762 6.762 7.962 -1.200 18277 16129 1 19 . 1 1 141 141 ILE N N 140 117.603 117.603 117.629 -0.026 18277 16130 1 19 . 1 1 141 141 ILE HA H 140 3.771 3.771 4.060 -0.289 18277 16131 1 19 . 1 1 141 141 ILE C C 140 176.448 176.448 176.171 0.277 18277 16132 1 19 . 1 1 141 141 ILE CA C 140 63.370 63.370 63.037 0.333 18277 16133 1 19 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.986 0.833 18277 16134 1 19 . 1 1 141 141 ILE H H 140 7.056 7.056 8.046 -0.990 18277 16135 1 19 . 1 1 142 142 PHE N N 141 114.969 114.969 117.969 -3.000 18277 16136 1 19 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.572 -0.178 18277 16137 1 19 . 1 1 142 142 PHE C C 141 175.503 175.503 174.950 0.553 18277 16138 1 19 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.751 -0.625 18277 16139 1 19 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.614 -1.177 18277 16140 1 19 . 1 1 142 142 PHE H H 141 7.287 7.287 7.907 -0.620 18277 16141 1 19 . 1 1 143 143 ASP N N 142 116.492 116.492 117.681 -1.189 18277 16142 1 19 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.907 -0.162 18277 16143 1 19 . 1 1 143 143 ASP C C 142 175.131 175.131 175.418 -0.287 18277 16144 1 19 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.754 0.259 18277 16145 1 19 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.632 0.364 18277 16146 1 19 . 1 1 143 143 ASP H H 142 7.697 7.697 8.097 -0.400 18277 16147 1 19 . 1 1 144 144 LEU N N 143 126.435 126.435 122.336 4.099 18277 16148 1 19 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.321 -0.135 18277 16149 1 19 . 1 1 144 144 LEU C C 143 177.297 177.297 176.802 0.495 18277 16150 1 19 . 1 1 144 144 LEU CA C 143 56.940 56.940 56.118 0.822 18277 16151 1 19 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.847 0.762 18277 16152 1 19 . 1 1 144 144 LEU H H 143 8.790 8.790 8.667 0.123 18277 16153 1 19 . 1 1 145 145 ASN N N 144 114.711 114.711 116.208 -1.497 18277 16154 1 19 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.702 0.121 18277 16155 1 19 . 1 1 145 145 ASN C C 144 174.879 174.879 174.516 0.363 18277 16156 1 19 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.528 -0.377 18277 16157 1 19 . 1 1 145 145 ASN CB C 144 39.695 39.695 39.395 0.300 18277 16158 1 19 . 1 1 145 145 ASN H H 144 8.569 8.569 7.976 0.593 18277 16159 1 19 . 1 1 146 146 PHE N N 145 121.472 121.472 121.653 -0.181 18277 16160 1 19 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.533 -0.024 18277 16161 1 19 . 1 1 146 146 PHE C C 145 173.397 173.397 173.360 0.037 18277 16162 1 19 . 1 1 146 146 PHE CA C 145 57.895 57.895 56.347 1.548 18277 16163 1 19 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.004 0.983 18277 16164 1 19 . 1 1 146 146 PHE H H 145 7.214 7.214 7.905 -0.691 18277 16165 1 19 . 1 1 147 147 VAL N N 146 128.813 128.813 124.785 4.028 18277 16166 1 19 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.427 -0.355 18277 16167 1 19 . 1 1 147 147 VAL CA C 146 58.698 58.698 58.569 0.129 18277 16168 1 19 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.795 1.674 18277 16169 1 19 . 1 1 147 147 VAL H H 146 7.666 7.666 8.023 -0.357 18277 16170 1 20 . 1 1 2 2 MET N N 1 121.461 121.461 117.991 3.470 18277 16171 1 20 . 1 1 2 2 MET HA H 1 4.581 4.581 4.514 0.067 18277 16172 1 20 . 1 1 2 2 MET C C 1 175.184 175.184 176.120 -0.936 18277 16173 1 20 . 1 1 2 2 MET CA C 1 55.447 55.447 56.818 -1.371 18277 16174 1 20 . 1 1 2 2 MET CB C 1 34.107 34.107 33.406 0.701 18277 16175 1 20 . 1 1 2 2 MET H H 1 8.431 8.431 8.505 -0.074 18277 16176 1 20 . 1 1 3 3 LEU N N 2 123.575 123.575 123.923 -0.348 18277 16177 1 20 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.454 0.016 18277 16178 1 20 . 1 1 3 3 LEU C C 2 176.479 176.479 177.315 -0.836 18277 16179 1 20 . 1 1 3 3 LEU CA C 2 54.544 54.544 56.108 -1.564 18277 16180 1 20 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.987 1.213 18277 16181 1 20 . 1 1 3 3 LEU H H 2 8.678 8.678 7.641 1.037 18277 16182 1 20 . 1 1 4 4 THR N N 3 119.326 119.326 118.449 0.877 18277 16183 1 20 . 1 1 4 4 THR HA H 3 4.398 4.398 4.698 -0.300 18277 16184 1 20 . 1 1 4 4 THR C C 3 173.920 173.920 175.830 -1.910 18277 16185 1 20 . 1 1 4 4 THR CA C 3 61.025 61.025 61.201 -0.176 18277 16186 1 20 . 1 1 4 4 THR CB C 3 71.090 71.090 70.592 0.498 18277 16187 1 20 . 1 1 4 4 THR H H 3 8.541 8.541 7.925 0.616 18277 16188 1 20 . 1 1 5 5 LEU N N 4 122.107 122.107 120.449 1.658 18277 16189 1 20 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.387 -0.099 18277 16190 1 20 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.187 0.905 18277 16191 1 20 . 1 1 5 5 LEU CB C 4 38.806 38.806 39.025 -0.219 18277 16192 1 20 . 1 1 5 5 LEU H H 4 8.777 8.777 8.678 0.099 18277 16193 1 20 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.389 -0.043 18277 16194 1 20 . 1 1 6 6 PRO C C 5 179.812 179.812 177.658 2.154 18277 16195 1 20 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.923 1.337 18277 16196 1 20 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.105 -0.046 18277 16197 1 20 . 1 1 7 7 GLU N N 6 117.744 117.744 117.266 0.478 18277 16198 1 20 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.217 -0.191 18277 16199 1 20 . 1 1 7 7 GLU C C 6 178.359 178.359 177.254 1.105 18277 16200 1 20 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.295 0.808 18277 16201 1 20 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.247 0.023 18277 16202 1 20 . 1 1 7 7 GLU H H 6 7.088 7.088 7.907 -0.819 18277 16203 1 20 . 1 1 8 8 TYR N N 7 120.825 120.825 118.106 2.719 18277 16204 1 20 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.452 -0.557 18277 16205 1 20 . 1 1 8 8 TYR C C 7 176.641 176.641 177.267 -0.626 18277 16206 1 20 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.686 1.833 18277 16207 1 20 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.346 -1.619 18277 16208 1 20 . 1 1 8 8 TYR H H 7 8.310 8.310 7.735 0.575 18277 16209 1 20 . 1 1 9 9 ASN N N 8 118.086 118.086 118.831 -0.745 18277 16210 1 20 . 1 1 9 9 ASN HA H 8 4.318 4.318 3.970 0.348 18277 16211 1 20 . 1 1 9 9 ASN C C 8 179.060 179.060 177.884 1.176 18277 16212 1 20 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.713 0.061 18277 16213 1 20 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.733 0.576 18277 16214 1 20 . 1 1 9 9 ASN H H 8 8.791 8.791 8.627 0.164 18277 16215 1 20 . 1 1 10 10 GLU N N 9 120.057 120.057 119.067 0.990 18277 16216 1 20 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.152 -0.039 18277 16217 1 20 . 1 1 10 10 GLU C C 9 177.853 177.853 177.070 0.783 18277 16218 1 20 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.530 -0.024 18277 16219 1 20 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.346 0.295 18277 16220 1 20 . 1 1 10 10 GLU H H 9 8.013 8.013 8.499 -0.486 18277 16221 1 20 . 1 1 11 11 GLN N N 10 116.468 116.468 116.450 0.018 18277 16222 1 20 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.584 -0.134 18277 16223 1 20 . 1 1 11 11 GLN C C 10 177.470 177.470 176.319 1.151 18277 16224 1 20 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.085 1.912 18277 16225 1 20 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.714 1.011 18277 16226 1 20 . 1 1 11 11 GLN H H 10 7.488 7.488 7.736 -0.248 18277 16227 1 20 . 1 1 12 12 ILE N N 11 124.393 124.393 122.289 2.104 18277 16228 1 20 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.731 0.097 18277 16229 1 20 . 1 1 12 12 ILE CA C 11 63.506 63.506 66.025 -2.519 18277 16230 1 20 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.387 -1.129 18277 16231 1 20 . 1 1 12 12 ILE H H 11 7.605 7.605 7.075 0.530 18277 16232 1 20 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.531 -0.294 18277 16233 1 20 . 1 1 13 13 PRO C C 12 179.113 179.113 177.273 1.840 18277 16234 1 20 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.596 1.831 18277 16235 1 20 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.717 0.360 18277 16236 1 20 . 1 1 14 14 ASN N N 13 115.499 115.499 118.037 -2.538 18277 16237 1 20 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.750 -0.158 18277 16238 1 20 . 1 1 14 14 ASN C C 13 178.208 178.208 177.122 1.086 18277 16239 1 20 . 1 1 14 14 ASN CA C 13 55.791 55.791 55.053 0.738 18277 16240 1 20 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.497 -0.453 18277 16241 1 20 . 1 1 14 14 ASN H H 13 7.793 7.793 8.130 -0.337 18277 16242 1 20 . 1 1 15 15 VAL N N 14 121.205 121.205 121.066 0.139 18277 16243 1 20 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.843 -0.143 18277 16244 1 20 . 1 1 15 15 VAL C C 14 176.999 176.999 177.381 -0.382 18277 16245 1 20 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.428 0.116 18277 16246 1 20 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.848 -0.423 18277 16247 1 20 . 1 1 15 15 VAL H H 14 7.704 7.704 7.818 -0.114 18277 16248 1 20 . 1 1 16 16 ARG N N 15 121.067 121.067 118.590 2.477 18277 16249 1 20 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.043 -0.329 18277 16250 1 20 . 1 1 16 16 ARG C C 15 178.150 178.150 177.679 0.471 18277 16251 1 20 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.573 0.947 18277 16252 1 20 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.881 0.334 18277 16253 1 20 . 1 1 16 16 ARG H H 15 8.855 8.855 7.787 1.068 18277 16254 1 20 . 1 1 17 17 SER N N 16 112.741 112.741 115.169 -2.428 18277 16255 1 20 . 1 1 17 17 SER HA H 16 4.245 4.245 4.348 -0.103 18277 16256 1 20 . 1 1 17 17 SER C C 16 177.177 177.177 176.862 0.315 18277 16257 1 20 . 1 1 17 17 SER CA C 16 61.756 61.756 60.841 0.915 18277 16258 1 20 . 1 1 17 17 SER CB C 16 62.785 62.785 62.982 -0.197 18277 16259 1 20 . 1 1 17 17 SER H H 16 7.987 7.987 7.622 0.365 18277 16260 1 20 . 1 1 18 18 LEU N N 17 122.703 122.703 120.615 2.088 18277 16261 1 20 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.274 -0.017 18277 16262 1 20 . 1 1 18 18 LEU C C 17 179.350 179.350 179.128 0.222 18277 16263 1 20 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.648 0.836 18277 16264 1 20 . 1 1 18 18 LEU CB C 17 42.475 42.475 40.928 1.547 18277 16265 1 20 . 1 1 18 18 LEU H H 17 7.728 7.728 7.702 0.026 18277 16266 1 20 . 1 1 19 19 LEU N N 18 116.536 116.536 120.972 -4.436 18277 16267 1 20 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.282 -0.051 18277 16268 1 20 . 1 1 19 19 LEU C C 18 178.556 178.556 178.976 -0.420 18277 16269 1 20 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.214 0.061 18277 16270 1 20 . 1 1 19 19 LEU CB C 18 41.716 41.716 40.937 0.779 18277 16271 1 20 . 1 1 19 19 LEU H H 18 8.367 8.367 8.028 0.339 18277 16272 1 20 . 1 1 20 20 THR N N 19 111.172 111.172 109.525 1.647 18277 16273 1 20 . 1 1 20 20 THR HA H 19 4.072 4.072 4.079 -0.007 18277 16274 1 20 . 1 1 20 20 THR C C 19 175.433 175.433 175.712 -0.279 18277 16275 1 20 . 1 1 20 20 THR CA C 19 65.421 65.421 64.672 0.749 18277 16276 1 20 . 1 1 20 20 THR CB C 19 69.541 69.541 68.800 0.741 18277 16277 1 20 . 1 1 20 20 THR H H 19 7.926 7.926 8.172 -0.246 18277 16278 1 20 . 1 1 21 21 LYS N N 20 117.696 117.696 118.826 -1.130 18277 16279 1 20 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.199 0.152 18277 16280 1 20 . 1 1 21 21 LYS C C 20 176.229 176.229 176.390 -0.161 18277 16281 1 20 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.474 0.040 18277 16282 1 20 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.730 -0.381 18277 16283 1 20 . 1 1 21 21 LYS H H 20 7.350 7.350 7.998 -0.648 18277 16284 1 20 . 1 1 22 22 TRP N N 21 123.258 123.258 121.659 1.599 18277 16285 1 20 . 1 1 22 22 TRP HA H 21 4.768 4.768 3.794 0.974 18277 16286 1 20 . 1 1 22 22 TRP C C 21 177.333 177.333 177.194 0.139 18277 16287 1 20 . 1 1 22 22 TRP CA C 21 54.466 54.466 56.355 -1.889 18277 16288 1 20 . 1 1 22 22 TRP CB C 21 28.882 28.882 27.799 1.083 18277 16289 1 20 . 1 1 22 22 TRP H H 21 7.710 7.710 7.274 0.436 18277 16290 1 20 . 1 1 23 23 ALA N N 22 133.336 133.336 129.444 3.892 18277 16291 1 20 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.069 0.077 18277 16292 1 20 . 1 1 23 23 ALA C C 22 177.467 177.467 177.369 0.098 18277 16293 1 20 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.834 1.021 18277 16294 1 20 . 1 1 23 23 ALA CB C 22 18.964 18.964 18.761 0.204 18277 16295 1 20 . 1 1 23 23 ALA H H 22 9.658 9.658 8.352 1.306 18277 16296 1 20 . 1 1 24 24 LYS N N 23 111.352 111.352 115.298 -3.946 18277 16297 1 20 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.021 -0.021 18277 16298 1 20 . 1 1 24 24 LYS C C 23 175.467 175.467 175.921 -0.454 18277 16299 1 20 . 1 1 24 24 LYS CA C 23 56.522 56.522 56.842 -0.320 18277 16300 1 20 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.165 1.141 18277 16301 1 20 . 1 1 24 24 LYS H H 23 5.756 5.756 8.145 -2.389 18277 16302 1 20 . 1 1 25 25 VAL N N 24 119.937 119.937 119.971 -0.034 18277 16303 1 20 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.747 -0.369 18277 16304 1 20 . 1 1 25 25 VAL C C 24 175.634 175.634 175.424 0.210 18277 16305 1 20 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.740 0.723 18277 16306 1 20 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.578 0.443 18277 16307 1 20 . 1 1 25 25 VAL H H 24 7.179 7.179 6.943 0.236 18277 16308 1 20 . 1 1 26 26 GLU N N 25 127.218 127.218 128.228 -1.010 18277 16309 1 20 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.421 -0.013 18277 16310 1 20 . 1 1 26 26 GLU C C 25 176.448 176.448 176.371 0.077 18277 16311 1 20 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.208 0.768 18277 16312 1 20 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.800 -0.394 18277 16313 1 20 . 1 1 26 26 GLU H H 25 9.017 9.017 8.846 0.171 18277 16314 1 20 . 1 1 27 27 ARG N N 26 117.397 117.397 120.153 -2.756 18277 16315 1 20 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.618 -0.091 18277 16316 1 20 . 1 1 27 27 ARG C C 26 173.508 173.508 174.153 -0.645 18277 16317 1 20 . 1 1 27 27 ARG CA C 26 56.216 56.216 55.008 1.208 18277 16318 1 20 . 1 1 27 27 ARG CB C 26 33.963 33.963 33.727 0.236 18277 16319 1 20 . 1 1 27 27 ARG H H 26 7.521 7.521 7.608 -0.087 18277 16320 1 20 . 1 1 28 28 ILE N N 27 123.297 123.297 124.802 -1.505 18277 16321 1 20 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.396 0.285 18277 16322 1 20 . 1 1 28 28 ILE C C 27 173.872 173.872 174.597 -0.725 18277 16323 1 20 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.526 0.564 18277 16324 1 20 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.755 1.930 18277 16325 1 20 . 1 1 28 28 ILE H H 27 8.662 8.662 8.501 0.161 18277 16326 1 20 . 1 1 29 29 GLN N N 28 125.810 125.810 128.240 -2.430 18277 16327 1 20 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.773 -0.021 18277 16328 1 20 . 1 1 29 29 GLN C C 28 174.329 174.329 173.983 0.346 18277 16329 1 20 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.007 0.062 18277 16330 1 20 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.149 -0.207 18277 16331 1 20 . 1 1 29 29 GLN H H 28 9.282 9.282 8.594 0.688 18277 16332 1 20 . 1 1 30 30 ASP N N 29 125.001 125.001 120.970 4.031 18277 16333 1 20 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.865 0.021 18277 16334 1 20 . 1 1 30 30 ASP C C 29 175.522 175.522 174.727 0.795 18277 16335 1 20 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.598 2.858 18277 16336 1 20 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.845 -2.522 18277 16337 1 20 . 1 1 30 30 ASP H H 29 8.666 8.666 8.472 0.194 18277 16338 1 20 . 1 1 31 31 VAL N N 30 116.978 116.978 113.615 3.363 18277 16339 1 20 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.513 0.131 18277 16340 1 20 . 1 1 31 31 VAL C C 30 175.448 175.448 174.833 0.615 18277 16341 1 20 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.383 -0.205 18277 16342 1 20 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.830 0.294 18277 16343 1 20 . 1 1 31 31 VAL H H 30 7.784 7.784 7.854 -0.070 18277 16344 1 20 . 1 1 32 32 GLN N N 31 121.763 121.763 122.869 -1.106 18277 16345 1 20 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.167 -0.134 18277 16346 1 20 . 1 1 32 32 GLN C C 31 176.620 176.620 175.458 1.162 18277 16347 1 20 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.510 0.673 18277 16348 1 20 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.016 0.026 18277 16349 1 20 . 1 1 32 32 GLN H H 31 8.515 8.515 8.582 -0.067 18277 16350 1 20 . 1 1 33 33 ASP N N 32 121.199 121.199 121.511 -0.312 18277 16351 1 20 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.517 0.458 18277 16352 1 20 . 1 1 33 33 ASP C C 32 176.998 176.998 174.764 2.234 18277 16353 1 20 . 1 1 33 33 ASP CA C 32 55.528 55.528 54.986 0.542 18277 16354 1 20 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.302 1.357 18277 16355 1 20 . 1 1 33 33 ASP H H 32 9.134 9.134 8.437 0.697 18277 16356 1 20 . 1 1 34 34 GLY N N 33 106.691 106.691 103.018 3.673 18277 16357 1 20 . 1 1 34 34 GLY C C 33 171.453 171.453 172.160 -0.707 18277 16358 1 20 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.854 1.511 18277 16359 1 20 . 1 1 34 34 GLY H H 33 8.104 8.104 7.839 0.265 18277 16360 1 20 . 1 1 35 35 LEU N N 34 119.801 119.801 119.717 0.084 18277 16361 1 20 . 1 1 35 35 LEU HA H 34 5.283 5.283 5.026 0.257 18277 16362 1 20 . 1 1 35 35 LEU C C 34 174.568 174.568 174.168 0.400 18277 16363 1 20 . 1 1 35 35 LEU CA C 34 53.568 53.568 54.914 -1.346 18277 16364 1 20 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.005 2.267 18277 16365 1 20 . 1 1 35 35 LEU H H 34 8.491 8.491 8.053 0.438 18277 16366 1 20 . 1 1 36 36 GLN N N 35 121.349 121.349 121.357 -0.008 18277 16367 1 20 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.485 -0.268 18277 16368 1 20 . 1 1 36 36 GLN C C 35 174.530 174.530 173.947 0.583 18277 16369 1 20 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.668 0.096 18277 16370 1 20 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.541 -0.061 18277 16371 1 20 . 1 1 36 36 GLN H H 35 8.992 8.992 8.851 0.141 18277 16372 1 20 . 1 1 37 37 LEU N N 36 126.882 126.882 126.102 0.780 18277 16373 1 20 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.009 0.349 18277 16374 1 20 . 1 1 37 37 LEU C C 36 174.519 174.519 176.380 -1.861 18277 16375 1 20 . 1 1 37 37 LEU CA C 36 54.931 54.931 52.023 2.908 18277 16376 1 20 . 1 1 37 37 LEU CB C 36 45.251 45.251 43.502 1.749 18277 16377 1 20 . 1 1 37 37 LEU H H 36 9.826 9.826 8.109 1.717 18277 16378 1 20 . 1 1 38 38 ASP N N 37 122.748 122.748 121.175 1.573 18277 16379 1 20 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.915 0.534 18277 16380 1 20 . 1 1 38 38 ASP C C 37 175.197 175.197 175.254 -0.057 18277 16381 1 20 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.774 -0.395 18277 16382 1 20 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.390 0.672 18277 16383 1 20 . 1 1 38 38 ASP H H 37 8.556 8.556 8.088 0.468 18277 16384 1 20 . 1 1 39 39 VAL N N 38 124.835 124.835 122.973 1.862 18277 16385 1 20 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.650 0.491 18277 16386 1 20 . 1 1 39 39 VAL C C 38 174.081 174.081 175.352 -1.271 18277 16387 1 20 . 1 1 39 39 VAL CA C 38 60.442 60.442 61.928 -1.486 18277 16388 1 20 . 1 1 39 39 VAL CB C 38 34.594 34.594 32.450 2.144 18277 16389 1 20 . 1 1 39 39 VAL H H 38 9.495 9.495 8.490 1.005 18277 16390 1 20 . 1 1 40 40 ARG N N 39 131.221 131.221 126.332 4.889 18277 16391 1 20 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.522 -0.006 18277 16392 1 20 . 1 1 40 40 ARG C C 39 174.144 174.144 175.561 -1.417 18277 16393 1 20 . 1 1 40 40 ARG CA C 39 53.504 53.504 53.831 -0.327 18277 16394 1 20 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.532 -0.413 18277 16395 1 20 . 1 1 40 40 ARG H H 39 9.046 9.046 7.945 1.101 18277 16396 1 20 . 1 1 41 41 LEU N N 40 129.501 129.501 123.152 6.349 18277 16397 1 20 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.058 -0.032 18277 16398 1 20 . 1 1 41 41 LEU C C 40 176.934 176.934 177.432 -0.498 18277 16399 1 20 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.021 0.842 18277 16400 1 20 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.458 1.290 18277 16401 1 20 . 1 1 41 41 LEU H H 40 7.786 7.786 8.342 -0.556 18277 16402 1 20 . 1 1 42 42 LYS N N 41 112.553 112.553 115.951 -3.398 18277 16403 1 20 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.488 0.206 18277 16404 1 20 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.134 -0.955 18277 16405 1 20 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.167 0.836 18277 16406 1 20 . 1 1 42 42 LYS H H 41 8.313 8.313 7.345 0.968 18277 16407 1 20 . 1 1 43 43 THR HA H 42 3.860 3.860 4.106 -0.246 18277 16408 1 20 . 1 1 43 43 THR C C 42 174.883 174.883 174.143 0.740 18277 16409 1 20 . 1 1 43 43 THR CA C 42 66.494 66.494 65.310 1.184 18277 16410 1 20 . 1 1 43 43 THR CB C 42 68.508 68.508 68.878 -0.370 18277 16411 1 20 . 1 1 44 44 ASP N N 43 114.795 114.795 117.137 -2.342 18277 16412 1 20 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.977 -0.148 18277 16413 1 20 . 1 1 44 44 ASP C C 43 176.791 176.791 175.129 1.662 18277 16414 1 20 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.692 -0.771 18277 16415 1 20 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.534 0.536 18277 16416 1 20 . 1 1 44 44 ASP H H 43 7.759 7.759 8.123 -0.364 18277 16417 1 20 . 1 1 45 45 THR N N 44 115.323 115.323 115.719 -0.396 18277 16418 1 20 . 1 1 45 45 THR HA H 44 5.303 5.303 4.848 0.455 18277 16419 1 20 . 1 1 45 45 THR C C 44 171.480 171.480 172.708 -1.228 18277 16420 1 20 . 1 1 45 45 THR CA C 44 62.732 62.732 61.171 1.561 18277 16421 1 20 . 1 1 45 45 THR CB C 44 72.378 72.378 72.177 0.201 18277 16422 1 20 . 1 1 45 45 THR H H 44 7.551 7.551 8.188 -0.637 18277 16423 1 20 . 1 1 46 46 LEU N N 45 130.323 130.323 126.120 4.203 18277 16424 1 20 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.007 -0.053 18277 16425 1 20 . 1 1 46 46 LEU C C 45 174.048 174.048 173.986 0.062 18277 16426 1 20 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.388 -0.031 18277 16427 1 20 . 1 1 46 46 LEU CB C 45 45.735 45.735 46.056 -0.321 18277 16428 1 20 . 1 1 46 46 LEU H H 45 9.590 9.590 8.647 0.943 18277 16429 1 20 . 1 1 47 47 LEU N N 46 127.468 127.468 127.427 0.041 18277 16430 1 20 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.084 0.066 18277 16431 1 20 . 1 1 47 47 LEU C C 46 173.309 173.309 175.117 -1.808 18277 16432 1 20 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.793 -0.206 18277 16433 1 20 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.395 1.727 18277 16434 1 20 . 1 1 47 47 LEU H H 46 9.673 9.673 9.005 0.668 18277 16435 1 20 . 1 1 48 48 GLU N N 47 131.371 131.371 128.009 3.362 18277 16436 1 20 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.804 0.418 18277 16437 1 20 . 1 1 48 48 GLU C C 47 173.970 173.970 174.726 -0.756 18277 16438 1 20 . 1 1 48 48 GLU CA C 47 54.673 54.673 55.843 -1.171 18277 16439 1 20 . 1 1 48 48 GLU CB C 47 31.910 31.910 31.195 0.715 18277 16440 1 20 . 1 1 48 48 GLU H H 47 9.400 9.400 8.422 0.978 18277 16441 1 20 . 1 1 49 49 LEU N N 48 129.742 129.742 127.420 2.322 18277 16442 1 20 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.377 0.610 18277 16443 1 20 . 1 1 49 49 LEU C C 48 174.115 174.115 174.722 -0.607 18277 16444 1 20 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.080 0.593 18277 16445 1 20 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.682 0.956 18277 16446 1 20 . 1 1 49 49 LEU H H 48 9.433 9.433 7.888 1.545 18277 16447 1 20 . 1 1 50 50 HIS N N 49 126.356 126.356 122.936 3.420 18277 16448 1 20 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.522 -0.102 18277 16449 1 20 . 1 1 50 50 HIS C C 49 174.293 174.293 174.648 -0.355 18277 16450 1 20 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.590 2.036 18277 16451 1 20 . 1 1 50 50 HIS CB C 49 33.850 33.850 31.535 2.315 18277 16452 1 20 . 1 1 50 50 HIS H H 49 9.575 9.575 8.685 0.890 18277 16453 1 20 . 1 1 51 51 ILE N N 50 123.679 123.679 125.968 -2.289 18277 16454 1 20 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.569 0.677 18277 16455 1 20 . 1 1 51 51 ILE C C 50 175.021 175.021 173.995 1.026 18277 16456 1 20 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.976 0.616 18277 16457 1 20 . 1 1 51 51 ILE CB C 50 40.771 40.771 40.076 0.695 18277 16458 1 20 . 1 1 51 51 ILE H H 50 8.991 8.991 8.668 0.323 18277 16459 1 20 . 1 1 52 52 TYR N N 51 126.281 126.281 125.711 0.570 18277 16460 1 20 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.290 0.181 18277 16461 1 20 . 1 1 52 52 TYR C C 51 171.145 171.145 173.386 -2.241 18277 16462 1 20 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.566 0.046 18277 16463 1 20 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.643 0.478 18277 16464 1 20 . 1 1 52 52 TYR H H 51 9.189 9.189 7.867 1.322 18277 16465 1 20 . 1 1 53 53 TYR N N 52 120.025 120.025 126.380 -6.355 18277 16466 1 20 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.138 -0.331 18277 16467 1 20 . 1 1 53 53 TYR C C 52 173.874 173.874 174.073 -0.199 18277 16468 1 20 . 1 1 53 53 TYR CA C 52 56.962 56.962 58.121 -1.159 18277 16469 1 20 . 1 1 53 53 TYR CB C 52 39.544 39.544 38.883 0.661 18277 16470 1 20 . 1 1 53 53 TYR H H 52 7.985 7.985 8.482 -0.497 18277 16471 1 20 . 1 1 54 54 ASP N N 53 127.411 127.411 127.210 0.201 18277 16472 1 20 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.746 -0.053 18277 16473 1 20 . 1 1 54 54 ASP C C 53 175.962 175.962 175.703 0.259 18277 16474 1 20 . 1 1 54 54 ASP CA C 53 52.977 52.977 52.014 0.963 18277 16475 1 20 . 1 1 54 54 ASP CB C 53 43.028 43.028 42.333 0.695 18277 16476 1 20 . 1 1 54 54 ASP H H 53 7.449 7.449 8.235 -0.786 18277 16477 1 20 . 1 1 55 55 HIS N N 54 124.486 124.486 123.591 0.895 18277 16478 1 20 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.302 -0.323 18277 16479 1 20 . 1 1 55 55 HIS C C 54 175.406 175.406 174.981 0.425 18277 16480 1 20 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.896 1.721 18277 16481 1 20 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.386 2.031 18277 16482 1 20 . 1 1 55 55 HIS H H 54 8.512 8.512 8.794 -0.282 18277 16483 1 20 . 1 1 56 56 VAL N N 55 120.625 120.625 119.334 1.291 18277 16484 1 20 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.674 -0.138 18277 16485 1 20 . 1 1 56 56 VAL C C 55 177.379 177.379 176.086 1.293 18277 16486 1 20 . 1 1 56 56 VAL CA C 55 65.174 65.174 64.038 1.136 18277 16487 1 20 . 1 1 56 56 VAL CB C 55 31.274 31.274 32.031 -0.757 18277 16488 1 20 . 1 1 56 56 VAL H H 55 8.397 8.397 7.584 0.813 18277 16489 1 20 . 1 1 57 57 TYR N N 56 115.771 115.771 115.058 0.713 18277 16490 1 20 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.769 -0.503 18277 16491 1 20 . 1 1 57 57 TYR C C 56 174.645 174.645 175.236 -0.591 18277 16492 1 20 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.270 1.456 18277 16493 1 20 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.548 0.018 18277 16494 1 20 . 1 1 57 57 TYR H H 56 7.641 7.641 7.216 0.425 18277 16495 1 20 . 1 1 58 58 HIS N N 57 116.177 116.177 116.262 -0.085 18277 16496 1 20 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.167 -0.420 18277 16497 1 20 . 1 1 58 58 HIS C C 57 172.860 172.860 173.592 -0.732 18277 16498 1 20 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.514 -0.866 18277 16499 1 20 . 1 1 58 58 HIS CB C 57 25.302 25.302 26.827 -1.525 18277 16500 1 20 . 1 1 58 58 HIS H H 57 7.764 7.764 7.854 -0.090 18277 16501 1 20 . 1 1 59 59 VAL N N 58 104.729 104.729 110.174 -5.445 18277 16502 1 20 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.607 0.093 18277 16503 1 20 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.672 -2.340 18277 16504 1 20 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.843 0.370 18277 16505 1 20 . 1 1 59 59 VAL H H 58 6.310 6.310 7.303 -0.993 18277 16506 1 20 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.058 0.287 18277 16507 1 20 . 1 1 60 60 PRO C C 59 174.254 174.254 175.047 -0.793 18277 16508 1 20 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.862 -0.272 18277 16509 1 20 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.516 -1.740 18277 16510 1 20 . 1 1 61 61 SER N N 60 116.530 116.530 114.804 1.726 18277 16511 1 20 . 1 1 61 61 SER HA H 60 4.899 4.899 4.686 0.213 18277 16512 1 20 . 1 1 61 61 SER CA C 60 57.691 57.691 55.870 1.821 18277 16513 1 20 . 1 1 61 61 SER CB C 60 66.483 66.483 64.489 1.994 18277 16514 1 20 . 1 1 61 61 SER H H 60 8.854 8.854 7.888 0.966 18277 16515 1 20 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.435 1.269 18277 16516 1 20 . 1 1 62 62 ILE C C 61 176.160 176.160 174.060 2.100 18277 16517 1 20 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.027 -1.109 18277 16518 1 20 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.480 0.309 18277 16519 1 20 . 1 1 63 63 LYS N N 62 123.794 123.794 126.667 -2.873 18277 16520 1 20 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.916 0.778 18277 16521 1 20 . 1 1 63 63 LYS C C 62 174.598 174.598 174.472 0.126 18277 16522 1 20 . 1 1 63 63 LYS CA C 62 54.508 54.508 56.073 -1.565 18277 16523 1 20 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.184 0.519 18277 16524 1 20 . 1 1 63 63 LYS H H 62 9.011 9.011 8.446 0.565 18277 16525 1 20 . 1 1 64 64 PHE N N 63 116.267 116.267 122.769 -6.502 18277 16526 1 20 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.381 0.932 18277 16527 1 20 . 1 1 64 64 PHE C C 63 173.139 173.139 173.578 -0.439 18277 16528 1 20 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.325 1.268 18277 16529 1 20 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.970 -0.029 18277 16530 1 20 . 1 1 64 64 PHE H H 63 9.776 9.776 8.006 1.770 18277 16531 1 20 . 1 1 65 65 ARG N N 64 116.428 116.428 118.785 -2.357 18277 16532 1 20 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.821 -0.040 18277 16533 1 20 . 1 1 65 65 ARG C C 64 173.867 173.867 174.685 -0.818 18277 16534 1 20 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.659 1.098 18277 16535 1 20 . 1 1 65 65 ARG CB C 64 35.068 35.068 33.618 1.450 18277 16536 1 20 . 1 1 65 65 ARG H H 64 9.257 9.257 8.371 0.886 18277 16537 1 20 . 1 1 66 66 LEU N N 65 121.826 121.826 123.134 -1.308 18277 16538 1 20 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.520 0.929 18277 16539 1 20 . 1 1 66 66 LEU C C 65 174.002 174.002 176.889 -2.887 18277 16540 1 20 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.386 -1.560 18277 16541 1 20 . 1 1 66 66 LEU CB C 65 46.672 46.672 43.013 3.659 18277 16542 1 20 . 1 1 66 66 LEU H H 65 9.041 9.041 8.756 0.285 18277 16543 1 20 . 1 1 67 67 TRP N N 66 120.671 120.671 121.568 -0.897 18277 16544 1 20 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.198 0.125 18277 16545 1 20 . 1 1 67 67 TRP C C 66 175.763 175.763 175.324 0.439 18277 16546 1 20 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.831 -1.749 18277 16547 1 20 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.835 -0.664 18277 16548 1 20 . 1 1 67 67 TRP H H 66 9.366 9.366 8.519 0.847 18277 16549 1 20 . 1 1 68 68 SER N N 67 117.273 117.273 117.313 -0.040 18277 16550 1 20 . 1 1 68 68 SER HA H 67 5.297 5.297 5.089 0.208 18277 16551 1 20 . 1 1 68 68 SER C C 67 174.327 174.327 174.140 0.187 18277 16552 1 20 . 1 1 68 68 SER CA C 67 56.883 56.883 56.346 0.537 18277 16553 1 20 . 1 1 68 68 SER CB C 67 65.230 65.230 63.971 1.258 18277 16554 1 20 . 1 1 68 68 SER H H 67 9.750 9.750 9.335 0.415 18277 16555 1 20 . 1 1 69 69 LEU N N 68 126.002 126.002 130.177 -4.175 18277 16556 1 20 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.467 0.291 18277 16557 1 20 . 1 1 69 69 LEU C C 68 176.022 176.022 176.325 -0.303 18277 16558 1 20 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.955 -1.576 18277 16559 1 20 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.517 0.854 18277 16560 1 20 . 1 1 69 69 LEU H H 68 8.119 8.119 8.697 -0.578 18277 16561 1 20 . 1 1 70 70 ASP N N 69 124.828 124.828 125.218 -0.390 18277 16562 1 20 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.938 -0.157 18277 16563 1 20 . 1 1 70 70 ASP C C 69 176.396 176.396 176.079 0.317 18277 16564 1 20 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.306 1.077 18277 16565 1 20 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.738 -0.746 18277 16566 1 20 . 1 1 70 70 ASP H H 69 8.572 8.572 8.052 0.520 18277 16567 1 20 . 1 1 71 71 THR N N 70 114.913 114.913 114.232 0.681 18277 16568 1 20 . 1 1 71 71 THR HA H 70 4.531 4.531 4.519 0.012 18277 16569 1 20 . 1 1 71 71 THR C C 70 174.451 174.451 174.778 -0.327 18277 16570 1 20 . 1 1 71 71 THR CA C 70 61.742 61.742 61.970 -0.228 18277 16571 1 20 . 1 1 71 71 THR CB C 70 69.950 69.950 68.766 1.184 18277 16572 1 20 . 1 1 71 71 THR H H 70 8.403 8.403 8.405 -0.002 18277 16573 1 20 . 1 1 72 72 GLU N N 71 123.605 123.605 122.039 1.566 18277 16574 1 20 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.074 0.167 18277 16575 1 20 . 1 1 72 72 GLU C C 71 176.451 176.451 177.122 -0.671 18277 16576 1 20 . 1 1 72 72 GLU CA C 71 57.207 57.207 59.084 -1.877 18277 16577 1 20 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.613 0.797 18277 16578 1 20 . 1 1 72 72 GLU H H 71 8.542 8.542 8.700 -0.158 18277 16579 1 20 . 1 1 73 73 GLU N N 72 119.641 119.641 116.375 3.266 18277 16580 1 20 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.421 -0.310 18277 16581 1 20 . 1 1 73 73 GLU C C 72 175.577 175.577 175.573 0.004 18277 16582 1 20 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.086 1.011 18277 16583 1 20 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.124 -0.781 18277 16584 1 20 . 1 1 73 73 GLU H H 72 8.503 8.503 8.195 0.308 18277 16585 1 20 . 1 1 74 74 ASP N N 73 117.882 117.882 117.585 0.297 18277 16586 1 20 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.453 0.118 18277 16587 1 20 . 1 1 74 74 ASP C C 73 176.077 176.077 175.916 0.161 18277 16588 1 20 . 1 1 74 74 ASP CA C 73 54.494 54.494 54.853 -0.359 18277 16589 1 20 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.374 1.564 18277 16590 1 20 . 1 1 74 74 ASP H H 73 8.228 8.228 8.178 0.050 18277 16591 1 20 . 1 1 75 75 ILE N N 74 120.809 120.809 113.449 7.360 18277 16592 1 20 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.365 -0.157 18277 16593 1 20 . 1 1 75 75 ILE C C 74 175.939 175.939 176.148 -0.209 18277 16594 1 20 . 1 1 75 75 ILE CA C 74 61.326 61.326 61.311 0.015 18277 16595 1 20 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.646 0.023 18277 16596 1 20 . 1 1 75 75 ILE H H 74 8.089 8.089 8.062 0.027 18277 16597 1 20 . 1 1 76 76 SER N N 75 119.402 119.402 114.593 4.809 18277 16598 1 20 . 1 1 76 76 SER HA H 75 4.652 4.652 4.190 0.462 18277 16599 1 20 . 1 1 76 76 SER C C 75 174.313 174.313 174.103 0.210 18277 16600 1 20 . 1 1 76 76 SER CA C 75 58.778 58.778 58.856 -0.078 18277 16601 1 20 . 1 1 76 76 SER CB C 75 63.860 63.860 62.244 1.616 18277 16602 1 20 . 1 1 76 76 SER H H 75 8.449 8.449 8.220 0.229 18277 16603 1 20 . 1 1 77 77 SER N N 76 118.644 118.644 115.861 2.783 18277 16604 1 20 . 1 1 77 77 SER HA H 76 4.588 4.588 4.627 -0.039 18277 16605 1 20 . 1 1 77 77 SER C C 76 173.094 173.094 173.234 -0.140 18277 16606 1 20 . 1 1 77 77 SER CA C 76 57.772 57.772 58.743 -0.971 18277 16607 1 20 . 1 1 77 77 SER CB C 76 64.461 64.461 64.069 0.392 18277 16608 1 20 . 1 1 77 77 SER H H 76 8.280 8.280 7.661 0.619 18277 16609 1 20 . 1 1 78 78 LEU N N 77 123.896 123.896 115.205 8.691 18277 16610 1 20 . 1 1 78 78 LEU HA H 77 4.998 4.998 4.996 0.002 18277 16611 1 20 . 1 1 78 78 LEU C C 77 177.081 177.081 175.180 1.901 18277 16612 1 20 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.536 0.472 18277 16613 1 20 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.214 -1.193 18277 16614 1 20 . 1 1 78 78 LEU H H 77 7.981 7.981 8.195 -0.214 18277 16615 1 20 . 1 1 79 79 ARG N N 78 123.195 123.195 120.701 2.494 18277 16616 1 20 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.806 0.153 18277 16617 1 20 . 1 1 79 79 ARG C C 78 174.994 174.994 174.724 0.270 18277 16618 1 20 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.160 -0.496 18277 16619 1 20 . 1 1 79 79 ARG CB C 78 33.280 33.280 32.668 0.612 18277 16620 1 20 . 1 1 79 79 ARG H H 78 9.013 9.013 8.629 0.384 18277 16621 1 20 . 1 1 80 80 LEU N N 79 128.388 128.388 127.307 1.081 18277 16622 1 20 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.744 0.034 18277 16623 1 20 . 1 1 80 80 LEU C C 79 177.216 177.216 175.690 1.526 18277 16624 1 20 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.893 0.156 18277 16625 1 20 . 1 1 80 80 LEU CB C 79 42.285 42.285 41.863 0.422 18277 16626 1 20 . 1 1 80 80 LEU H H 79 8.807 8.807 8.757 0.050 18277 16627 1 20 . 1 1 81 81 LEU N N 80 127.521 127.521 126.609 0.912 18277 16628 1 20 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.688 -0.125 18277 16629 1 20 . 1 1 81 81 LEU C C 80 176.354 176.354 176.236 0.118 18277 16630 1 20 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.141 0.020 18277 16631 1 20 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.661 -0.251 18277 16632 1 20 . 1 1 81 81 LEU H H 80 8.478 8.478 8.178 0.300 18277 16633 1 20 . 1 1 82 82 THR N N 81 121.108 121.108 113.922 7.186 18277 16634 1 20 . 1 1 82 82 THR HA H 81 4.391 4.391 4.747 -0.356 18277 16635 1 20 . 1 1 82 82 THR C C 81 173.678 173.678 173.704 -0.026 18277 16636 1 20 . 1 1 82 82 THR CA C 81 61.112 61.112 61.744 -0.632 18277 16637 1 20 . 1 1 82 82 THR CB C 81 68.941 68.941 69.504 -0.563 18277 16638 1 20 . 1 1 82 82 THR H H 81 8.735 8.735 8.135 0.600 18277 16639 1 20 . 1 1 83 83 LEU N N 82 125.276 125.276 123.339 1.937 18277 16640 1 20 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.942 -0.171 18277 16641 1 20 . 1 1 83 83 LEU C C 82 177.192 177.192 175.541 1.651 18277 16642 1 20 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.565 -0.151 18277 16643 1 20 . 1 1 83 83 LEU CB C 82 44.525 44.525 44.704 -0.179 18277 16644 1 20 . 1 1 83 83 LEU H H 82 7.985 7.985 8.089 -0.104 18277 16645 1 20 . 1 1 84 84 SER N N 83 118.590 118.590 115.621 2.969 18277 16646 1 20 . 1 1 84 84 SER HA H 83 4.591 4.591 4.362 0.230 18277 16647 1 20 . 1 1 84 84 SER C C 83 174.317 174.317 174.949 -0.632 18277 16648 1 20 . 1 1 84 84 SER CA C 83 57.202 57.202 58.549 -1.347 18277 16649 1 20 . 1 1 84 84 SER CB C 83 65.345 65.345 63.830 1.515 18277 16650 1 20 . 1 1 84 84 SER H H 83 9.214 9.214 8.361 0.853 18277 16651 1 20 . 1 1 85 85 ASP N N 84 121.149 121.149 120.591 0.558 18277 16652 1 20 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.529 -0.186 18277 16653 1 20 . 1 1 85 85 ASP C C 84 178.027 178.027 178.035 -0.008 18277 16654 1 20 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.161 1.630 18277 16655 1 20 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.840 1.147 18277 16656 1 20 . 1 1 85 85 ASP H H 84 9.014 9.014 8.798 0.216 18277 16657 1 20 . 1 1 86 86 SER N N 85 111.874 111.874 114.700 -2.826 18277 16658 1 20 . 1 1 86 86 SER HA H 85 4.110 4.110 4.262 -0.152 18277 16659 1 20 . 1 1 86 86 SER C C 85 177.696 177.696 175.424 2.272 18277 16660 1 20 . 1 1 86 86 SER CA C 85 61.560 61.560 60.864 0.696 18277 16661 1 20 . 1 1 86 86 SER CB C 85 62.355 62.355 62.921 -0.566 18277 16662 1 20 . 1 1 86 86 SER H H 85 8.467 8.467 8.218 0.249 18277 16663 1 20 . 1 1 87 87 GLU N N 86 122.948 122.948 118.074 4.874 18277 16664 1 20 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.282 -0.205 18277 16665 1 20 . 1 1 87 87 GLU C C 86 180.335 180.335 178.430 1.905 18277 16666 1 20 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.215 0.821 18277 16667 1 20 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.762 1.057 18277 16668 1 20 . 1 1 87 87 GLU H H 86 7.660 7.660 8.344 -0.684 18277 16669 1 20 . 1 1 88 88 LEU N N 87 122.341 122.341 121.161 1.180 18277 16670 1 20 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.271 -0.388 18277 16671 1 20 . 1 1 88 88 LEU C C 87 178.818 178.818 177.974 0.844 18277 16672 1 20 . 1 1 88 88 LEU CA C 87 58.074 58.074 56.960 1.114 18277 16673 1 20 . 1 1 88 88 LEU CB C 87 42.371 42.371 42.303 0.068 18277 16674 1 20 . 1 1 88 88 LEU H H 87 8.878 8.878 7.497 1.381 18277 16675 1 20 . 1 1 89 89 ARG N N 88 115.874 115.874 118.295 -2.421 18277 16676 1 20 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.019 0.107 18277 16677 1 20 . 1 1 89 89 ARG C C 88 176.552 176.552 177.473 -0.921 18277 16678 1 20 . 1 1 89 89 ARG CA C 88 58.720 58.720 57.676 1.044 18277 16679 1 20 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.591 0.194 18277 16680 1 20 . 1 1 89 89 ARG H H 88 7.956 7.956 8.393 -0.437 18277 16681 1 20 . 1 1 90 90 SER N N 89 112.295 112.295 114.297 -2.002 18277 16682 1 20 . 1 1 90 90 SER HA H 89 4.565 4.565 4.301 0.265 18277 16683 1 20 . 1 1 90 90 SER C C 89 174.817 174.817 175.610 -0.793 18277 16684 1 20 . 1 1 90 90 SER CA C 89 60.043 60.043 60.898 -0.855 18277 16685 1 20 . 1 1 90 90 SER CB C 89 63.858 63.858 63.381 0.477 18277 16686 1 20 . 1 1 90 90 SER H H 89 7.481 7.481 7.403 0.078 18277 16687 1 20 . 1 1 91 91 ILE N N 90 116.577 116.577 115.196 1.381 18277 16688 1 20 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.344 0.094 18277 16689 1 20 . 1 1 91 91 ILE C C 90 174.636 174.636 175.623 -0.987 18277 16690 1 20 . 1 1 91 91 ILE CA C 90 62.262 62.262 60.824 1.438 18277 16691 1 20 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.479 2.130 18277 16692 1 20 . 1 1 91 91 ILE H H 90 7.372 7.372 7.463 -0.091 18277 16693 1 20 . 1 1 92 92 LEU N N 91 119.723 119.723 119.365 0.358 18277 16694 1 20 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.368 0.273 18277 16695 1 20 . 1 1 92 92 LEU C C 91 175.178 175.178 176.406 -1.228 18277 16696 1 20 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.157 -1.344 18277 16697 1 20 . 1 1 92 92 LEU CB C 91 43.673 43.673 43.283 0.390 18277 16698 1 20 . 1 1 92 92 LEU H H 91 7.900 7.900 7.696 0.204 18277 16699 1 20 . 1 1 93 93 ASN N N 92 119.687 119.687 117.921 1.766 18277 16700 1 20 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.871 0.112 18277 16701 1 20 . 1 1 93 93 ASN C C 92 174.978 174.978 174.298 0.680 18277 16702 1 20 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.412 -1.041 18277 16703 1 20 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.508 -1.777 18277 16704 1 20 . 1 1 93 93 ASN H H 92 8.916 8.916 8.454 0.462 18277 16705 1 20 . 1 1 94 94 LEU N N 93 121.052 121.052 123.929 -2.877 18277 16706 1 20 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.444 -0.498 18277 16707 1 20 . 1 1 94 94 LEU C C 93 177.367 177.367 178.488 -1.121 18277 16708 1 20 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.024 1.027 18277 16709 1 20 . 1 1 94 94 LEU CB C 93 42.772 42.772 42.130 0.642 18277 16710 1 20 . 1 1 94 94 LEU H H 93 8.172 8.172 8.551 -0.379 18277 16711 1 20 . 1 1 95 95 GLY N N 94 105.340 105.340 106.638 -1.298 18277 16712 1 20 . 1 1 95 95 GLY C C 94 176.133 176.133 176.083 0.050 18277 16713 1 20 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.178 0.171 18277 16714 1 20 . 1 1 95 95 GLY H H 94 8.281 8.281 8.436 -0.155 18277 16715 1 20 . 1 1 96 96 THR N N 95 117.040 117.040 117.989 -0.949 18277 16716 1 20 . 1 1 96 96 THR HA H 95 4.242 4.242 4.492 -0.250 18277 16717 1 20 . 1 1 96 96 THR C C 95 175.349 175.349 175.346 0.003 18277 16718 1 20 . 1 1 96 96 THR CA C 95 61.859 61.859 61.629 0.230 18277 16719 1 20 . 1 1 96 96 THR CB C 95 68.399 68.399 69.784 -1.385 18277 16720 1 20 . 1 1 96 96 THR H H 95 8.419 8.419 8.213 0.206 18277 16721 1 20 . 1 1 97 97 PHE N N 96 122.590 122.590 121.431 1.159 18277 16722 1 20 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.344 0.378 18277 16723 1 20 . 1 1 97 97 PHE C C 96 174.704 174.704 175.534 -0.830 18277 16724 1 20 . 1 1 97 97 PHE CA C 96 58.599 58.599 59.802 -1.203 18277 16725 1 20 . 1 1 97 97 PHE CB C 96 39.149 39.149 39.636 -0.487 18277 16726 1 20 . 1 1 97 97 PHE H H 96 8.517 8.517 8.444 0.073 18277 16727 1 20 . 1 1 98 98 SER N N 97 114.201 114.201 112.692 1.509 18277 16728 1 20 . 1 1 98 98 SER HA H 97 4.859 4.859 4.742 0.117 18277 16729 1 20 . 1 1 98 98 SER C C 97 173.002 173.002 172.783 0.219 18277 16730 1 20 . 1 1 98 98 SER CA C 97 57.346 57.346 57.733 -0.387 18277 16731 1 20 . 1 1 98 98 SER CB C 97 65.739 65.739 66.436 -0.697 18277 16732 1 20 . 1 1 98 98 SER H H 97 9.129 9.129 8.573 0.556 18277 16733 1 20 . 1 1 99 99 VAL N N 98 120.191 120.191 120.008 0.183 18277 16734 1 20 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.510 1.010 18277 16735 1 20 . 1 1 99 99 VAL C C 98 175.574 175.574 174.137 1.437 18277 16736 1 20 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.799 -1.409 18277 16737 1 20 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.765 -0.339 18277 16738 1 20 . 1 1 99 99 VAL H H 98 8.655 8.655 8.567 0.088 18277 16739 1 20 . 1 1 100 100 THR N N 99 120.623 120.623 119.929 0.694 18277 16740 1 20 . 1 1 100 100 THR HA H 99 4.729 4.729 4.655 0.074 18277 16741 1 20 . 1 1 100 100 THR C C 99 172.605 172.605 172.285 0.320 18277 16742 1 20 . 1 1 100 100 THR CA C 99 61.114 61.114 61.557 -0.443 18277 16743 1 20 . 1 1 100 100 THR CB C 99 71.850 71.850 70.772 1.078 18277 16744 1 20 . 1 1 100 100 THR H H 99 8.997 8.997 8.765 0.232 18277 16745 1 20 . 1 1 101 101 LEU N N 100 127.613 127.613 129.390 -1.777 18277 16746 1 20 . 1 1 101 101 LEU HA H 100 4.949 4.949 5.000 -0.051 18277 16747 1 20 . 1 1 101 101 LEU C C 100 176.666 176.666 175.982 0.684 18277 16748 1 20 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.414 1.275 18277 16749 1 20 . 1 1 101 101 LEU CB C 100 43.166 43.166 42.684 0.482 18277 16750 1 20 . 1 1 101 101 LEU H H 100 8.766 8.766 8.539 0.227 18277 16751 1 20 . 1 1 102 102 SER N N 101 119.771 119.771 122.927 -3.156 18277 16752 1 20 . 1 1 102 102 SER HA H 101 4.749 4.749 4.875 -0.126 18277 16753 1 20 . 1 1 102 102 SER C C 101 173.477 173.477 172.869 0.608 18277 16754 1 20 . 1 1 102 102 SER CA C 101 57.514 57.514 56.928 0.586 18277 16755 1 20 . 1 1 102 102 SER CB C 101 65.024 65.024 65.799 -0.775 18277 16756 1 20 . 1 1 102 102 SER H H 101 8.926 8.926 8.980 -0.054 18277 16757 1 20 . 1 1 103 103 THR N N 102 117.853 117.853 120.073 -2.220 18277 16758 1 20 . 1 1 103 103 THR HA H 102 4.618 4.618 4.838 -0.220 18277 16759 1 20 . 1 1 103 103 THR C C 102 174.020 174.020 172.709 1.311 18277 16760 1 20 . 1 1 103 103 THR CA C 102 61.991 61.991 61.406 0.585 18277 16761 1 20 . 1 1 103 103 THR CB C 102 69.972 69.972 72.049 -2.077 18277 16762 1 20 . 1 1 103 103 THR H H 102 8.409 8.409 8.399 0.010 18277 16763 1 20 . 1 1 104 104 ASP N N 103 125.295 125.295 124.140 1.155 18277 16764 1 20 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.963 -0.255 18277 16765 1 20 . 1 1 104 104 ASP C C 103 176.908 176.908 177.541 -0.633 18277 16766 1 20 . 1 1 104 104 ASP CA C 103 53.559 53.559 52.355 1.204 18277 16767 1 20 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.755 -0.510 18277 16768 1 20 . 1 1 104 104 ASP H H 103 8.598 8.598 8.414 0.184 18277 16769 1 20 . 1 1 105 105 MET N N 104 122.470 122.470 123.311 -0.841 18277 16770 1 20 . 1 1 105 105 MET HA H 104 4.270 4.270 4.200 0.070 18277 16771 1 20 . 1 1 105 105 MET C C 104 177.354 177.354 176.612 0.742 18277 16772 1 20 . 1 1 105 105 MET CA C 104 57.300 57.300 57.927 -0.627 18277 16773 1 20 . 1 1 105 105 MET CB C 104 32.108 32.108 32.650 -0.541 18277 16774 1 20 . 1 1 105 105 MET H H 104 8.719 8.719 8.425 0.294 18277 16775 1 20 . 1 1 106 106 GLU N N 105 118.752 118.752 118.494 0.258 18277 16776 1 20 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.097 0.139 18277 16777 1 20 . 1 1 106 106 GLU C C 105 177.172 177.172 177.138 0.034 18277 16778 1 20 . 1 1 106 106 GLU CA C 105 57.729 57.729 57.603 0.126 18277 16779 1 20 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.751 0.025 18277 16780 1 20 . 1 1 106 106 GLU H H 105 8.306 8.306 8.161 0.145 18277 16781 1 20 . 1 1 107 107 MET N N 106 116.736 116.736 115.093 1.643 18277 16782 1 20 . 1 1 107 107 MET HA H 106 4.329 4.329 4.133 0.196 18277 16783 1 20 . 1 1 107 107 MET C C 106 176.319 176.319 175.705 0.614 18277 16784 1 20 . 1 1 107 107 MET CA C 106 55.514 55.514 56.351 -0.837 18277 16785 1 20 . 1 1 107 107 MET CB C 106 31.566 31.566 31.192 0.374 18277 16786 1 20 . 1 1 107 107 MET H H 106 8.206 8.206 8.072 0.134 18277 16787 1 20 . 1 1 108 108 LYS N N 107 117.661 117.661 119.202 -1.541 18277 16788 1 20 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.342 -0.256 18277 16789 1 20 . 1 1 108 108 LYS C C 107 176.049 176.049 176.373 -0.324 18277 16790 1 20 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.724 0.376 18277 16791 1 20 . 1 1 108 108 LYS CB C 107 30.890 30.890 32.933 -2.043 18277 16792 1 20 . 1 1 108 108 LYS H H 107 8.382 8.382 8.162 0.220 18277 16793 1 20 . 1 1 109 109 SER N N 108 113.019 113.019 116.301 -3.282 18277 16794 1 20 . 1 1 109 109 SER HA H 108 4.566 4.566 4.477 0.089 18277 16795 1 20 . 1 1 109 109 SER C C 108 172.969 172.969 172.769 0.200 18277 16796 1 20 . 1 1 109 109 SER CA C 108 56.997 56.997 57.903 -0.906 18277 16797 1 20 . 1 1 109 109 SER CB C 108 65.035 65.035 64.788 0.247 18277 16798 1 20 . 1 1 109 109 SER H H 108 7.892 7.892 7.765 0.127 18277 16799 1 20 . 1 1 110 110 VAL N N 109 121.915 121.915 121.136 0.779 18277 16800 1 20 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.571 -0.169 18277 16801 1 20 . 1 1 110 110 VAL C C 109 174.706 174.706 173.532 1.174 18277 16802 1 20 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.885 1.089 18277 16803 1 20 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.635 -2.555 18277 16804 1 20 . 1 1 110 110 VAL H H 109 7.878 7.878 7.842 0.036 18277 16805 1 20 . 1 1 111 111 TYR N N 110 122.247 122.247 117.619 4.628 18277 16806 1 20 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.741 -0.405 18277 16807 1 20 . 1 1 111 111 TYR C C 110 173.915 173.915 173.694 0.221 18277 16808 1 20 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.985 1.278 18277 16809 1 20 . 1 1 111 111 TYR CB C 110 43.222 43.222 41.205 2.017 18277 16810 1 20 . 1 1 111 111 TYR H H 110 8.317 8.317 8.627 -0.310 18277 16811 1 20 . 1 1 112 112 TYR N N 111 117.096 117.096 118.529 -1.433 18277 16812 1 20 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.898 -0.029 18277 16813 1 20 . 1 1 112 112 TYR C C 111 175.418 175.418 175.312 0.106 18277 16814 1 20 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.523 0.660 18277 16815 1 20 . 1 1 112 112 TYR CB C 111 38.681 38.681 37.658 1.023 18277 16816 1 20 . 1 1 112 112 TYR H H 111 8.690 8.690 8.764 -0.074 18277 16817 1 20 . 1 1 113 113 TYR N N 112 120.208 120.208 123.160 -2.952 18277 16818 1 20 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.869 0.070 18277 16819 1 20 . 1 1 113 113 TYR C C 112 176.674 176.674 176.450 0.224 18277 16820 1 20 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.824 -1.257 18277 16821 1 20 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.344 2.580 18277 16822 1 20 . 1 1 113 113 TYR H H 112 9.374 9.374 9.061 0.313 18277 16823 1 20 . 1 1 114 114 ILE N N 113 121.490 121.490 125.435 -3.945 18277 16824 1 20 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.126 0.695 18277 16825 1 20 . 1 1 114 114 ILE C C 113 176.329 176.329 175.999 0.330 18277 16826 1 20 . 1 1 114 114 ILE CA C 113 60.039 60.039 61.652 -1.613 18277 16827 1 20 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.593 -1.628 18277 16828 1 20 . 1 1 114 114 ILE H H 113 8.076 8.076 7.947 0.129 18277 16829 1 20 . 1 1 115 115 ASN N N 114 129.212 129.212 125.433 3.779 18277 16830 1 20 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.621 0.080 18277 16831 1 20 . 1 1 115 115 ASN C C 114 175.914 175.914 174.648 1.266 18277 16832 1 20 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.604 0.418 18277 16833 1 20 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.796 -0.247 18277 16834 1 20 . 1 1 115 115 ASN H H 114 8.959 8.959 8.217 0.742 18277 16835 1 20 . 1 1 116 116 ASN N N 115 121.613 121.613 122.533 -0.920 18277 16836 1 20 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.005 -0.136 18277 16837 1 20 . 1 1 116 116 ASN C C 115 178.040 178.040 175.943 2.097 18277 16838 1 20 . 1 1 116 116 ASN CA C 115 52.780 52.780 53.436 -0.656 18277 16839 1 20 . 1 1 116 116 ASN CB C 115 39.096 39.096 39.547 -0.452 18277 16840 1 20 . 1 1 116 116 ASN H H 115 8.464 8.464 8.626 -0.162 18277 16841 1 20 . 1 1 117 117 CYS N N 116 120.777 120.777 116.631 4.146 18277 16842 1 20 . 1 1 117 117 CYS HA H 116 3.744 3.744 4.007 -0.263 18277 16843 1 20 . 1 1 117 117 CYS C C 116 174.635 174.635 174.839 -0.204 18277 16844 1 20 . 1 1 117 117 CYS CA C 116 60.087 60.087 59.769 0.318 18277 16845 1 20 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.486 -0.030 18277 16846 1 20 . 1 1 117 117 CYS H H 116 8.256 8.256 7.953 0.303 18277 16847 1 20 . 1 1 118 118 ASP N N 117 119.926 119.926 121.096 -1.170 18277 16848 1 20 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.829 0.070 18277 16849 1 20 . 1 1 118 118 ASP C C 117 176.225 176.225 176.062 0.163 18277 16850 1 20 . 1 1 118 118 ASP CA C 117 53.410 53.410 54.879 -1.469 18277 16851 1 20 . 1 1 118 118 ASP CB C 117 40.174 40.174 39.811 0.363 18277 16852 1 20 . 1 1 118 118 ASP H H 117 8.420 8.420 8.434 -0.014 18277 16853 1 20 . 1 1 119 119 THR N N 118 116.185 116.185 115.306 0.879 18277 16854 1 20 . 1 1 119 119 THR HA H 118 4.315 4.315 4.290 0.025 18277 16855 1 20 . 1 1 119 119 THR C C 118 175.349 175.349 175.539 -0.190 18277 16856 1 20 . 1 1 119 119 THR CA C 118 66.029 66.029 67.046 -1.017 18277 16857 1 20 . 1 1 119 119 THR CB C 118 69.654 69.654 69.780 -0.126 18277 16858 1 20 . 1 1 119 119 THR H H 118 7.712 7.712 7.314 0.398 18277 16859 1 20 . 1 1 120 120 ASP N N 119 120.938 120.938 121.696 -0.758 18277 16860 1 20 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.620 -0.087 18277 16861 1 20 . 1 1 120 120 ASP C C 119 177.991 177.991 177.574 0.417 18277 16862 1 20 . 1 1 120 120 ASP CA C 119 56.906 56.906 56.967 -0.061 18277 16863 1 20 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.630 0.307 18277 16864 1 20 . 1 1 120 120 ASP H H 119 8.730 8.730 8.843 -0.113 18277 16865 1 20 . 1 1 121 121 ALA N N 120 122.818 122.818 120.214 2.604 18277 16866 1 20 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.250 -0.072 18277 16867 1 20 . 1 1 121 121 ALA C C 120 178.787 178.787 178.525 0.262 18277 16868 1 20 . 1 1 121 121 ALA CA C 120 53.891 53.891 54.031 -0.140 18277 16869 1 20 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.724 -0.253 18277 16870 1 20 . 1 1 121 121 ALA H H 120 8.033 8.033 8.647 -0.614 18277 16871 1 20 . 1 1 122 122 ASN N N 121 116.085 116.085 116.653 -0.568 18277 16872 1 20 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.786 -0.152 18277 16873 1 20 . 1 1 122 122 ASN C C 121 176.235 176.235 177.488 -1.253 18277 16874 1 20 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.627 -0.131 18277 16875 1 20 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.691 -0.802 18277 16876 1 20 . 1 1 122 122 ASN H H 121 8.128 8.128 7.947 0.181 18277 16877 1 20 . 1 1 123 123 VAL N N 122 117.803 117.803 118.006 -0.203 18277 16878 1 20 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.969 -0.007 18277 16879 1 20 . 1 1 123 123 VAL C C 122 176.973 176.973 177.317 -0.344 18277 16880 1 20 . 1 1 123 123 VAL CA C 122 63.916 63.916 64.012 -0.096 18277 16881 1 20 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.025 0.870 18277 16882 1 20 . 1 1 123 123 VAL H H 122 8.262 8.262 8.378 -0.116 18277 16883 1 20 . 1 1 124 124 GLY N N 123 110.472 110.472 105.984 4.488 18277 16884 1 20 . 1 1 124 124 GLY C C 123 174.107 174.107 174.595 -0.488 18277 16885 1 20 . 1 1 124 124 GLY CA C 123 45.401 45.401 45.704 -0.303 18277 16886 1 20 . 1 1 124 124 GLY H H 123 8.172 8.172 7.900 0.272 18277 16887 1 20 . 1 1 125 125 SER N N 124 113.065 113.065 120.088 -7.023 18277 16888 1 20 . 1 1 125 125 SER HA H 124 4.529 4.529 4.274 0.255 18277 16889 1 20 . 1 1 125 125 SER C C 124 174.664 174.664 174.598 0.066 18277 16890 1 20 . 1 1 125 125 SER CA C 124 58.981 58.981 59.447 -0.466 18277 16891 1 20 . 1 1 125 125 SER CB C 124 64.492 64.492 64.390 0.102 18277 16892 1 20 . 1 1 125 125 SER H H 124 8.139 8.139 8.452 -0.313 18277 16893 1 20 . 1 1 126 126 ASP N N 125 121.312 121.312 122.125 -0.813 18277 16894 1 20 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.420 0.287 18277 16895 1 20 . 1 1 126 126 ASP C C 125 177.029 177.029 176.009 1.020 18277 16896 1 20 . 1 1 126 126 ASP CA C 125 54.232 54.232 54.913 -0.681 18277 16897 1 20 . 1 1 126 126 ASP CB C 125 40.878 40.878 39.465 1.413 18277 16898 1 20 . 1 1 126 126 ASP H H 125 8.146 8.146 8.602 -0.456 18277 16899 1 20 . 1 1 127 127 VAL N N 126 123.444 123.444 115.935 7.509 18277 16900 1 20 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.754 0.072 18277 16901 1 20 . 1 1 127 127 VAL C C 126 177.304 177.304 177.140 0.164 18277 16902 1 20 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.097 1.802 18277 16903 1 20 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.634 0.588 18277 16904 1 20 . 1 1 127 127 VAL H H 126 8.474 8.474 8.222 0.252 18277 16905 1 20 . 1 1 128 128 GLU N N 127 120.874 120.874 118.980 1.894 18277 16906 1 20 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.105 -0.172 18277 16907 1 20 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.300 0.360 18277 16908 1 20 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.680 -0.600 18277 16909 1 20 . 1 1 128 128 GLU H H 127 8.504 8.504 8.181 0.323 18277 16910 1 20 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.961 -0.212 18277 16911 1 20 . 1 1 129 129 HIS C C 128 174.898 174.898 174.909 -0.011 18277 16912 1 20 . 1 1 129 129 HIS CA C 128 56.448 56.448 53.896 2.552 18277 16913 1 20 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.649 0.396 18277 16914 1 20 . 1 1 130 130 TYR N N 129 122.615 122.615 122.988 -0.373 18277 16915 1 20 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.305 -0.305 18277 16916 1 20 . 1 1 130 130 TYR C C 129 178.544 178.544 176.385 2.159 18277 16917 1 20 . 1 1 130 130 TYR CA C 129 62.108 62.108 62.468 -0.360 18277 16918 1 20 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.710 0.832 18277 16919 1 20 . 1 1 130 130 TYR H H 129 8.118 8.118 8.106 0.012 18277 16920 1 20 . 1 1 131 131 LEU N N 130 116.037 116.037 118.362 -2.325 18277 16921 1 20 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.305 0.044 18277 16922 1 20 . 1 1 131 131 LEU C C 130 179.368 179.368 179.235 0.133 18277 16923 1 20 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.915 0.901 18277 16924 1 20 . 1 1 131 131 LEU CB C 130 41.369 41.369 41.081 0.288 18277 16925 1 20 . 1 1 131 131 LEU H H 130 9.092 9.092 8.515 0.577 18277 16926 1 20 . 1 1 132 132 THR N N 131 113.629 113.629 109.282 4.347 18277 16927 1 20 . 1 1 132 132 THR HA H 131 4.007 4.007 4.180 -0.173 18277 16928 1 20 . 1 1 132 132 THR C C 131 177.255 177.255 176.227 1.028 18277 16929 1 20 . 1 1 132 132 THR CA C 131 66.505 66.505 65.116 1.389 18277 16930 1 20 . 1 1 132 132 THR CB C 131 68.052 68.052 68.980 -0.928 18277 16931 1 20 . 1 1 132 132 THR H H 131 8.129 8.129 8.046 0.083 18277 16932 1 20 . 1 1 133 133 ARG N N 132 124.720 124.720 121.755 2.965 18277 16933 1 20 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.253 -0.137 18277 16934 1 20 . 1 1 133 133 ARG C C 132 178.921 178.921 177.225 1.696 18277 16935 1 20 . 1 1 133 133 ARG CA C 132 60.037 60.037 57.447 2.590 18277 16936 1 20 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.017 0.257 18277 16937 1 20 . 1 1 133 133 ARG H H 132 8.187 8.187 8.175 0.012 18277 16938 1 20 . 1 1 134 134 TRP N N 133 120.307 120.307 120.677 -0.370 18277 16939 1 20 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.412 -0.185 18277 16940 1 20 . 1 1 134 134 TRP C C 133 177.823 177.823 177.017 0.806 18277 16941 1 20 . 1 1 134 134 TRP CA C 133 62.470 62.470 60.646 1.824 18277 16942 1 20 . 1 1 134 134 TRP CB C 133 28.755 28.755 29.968 -1.213 18277 16943 1 20 . 1 1 134 134 TRP H H 133 9.167 9.167 8.153 1.014 18277 16944 1 20 . 1 1 135 135 ILE N N 134 117.595 117.595 120.542 -2.947 18277 16945 1 20 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.190 0.393 18277 16946 1 20 . 1 1 135 135 ILE C C 134 176.333 176.333 177.073 -0.740 18277 16947 1 20 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.661 -2.953 18277 16948 1 20 . 1 1 135 135 ILE CB C 134 37.133 37.133 37.829 -0.696 18277 16949 1 20 . 1 1 135 135 ILE H H 134 9.000 9.000 7.749 1.251 18277 16950 1 20 . 1 1 136 136 SER N N 135 116.548 116.548 112.736 3.812 18277 16951 1 20 . 1 1 136 136 SER HA H 135 3.931 3.931 3.781 0.150 18277 16952 1 20 . 1 1 136 136 SER C C 135 174.339 174.339 174.966 -0.627 18277 16953 1 20 . 1 1 136 136 SER CA C 135 62.535 62.535 59.176 3.359 18277 16954 1 20 . 1 1 136 136 SER CB C 135 62.820 62.820 62.093 0.727 18277 16955 1 20 . 1 1 136 136 SER H H 135 7.592 7.592 7.541 0.051 18277 16956 1 20 . 1 1 137 137 LEU N N 136 119.693 119.693 120.215 -0.522 18277 16957 1 20 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.354 -0.157 18277 16958 1 20 . 1 1 137 137 LEU C C 136 178.376 178.376 177.046 1.330 18277 16959 1 20 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.747 0.369 18277 16960 1 20 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.571 0.417 18277 16961 1 20 . 1 1 137 137 LEU H H 136 7.247 7.247 7.310 -0.063 18277 16962 1 20 . 1 1 138 138 TYR N N 137 116.295 116.295 115.480 0.815 18277 16963 1 20 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.088 -0.444 18277 16964 1 20 . 1 1 138 138 TYR C C 137 178.142 178.142 177.236 0.906 18277 16965 1 20 . 1 1 138 138 TYR CA C 137 61.396 61.396 57.568 3.828 18277 16966 1 20 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.161 -0.254 18277 16967 1 20 . 1 1 138 138 TYR H H 137 8.057 8.057 7.672 0.385 18277 16968 1 20 . 1 1 139 139 ILE N N 138 117.755 117.755 121.685 -3.930 18277 16969 1 20 . 1 1 139 139 ILE HA H 138 3.818 3.818 2.948 0.870 18277 16970 1 20 . 1 1 139 139 ILE C C 138 176.943 176.943 177.273 -0.330 18277 16971 1 20 . 1 1 139 139 ILE CA C 138 61.684 61.684 62.554 -0.870 18277 16972 1 20 . 1 1 139 139 ILE CB C 138 36.768 36.768 36.510 0.258 18277 16973 1 20 . 1 1 139 139 ILE H H 138 8.371 8.371 7.402 0.969 18277 16974 1 20 . 1 1 140 140 ARG N N 139 118.103 118.103 118.773 -0.670 18277 16975 1 20 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.066 0.009 18277 16976 1 20 . 1 1 140 140 ARG C C 139 176.776 176.776 178.235 -1.459 18277 16977 1 20 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.824 -1.295 18277 16978 1 20 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.717 0.124 18277 16979 1 20 . 1 1 140 140 ARG H H 139 6.762 6.762 7.766 -1.004 18277 16980 1 20 . 1 1 141 141 ILE N N 140 117.603 117.603 117.965 -0.362 18277 16981 1 20 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.831 -0.060 18277 16982 1 20 . 1 1 141 141 ILE C C 140 176.448 176.448 176.524 -0.076 18277 16983 1 20 . 1 1 141 141 ILE CA C 140 63.370 63.370 64.077 -0.707 18277 16984 1 20 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.661 1.158 18277 16985 1 20 . 1 1 141 141 ILE H H 140 7.056 7.056 8.209 -1.153 18277 16986 1 20 . 1 1 142 142 PHE N N 141 114.969 114.969 116.817 -1.848 18277 16987 1 20 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.569 -0.175 18277 16988 1 20 . 1 1 142 142 PHE C C 141 175.503 175.503 174.736 0.767 18277 16989 1 20 . 1 1 142 142 PHE CA C 141 58.126 58.126 59.338 -1.212 18277 16990 1 20 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.542 -1.105 18277 16991 1 20 . 1 1 142 142 PHE H H 141 7.287 7.287 8.000 -0.713 18277 16992 1 20 . 1 1 143 143 ASP N N 142 116.492 116.492 119.105 -2.613 18277 16993 1 20 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.944 -0.199 18277 16994 1 20 . 1 1 143 143 ASP C C 142 175.131 175.131 175.300 -0.169 18277 16995 1 20 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.753 0.260 18277 16996 1 20 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.551 0.445 18277 16997 1 20 . 1 1 143 143 ASP H H 142 7.697 7.697 8.184 -0.487 18277 16998 1 20 . 1 1 144 144 LEU N N 143 126.435 126.435 126.068 0.367 18277 16999 1 20 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.301 -0.115 18277 17000 1 20 . 1 1 144 144 LEU C C 143 177.297 177.297 176.730 0.567 18277 17001 1 20 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.614 1.326 18277 17002 1 20 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.961 0.648 18277 17003 1 20 . 1 1 144 144 LEU H H 143 8.790 8.790 8.796 -0.006 18277 17004 1 20 . 1 1 145 145 ASN N N 144 114.711 114.711 116.079 -1.368 18277 17005 1 20 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.784 0.039 18277 17006 1 20 . 1 1 145 145 ASN C C 144 174.879 174.879 174.888 -0.009 18277 17007 1 20 . 1 1 145 145 ASN CA C 144 53.151 53.151 54.146 -0.995 18277 17008 1 20 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.964 -1.269 18277 17009 1 20 . 1 1 145 145 ASN H H 144 8.569 8.569 8.626 -0.057 18277 17010 1 20 . 1 1 146 146 PHE N N 145 121.472 121.472 122.524 -1.052 18277 17011 1 20 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.605 -0.096 18277 17012 1 20 . 1 1 146 146 PHE C C 145 173.397 173.397 173.422 -0.025 18277 17013 1 20 . 1 1 146 146 PHE CA C 145 57.895 57.895 56.239 1.656 18277 17014 1 20 . 1 1 146 146 PHE CB C 145 38.987 38.987 39.328 -0.341 18277 17015 1 20 . 1 1 146 146 PHE H H 145 7.214 7.214 8.254 -1.040 18277 17016 1 20 . 1 1 147 147 VAL N N 146 128.813 128.813 124.912 3.901 18277 17017 1 20 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.351 -0.279 18277 17018 1 20 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.658 1.040 18277 17019 1 20 . 1 1 147 147 VAL CB C 146 33.469 33.469 30.683 2.786 18277 17020 1 20 . 1 1 147 147 VAL H H 146 7.666 7.666 8.212 -0.546 18277 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 140 2.673 -0.136 2.679 18277 2 1 1 "Average Difference" HA 149 0.314 -0.025 0.314 18277 3 1 1 "Average Difference" C 139 0.941 -0.150 0.933 18277 4 1 1 "Average Difference" CA 146 1.164 -0.289 1.131 18277 5 1 1 "Average Difference" CB 143 1.095 -0.255 1.069 18277 6 1 1 "Average Difference" HN 140 0.580 -0.174 0.555 18277 7 1 2 "Average Difference" N 140 2.721 -0.537 2.677 18277 8 1 2 "Average Difference" HA 149 0.321 -0.021 0.322 18277 9 1 2 "Average Difference" C 139 0.999 -0.183 0.986 18277 10 1 2 "Average Difference" CA 146 1.211 -0.245 1.190 18277 11 1 2 "Average Difference" CB 143 1.117 -0.214 1.100 18277 12 1 2 "Average Difference" HN 140 0.607 -0.191 0.579 18277 13 1 3 "Average Difference" N 140 2.796 -0.450 2.770 18277 14 1 3 "Average Difference" HA 149 0.313 -0.037 0.312 18277 15 1 3 "Average Difference" C 139 0.972 -0.145 0.964 18277 16 1 3 "Average Difference" CA 146 1.144 -0.187 1.133 18277 17 1 3 "Average Difference" CB 143 1.196 -0.252 1.173 18277 18 1 3 "Average Difference" HN 140 0.575 -0.203 0.540 18277 19 1 4 "Average Difference" N 140 2.843 -0.405 2.824 18277 20 1 4 "Average Difference" HA 149 0.342 -0.030 0.342 18277 21 1 4 "Average Difference" C 139 1.020 -0.183 1.007 18277 22 1 4 "Average Difference" CA 146 1.222 -0.280 1.194 18277 23 1 4 "Average Difference" CB 143 1.141 -0.211 1.125 18277 24 1 4 "Average Difference" HN 140 0.597 -0.193 0.566 18277 25 1 5 "Average Difference" N 140 2.787 -0.323 2.779 18277 26 1 5 "Average Difference" HA 149 0.304 -0.012 0.305 18277 27 1 5 "Average Difference" C 139 0.997 -0.162 0.987 18277 28 1 5 "Average Difference" CA 146 1.169 -0.230 1.150 18277 29 1 5 "Average Difference" CB 143 1.185 -0.261 1.160 18277 30 1 5 "Average Difference" HN 140 0.603 -0.185 0.576 18277 31 1 6 "Average Difference" N 140 2.742 -0.316 2.734 18277 32 1 6 "Average Difference" HA 149 0.311 -0.026 0.311 18277 33 1 6 "Average Difference" C 139 1.003 -0.174 0.992 18277 34 1 6 "Average Difference" CA 146 1.145 -0.221 1.127 18277 35 1 6 "Average Difference" CB 143 1.125 -0.244 1.102 18277 36 1 6 "Average Difference" HN 140 0.599 -0.183 0.572 18277 37 1 7 "Average Difference" N 140 2.750 -0.235 2.750 18277 38 1 7 "Average Difference" HA 149 0.321 -0.046 0.319 18277 39 1 7 "Average Difference" C 139 1.032 -0.130 1.028 18277 40 1 7 "Average Difference" CA 146 1.179 -0.171 1.171 18277 41 1 7 "Average Difference" CB 143 1.170 -0.265 1.143 18277 42 1 7 "Average Difference" HN 140 0.555 -0.128 0.542 18277 43 1 8 "Average Difference" N 140 2.651 -0.460 2.620 18277 44 1 8 "Average Difference" HA 149 0.314 -0.036 0.313 18277 45 1 8 "Average Difference" C 139 1.008 -0.139 1.002 18277 46 1 8 "Average Difference" CA 146 1.163 -0.138 1.159 18277 47 1 8 "Average Difference" CB 143 1.162 -0.264 1.135 18277 48 1 8 "Average Difference" HN 140 0.586 -0.164 0.565 18277 49 1 9 "Average Difference" N 140 2.709 -0.298 2.702 18277 50 1 9 "Average Difference" HA 149 0.340 -0.031 0.340 18277 51 1 9 "Average Difference" C 139 1.070 -0.123 1.067 18277 52 1 9 "Average Difference" CA 146 1.214 -0.184 1.204 18277 53 1 9 "Average Difference" CB 143 1.161 -0.290 1.129 18277 54 1 9 "Average Difference" HN 140 0.602 -0.199 0.570 18277 55 1 10 "Average Difference" N 140 2.835 -0.256 2.834 18277 56 1 10 "Average Difference" HA 149 0.323 -0.031 0.322 18277 57 1 10 "Average Difference" C 139 1.023 -0.135 1.018 18277 58 1 10 "Average Difference" CA 146 1.169 -0.218 1.152 18277 59 1 10 "Average Difference" CB 143 1.166 -0.309 1.129 18277 60 1 10 "Average Difference" HN 140 0.562 -0.143 0.546 18277 61 1 11 "Average Difference" N 140 2.813 -0.352 2.800 18277 62 1 11 "Average Difference" HA 149 0.354 -0.031 0.353 18277 63 1 11 "Average Difference" C 139 1.002 -0.181 0.989 18277 64 1 11 "Average Difference" CA 146 1.199 -0.249 1.177 18277 65 1 11 "Average Difference" CB 143 1.098 -0.248 1.074 18277 66 1 11 "Average Difference" HN 140 0.601 -0.186 0.573 18277 67 1 12 "Average Difference" N 140 2.670 -0.259 2.667 18277 68 1 12 "Average Difference" HA 149 0.350 -0.036 0.349 18277 69 1 12 "Average Difference" C 139 0.993 -0.183 0.980 18277 70 1 12 "Average Difference" CA 146 1.235 -0.269 1.210 18277 71 1 12 "Average Difference" CB 143 1.095 -0.271 1.064 18277 72 1 12 "Average Difference" HN 140 0.582 -0.190 0.552 18277 73 1 13 "Average Difference" N 140 2.736 -0.253 2.734 18277 74 1 13 "Average Difference" HA 149 0.309 -0.037 0.308 18277 75 1 13 "Average Difference" C 139 0.982 -0.115 0.979 18277 76 1 13 "Average Difference" CA 146 1.114 -0.198 1.100 18277 77 1 13 "Average Difference" CB 143 1.037 -0.237 1.013 18277 78 1 13 "Average Difference" HN 140 0.559 -0.166 0.536 18277 79 1 14 "Average Difference" N 140 2.767 -0.318 2.758 18277 80 1 14 "Average Difference" HA 149 0.302 -0.002 0.303 18277 81 1 14 "Average Difference" C 139 1.018 -0.103 1.017 18277 82 1 14 "Average Difference" CA 146 1.194 -0.234 1.174 18277 83 1 14 "Average Difference" CB 143 1.097 -0.225 1.078 18277 84 1 14 "Average Difference" HN 140 0.589 -0.178 0.564 18277 85 1 15 "Average Difference" N 140 2.633 -0.241 2.631 18277 86 1 15 "Average Difference" HA 149 0.349 -0.022 0.350 18277 87 1 15 "Average Difference" C 139 1.022 -0.223 1.001 18277 88 1 15 "Average Difference" CA 146 1.182 -0.256 1.158 18277 89 1 15 "Average Difference" CB 143 1.144 -0.195 1.132 18277 90 1 15 "Average Difference" HN 140 0.593 -0.185 0.565 18277 91 1 16 "Average Difference" N 140 2.595 -0.435 2.567 18277 92 1 16 "Average Difference" HA 149 0.318 -0.029 0.318 18277 93 1 16 "Average Difference" C 139 1.020 -0.187 1.006 18277 94 1 16 "Average Difference" CA 146 1.200 -0.248 1.178 18277 95 1 16 "Average Difference" CB 143 1.149 -0.289 1.116 18277 96 1 16 "Average Difference" HN 140 0.573 -0.173 0.549 18277 97 1 17 "Average Difference" N 140 2.760 -0.296 2.754 18277 98 1 17 "Average Difference" HA 149 0.326 -0.055 0.323 18277 99 1 17 "Average Difference" C 139 1.050 -0.125 1.046 18277 100 1 17 "Average Difference" CA 146 1.193 -0.174 1.185 18277 101 1 17 "Average Difference" CB 143 1.101 -0.288 1.066 18277 102 1 17 "Average Difference" HN 140 0.572 -0.178 0.546 18277 103 1 18 "Average Difference" N 140 2.871 -0.394 2.854 18277 104 1 18 "Average Difference" HA 149 0.332 -0.022 0.332 18277 105 1 18 "Average Difference" C 139 0.968 -0.168 0.956 18277 106 1 18 "Average Difference" CA 146 1.212 -0.189 1.202 18277 107 1 18 "Average Difference" CB 143 1.024 -0.264 0.993 18277 108 1 18 "Average Difference" HN 140 0.597 -0.172 0.574 18277 109 1 19 "Average Difference" N 140 2.698 -0.342 2.686 18277 110 1 19 "Average Difference" HA 149 0.329 -0.046 0.327 18277 111 1 19 "Average Difference" C 139 0.984 -0.156 0.975 18277 112 1 19 "Average Difference" CA 146 1.192 -0.223 1.175 18277 113 1 19 "Average Difference" CB 143 1.097 -0.307 1.057 18277 114 1 19 "Average Difference" HN 140 0.585 -0.176 0.559 18277 115 1 20 "Average Difference" N 140 2.840 -0.373 2.825 18277 116 1 20 "Average Difference" HA 149 0.323 -0.040 0.322 18277 117 1 20 "Average Difference" C 139 0.963 -0.133 0.957 18277 118 1 20 "Average Difference" CA 146 1.221 -0.182 1.212 18277 119 1 20 "Average Difference" CB 143 1.086 -0.268 1.057 18277 120 1 20 "Average Difference" HN 140 0.623 -0.178 0.599 18277 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 18277 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 MET N N 1 121.461 121.461 120.067 1.394 18277 2 1 . 1 1 2 2 MET HA H 1 4.581 4.581 4.472 0.109 18277 3 1 . 1 1 2 2 MET C C 1 175.184 175.184 175.608 -0.424 18277 4 1 . 1 1 2 2 MET CA C 1 55.447 55.447 55.498 -0.051 18277 5 1 . 1 1 2 2 MET CB C 1 34.107 34.107 33.487 0.620 18277 6 1 . 1 1 2 2 MET H H 1 8.431 8.431 8.393 0.038 18277 7 1 . 1 1 3 3 LEU N N 2 123.575 123.575 123.552 0.023 18277 8 1 . 1 1 3 3 LEU HA H 2 4.470 4.470 4.335 0.135 18277 9 1 . 1 1 3 3 LEU C C 2 176.479 176.479 176.579 -0.100 18277 10 1 . 1 1 3 3 LEU CA C 2 54.544 54.544 55.385 -0.841 18277 11 1 . 1 1 3 3 LEU CB C 2 43.200 43.200 41.990 1.210 18277 12 1 . 1 1 3 3 LEU H H 2 8.678 8.678 7.685 0.992 18277 13 1 . 1 1 4 4 THR N N 3 119.326 119.326 117.243 2.083 18277 14 1 . 1 1 4 4 THR HA H 3 4.398 4.398 4.624 -0.226 18277 15 1 . 1 1 4 4 THR C C 3 173.920 173.920 175.726 -1.806 18277 16 1 . 1 1 4 4 THR CA C 3 61.025 61.025 61.010 0.015 18277 17 1 . 1 1 4 4 THR CB C 3 71.090 71.090 70.226 0.864 18277 18 1 . 1 1 4 4 THR H H 3 8.541 8.541 8.015 0.526 18277 19 1 . 1 1 5 5 LEU N N 4 122.107 122.107 120.388 1.719 18277 20 1 . 1 1 5 5 LEU HA H 4 3.288 3.288 3.610 -0.322 18277 21 1 . 1 1 5 5 LEU CA C 4 59.092 59.092 58.301 0.790 18277 22 1 . 1 1 5 5 LEU CB C 4 38.806 38.806 38.868 -0.062 18277 23 1 . 1 1 5 5 LEU H H 4 8.777 8.777 8.564 0.213 18277 24 1 . 1 1 6 6 PRO HA H 5 4.346 4.346 4.386 -0.040 18277 25 1 . 1 1 6 6 PRO C C 5 179.812 179.812 177.820 1.992 18277 26 1 . 1 1 6 6 PRO CA C 5 66.260 66.260 64.932 1.328 18277 27 1 . 1 1 6 6 PRO CB C 5 31.059 31.059 31.095 -0.036 18277 28 1 . 1 1 7 7 GLU N N 6 117.744 117.744 117.000 0.744 18277 29 1 . 1 1 7 7 GLU HA H 6 4.026 4.026 4.248 -0.222 18277 30 1 . 1 1 7 7 GLU C C 6 178.359 178.359 177.176 1.183 18277 31 1 . 1 1 7 7 GLU CA C 6 59.103 59.103 58.198 0.905 18277 32 1 . 1 1 7 7 GLU CB C 6 30.270 30.270 30.247 0.023 18277 33 1 . 1 1 7 7 GLU H H 6 7.088 7.088 7.869 -0.781 18277 34 1 . 1 1 8 8 TYR N N 7 120.825 120.825 118.249 2.576 18277 35 1 . 1 1 8 8 TYR HA H 7 3.895 3.895 4.444 -0.549 18277 36 1 . 1 1 8 8 TYR C C 7 176.641 176.641 177.146 -0.505 18277 37 1 . 1 1 8 8 TYR CA C 7 61.519 61.519 59.702 1.817 18277 38 1 . 1 1 8 8 TYR CB C 7 37.727 37.727 39.161 -1.434 18277 39 1 . 1 1 8 8 TYR H H 7 8.310 8.310 7.770 0.540 18277 40 1 . 1 1 9 9 ASN N N 8 118.086 118.086 118.619 -0.533 18277 41 1 . 1 1 9 9 ASN HA H 8 4.318 4.318 4.040 0.278 18277 42 1 . 1 1 9 9 ASN C C 8 179.060 179.060 177.520 1.540 18277 43 1 . 1 1 9 9 ASN CA C 8 55.774 55.774 55.436 0.338 18277 44 1 . 1 1 9 9 ASN CB C 8 38.309 38.309 37.813 0.496 18277 45 1 . 1 1 9 9 ASN H H 8 8.791 8.791 8.412 0.379 18277 46 1 . 1 1 10 10 GLU N N 9 120.057 120.057 119.413 0.644 18277 47 1 . 1 1 10 10 GLU HA H 9 4.113 4.113 4.164 -0.051 18277 48 1 . 1 1 10 10 GLU C C 9 177.853 177.853 177.046 0.807 18277 49 1 . 1 1 10 10 GLU CA C 9 58.506 58.506 58.556 -0.050 18277 50 1 . 1 1 10 10 GLU CB C 9 29.641 29.641 29.423 0.218 18277 51 1 . 1 1 10 10 GLU H H 9 8.013 8.013 8.346 -0.332 18277 52 1 . 1 1 11 11 GLN N N 10 116.468 116.468 116.635 -0.167 18277 53 1 . 1 1 11 11 GLN HA H 10 4.450 4.450 4.560 -0.110 18277 54 1 . 1 1 11 11 GLN C C 10 177.470 177.470 176.223 1.247 18277 55 1 . 1 1 11 11 GLN CA C 10 56.997 56.997 55.210 1.787 18277 56 1 . 1 1 11 11 GLN CB C 10 30.725 30.725 29.256 1.469 18277 57 1 . 1 1 11 11 GLN H H 10 7.488 7.488 7.529 -0.041 18277 58 1 . 1 1 12 12 ILE N N 11 124.393 124.393 122.371 2.022 18277 59 1 . 1 1 12 12 ILE HA H 11 3.828 3.828 3.754 0.074 18277 60 1 . 1 1 12 12 ILE CA C 11 63.506 63.506 65.812 -2.306 18277 61 1 . 1 1 12 12 ILE CB C 11 34.258 34.258 35.523 -1.265 18277 62 1 . 1 1 12 12 ILE H H 11 7.605 7.605 7.095 0.510 18277 63 1 . 1 1 13 13 PRO HA H 12 4.237 4.237 4.507 -0.270 18277 64 1 . 1 1 13 13 PRO C C 12 179.113 179.113 177.020 2.093 18277 65 1 . 1 1 13 13 PRO CA C 12 66.427 66.427 64.416 2.011 18277 66 1 . 1 1 13 13 PRO CB C 12 31.077 31.077 30.840 0.237 18277 67 1 . 1 1 14 14 ASN N N 13 115.499 115.499 117.557 -2.058 18277 68 1 . 1 1 14 14 ASN HA H 13 4.592 4.592 4.719 -0.127 18277 69 1 . 1 1 14 14 ASN C C 13 178.208 178.208 177.143 1.065 18277 70 1 . 1 1 14 14 ASN CA C 13 55.791 55.791 54.854 0.937 18277 71 1 . 1 1 14 14 ASN CB C 13 38.044 38.044 38.487 -0.443 18277 72 1 . 1 1 14 14 ASN H H 13 7.793 7.793 7.960 -0.167 18277 73 1 . 1 1 15 15 VAL N N 14 121.205 121.205 121.396 -0.191 18277 74 1 . 1 1 15 15 VAL HA H 14 3.700 3.700 3.804 -0.104 18277 75 1 . 1 1 15 15 VAL C C 14 176.999 176.999 177.462 -0.463 18277 76 1 . 1 1 15 15 VAL CA C 14 66.544 66.544 66.472 0.072 18277 77 1 . 1 1 15 15 VAL CB C 14 31.425 31.425 31.712 -0.287 18277 78 1 . 1 1 15 15 VAL H H 14 7.704 7.704 7.800 -0.096 18277 79 1 . 1 1 16 16 ARG N N 15 121.067 121.067 119.064 2.003 18277 80 1 . 1 1 16 16 ARG HA H 15 3.714 3.714 4.094 -0.380 18277 81 1 . 1 1 16 16 ARG C C 15 178.150 178.150 178.012 0.138 18277 82 1 . 1 1 16 16 ARG CA C 15 60.520 60.520 59.500 1.020 18277 83 1 . 1 1 16 16 ARG CB C 15 30.215 30.215 29.591 0.624 18277 84 1 . 1 1 16 16 ARG H H 15 8.855 8.855 7.775 1.080 18277 85 1 . 1 1 17 17 SER N N 16 112.741 112.741 115.245 -2.504 18277 86 1 . 1 1 17 17 SER HA H 16 4.245 4.245 4.323 -0.078 18277 87 1 . 1 1 17 17 SER C C 16 177.177 177.177 176.342 0.835 18277 88 1 . 1 1 17 17 SER CA C 16 61.756 61.756 61.043 0.713 18277 89 1 . 1 1 17 17 SER CB C 16 62.785 62.785 63.041 -0.256 18277 90 1 . 1 1 17 17 SER H H 16 7.987 7.987 7.848 0.139 18277 91 1 . 1 1 18 18 LEU N N 17 122.703 122.703 119.452 3.251 18277 92 1 . 1 1 18 18 LEU HA H 17 4.257 4.257 4.467 -0.210 18277 93 1 . 1 1 18 18 LEU C C 17 179.350 179.350 178.902 0.448 18277 94 1 . 1 1 18 18 LEU CA C 17 58.484 58.484 57.158 1.326 18277 95 1 . 1 1 18 18 LEU CB C 17 42.475 42.475 41.263 1.212 18277 96 1 . 1 1 18 18 LEU H H 17 7.728 7.728 7.589 0.139 18277 97 1 . 1 1 19 19 LEU N N 18 116.536 116.536 121.507 -4.971 18277 98 1 . 1 1 19 19 LEU HA H 18 4.231 4.231 4.314 -0.083 18277 99 1 . 1 1 19 19 LEU C C 18 178.556 178.556 178.939 -0.383 18277 100 1 . 1 1 19 19 LEU CA C 18 57.275 57.275 57.718 -0.443 18277 101 1 . 1 1 19 19 LEU CB C 18 41.716 41.716 40.850 0.866 18277 102 1 . 1 1 19 19 LEU H H 18 8.367 8.367 8.696 -0.329 18277 103 1 . 1 1 20 20 THR N N 19 111.172 111.172 110.906 0.266 18277 104 1 . 1 1 20 20 THR HA H 19 4.072 4.072 4.062 0.010 18277 105 1 . 1 1 20 20 THR C C 19 175.433 175.433 175.838 -0.405 18277 106 1 . 1 1 20 20 THR CA C 19 65.421 65.421 65.004 0.418 18277 107 1 . 1 1 20 20 THR CB C 19 69.541 69.541 68.295 1.246 18277 108 1 . 1 1 20 20 THR H H 19 7.926 7.926 7.916 0.010 18277 109 1 . 1 1 21 21 LYS N N 20 117.696 117.696 118.942 -1.246 18277 110 1 . 1 1 21 21 LYS HA H 20 4.351 4.351 4.200 0.151 18277 111 1 . 1 1 21 21 LYS C C 20 176.229 176.229 177.160 -0.931 18277 112 1 . 1 1 21 21 LYS CA C 20 56.514 56.514 56.585 -0.072 18277 113 1 . 1 1 21 21 LYS CB C 20 32.349 32.349 32.367 -0.018 18277 114 1 . 1 1 21 21 LYS H H 20 7.350 7.350 8.000 -0.651 18277 115 1 . 1 1 22 22 TRP N N 21 123.258 123.258 122.254 1.004 18277 116 1 . 1 1 22 22 TRP HA H 21 4.768 4.768 4.098 0.670 18277 117 1 . 1 1 22 22 TRP C C 21 177.333 177.333 176.680 0.653 18277 118 1 . 1 1 22 22 TRP CA C 21 54.466 54.466 56.997 -2.530 18277 119 1 . 1 1 22 22 TRP CB C 21 28.882 28.882 28.491 0.391 18277 120 1 . 1 1 22 22 TRP H H 21 7.710 7.710 7.696 0.014 18277 121 1 . 1 1 23 23 ALA N N 22 133.336 133.336 128.784 4.552 18277 122 1 . 1 1 23 23 ALA HA H 22 4.146 4.146 4.224 -0.078 18277 123 1 . 1 1 23 23 ALA C C 22 177.467 177.467 177.347 0.119 18277 124 1 . 1 1 23 23 ALA CA C 22 54.855 54.855 53.079 1.776 18277 125 1 . 1 1 23 23 ALA CB C 22 18.964 18.964 19.192 -0.228 18277 126 1 . 1 1 23 23 ALA H H 22 9.658 9.658 8.579 1.079 18277 127 1 . 1 1 24 24 LYS N N 23 111.352 111.352 116.664 -5.312 18277 128 1 . 1 1 24 24 LYS HA H 23 4.000 4.000 4.049 -0.049 18277 129 1 . 1 1 24 24 LYS C C 23 175.467 175.467 175.854 -0.387 18277 130 1 . 1 1 24 24 LYS CA C 23 56.522 56.522 57.174 -0.652 18277 131 1 . 1 1 24 24 LYS CB C 23 33.306 33.306 32.229 1.077 18277 132 1 . 1 1 24 24 LYS H H 23 5.756 5.756 7.898 -2.142 18277 133 1 . 1 1 25 25 VAL N N 24 119.937 119.937 118.717 1.220 18277 134 1 . 1 1 25 25 VAL HA H 24 3.378 3.378 3.679 -0.301 18277 135 1 . 1 1 25 25 VAL C C 24 175.634 175.634 175.654 -0.020 18277 136 1 . 1 1 25 25 VAL CA C 24 64.463 64.463 63.336 1.127 18277 137 1 . 1 1 25 25 VAL CB C 24 32.021 32.021 31.019 1.002 18277 138 1 . 1 1 25 25 VAL H H 24 7.179 7.179 7.143 0.036 18277 139 1 . 1 1 26 26 GLU N N 25 127.218 127.218 127.887 -0.669 18277 140 1 . 1 1 26 26 GLU HA H 25 4.408 4.408 4.338 0.070 18277 141 1 . 1 1 26 26 GLU C C 25 176.448 176.448 176.249 0.199 18277 142 1 . 1 1 26 26 GLU CA C 25 56.976 56.976 56.644 0.332 18277 143 1 . 1 1 26 26 GLU CB C 25 31.406 31.406 31.463 -0.057 18277 144 1 . 1 1 26 26 GLU H H 25 9.017 9.017 8.731 0.286 18277 145 1 . 1 1 27 27 ARG N N 26 117.397 117.397 119.759 -2.362 18277 146 1 . 1 1 27 27 ARG HA H 26 4.527 4.527 4.567 -0.040 18277 147 1 . 1 1 27 27 ARG C C 26 173.508 173.508 174.187 -0.679 18277 148 1 . 1 1 27 27 ARG CA C 26 56.216 56.216 54.998 1.218 18277 149 1 . 1 1 27 27 ARG CB C 26 33.963 33.963 32.841 1.122 18277 150 1 . 1 1 27 27 ARG H H 26 7.521 7.521 7.504 0.017 18277 151 1 . 1 1 28 28 ILE N N 27 123.297 123.297 124.569 -1.272 18277 152 1 . 1 1 28 28 ILE HA H 27 4.681 4.681 4.374 0.307 18277 153 1 . 1 1 28 28 ILE C C 27 173.872 173.872 174.551 -0.679 18277 154 1 . 1 1 28 28 ILE CA C 27 61.090 61.090 60.502 0.588 18277 155 1 . 1 1 28 28 ILE CB C 27 40.685 40.685 38.838 1.847 18277 156 1 . 1 1 28 28 ILE H H 27 8.662 8.662 8.495 0.167 18277 157 1 . 1 1 29 29 GLN N N 28 125.810 125.810 127.452 -1.642 18277 158 1 . 1 1 29 29 GLN HA H 28 4.752 4.752 4.692 0.060 18277 159 1 . 1 1 29 29 GLN C C 28 174.329 174.329 173.914 0.415 18277 160 1 . 1 1 29 29 GLN CA C 28 54.069 54.069 54.185 -0.116 18277 161 1 . 1 1 29 29 GLN CB C 28 32.942 32.942 33.152 -0.210 18277 162 1 . 1 1 29 29 GLN H H 28 9.282 9.282 8.599 0.683 18277 163 1 . 1 1 30 30 ASP N N 29 125.001 125.001 122.061 2.940 18277 164 1 . 1 1 30 30 ASP HA H 29 4.886 4.886 4.907 -0.021 18277 165 1 . 1 1 30 30 ASP C C 29 175.522 175.522 174.939 0.583 18277 166 1 . 1 1 30 30 ASP CA C 29 55.456 55.456 52.628 2.828 18277 167 1 . 1 1 30 30 ASP CB C 29 41.323 41.323 43.272 -1.949 18277 168 1 . 1 1 30 30 ASP H H 29 8.666 8.666 8.438 0.228 18277 169 1 . 1 1 31 31 VAL N N 30 116.978 116.978 115.091 1.887 18277 170 1 . 1 1 31 31 VAL HA H 30 4.644 4.644 4.584 0.060 18277 171 1 . 1 1 31 31 VAL C C 30 175.448 175.448 174.927 0.522 18277 172 1 . 1 1 31 31 VAL CA C 30 59.178 59.178 59.384 -0.206 18277 173 1 . 1 1 31 31 VAL CB C 30 35.124 35.124 34.789 0.335 18277 174 1 . 1 1 31 31 VAL H H 30 7.784 7.784 8.037 -0.253 18277 175 1 . 1 1 32 32 GLN N N 31 121.763 121.763 121.896 -0.133 18277 176 1 . 1 1 32 32 GLN HA H 31 4.033 4.033 4.246 -0.213 18277 177 1 . 1 1 32 32 GLN C C 31 176.620 176.620 175.317 1.303 18277 178 1 . 1 1 32 32 GLN CA C 31 58.183 58.183 57.243 0.940 18277 179 1 . 1 1 32 32 GLN CB C 31 28.042 28.042 28.134 -0.092 18277 180 1 . 1 1 32 32 GLN H H 31 8.515 8.515 8.640 -0.125 18277 181 1 . 1 1 33 33 ASP N N 32 121.199 121.199 119.808 1.391 18277 182 1 . 1 1 33 33 ASP HA H 32 4.975 4.975 4.610 0.364 18277 183 1 . 1 1 33 33 ASP C C 32 176.998 176.998 174.965 2.033 18277 184 1 . 1 1 33 33 ASP CA C 32 55.528 55.528 54.592 0.936 18277 185 1 . 1 1 33 33 ASP CB C 32 40.659 40.659 39.982 0.677 18277 186 1 . 1 1 33 33 ASP H H 32 9.134 9.134 8.308 0.826 18277 187 1 . 1 1 34 34 GLY N N 33 106.691 106.691 103.937 2.754 18277 188 1 . 1 1 34 34 GLY C C 33 171.453 171.453 171.989 -0.536 18277 189 1 . 1 1 34 34 GLY CA C 33 47.365 47.365 45.755 1.610 18277 190 1 . 1 1 34 34 GLY H H 33 8.104 8.104 7.770 0.334 18277 191 1 . 1 1 35 35 LEU N N 34 119.801 119.801 120.131 -0.330 18277 192 1 . 1 1 35 35 LEU HA H 34 5.283 5.283 4.769 0.514 18277 193 1 . 1 1 35 35 LEU C C 34 174.568 174.568 174.028 0.540 18277 194 1 . 1 1 35 35 LEU CA C 34 53.568 53.568 55.197 -1.629 18277 195 1 . 1 1 35 35 LEU CB C 34 49.272 49.272 47.085 2.187 18277 196 1 . 1 1 35 35 LEU H H 34 8.491 8.491 8.057 0.434 18277 197 1 . 1 1 36 36 GLN N N 35 121.349 121.349 122.336 -0.987 18277 198 1 . 1 1 36 36 GLN HA H 35 5.217 5.217 5.488 -0.271 18277 199 1 . 1 1 36 36 GLN C C 35 174.530 174.530 174.120 0.410 18277 200 1 . 1 1 36 36 GLN CA C 35 54.764 54.764 54.194 0.570 18277 201 1 . 1 1 36 36 GLN CB C 35 31.480 31.480 31.278 0.202 18277 202 1 . 1 1 36 36 GLN H H 35 8.992 8.992 8.837 0.155 18277 203 1 . 1 1 37 37 LEU N N 36 126.882 126.882 126.754 0.128 18277 204 1 . 1 1 37 37 LEU HA H 36 5.358 5.358 5.004 0.354 18277 205 1 . 1 1 37 37 LEU C C 36 174.519 174.519 175.930 -1.411 18277 206 1 . 1 1 37 37 LEU CA C 36 54.931 54.931 53.221 1.710 18277 207 1 . 1 1 37 37 LEU CB C 36 45.251 45.251 44.504 0.747 18277 208 1 . 1 1 37 37 LEU H H 36 9.826 9.826 8.415 1.411 18277 209 1 . 1 1 38 38 ASP N N 37 122.748 122.748 121.719 1.029 18277 210 1 . 1 1 38 38 ASP HA H 37 5.449 5.449 4.970 0.479 18277 211 1 . 1 1 38 38 ASP C C 37 175.197 175.197 175.123 0.074 18277 212 1 . 1 1 38 38 ASP CA C 37 53.379 53.379 53.380 -0.001 18277 213 1 . 1 1 38 38 ASP CB C 37 42.062 42.062 41.685 0.377 18277 214 1 . 1 1 38 38 ASP H H 37 8.556 8.556 8.241 0.315 18277 215 1 . 1 1 39 39 VAL N N 38 124.835 124.835 124.293 0.542 18277 216 1 . 1 1 39 39 VAL HA H 38 4.141 4.141 3.811 0.330 18277 217 1 . 1 1 39 39 VAL C C 38 174.081 174.081 175.084 -1.004 18277 218 1 . 1 1 39 39 VAL CA C 38 60.442 60.442 61.661 -1.219 18277 219 1 . 1 1 39 39 VAL CB C 38 34.594 34.594 31.979 2.615 18277 220 1 . 1 1 39 39 VAL H H 38 9.495 9.495 8.393 1.102 18277 221 1 . 1 1 40 40 ARG N N 39 131.221 131.221 127.526 3.695 18277 222 1 . 1 1 40 40 ARG HA H 39 4.516 4.516 4.531 -0.015 18277 223 1 . 1 1 40 40 ARG C C 39 174.144 174.144 175.824 -1.680 18277 224 1 . 1 1 40 40 ARG CA C 39 53.504 53.504 54.068 -0.564 18277 225 1 . 1 1 40 40 ARG CB C 39 28.119 28.119 28.699 -0.579 18277 226 1 . 1 1 40 40 ARG H H 39 9.046 9.046 8.323 0.723 18277 227 1 . 1 1 41 41 LEU N N 40 129.501 129.501 123.594 5.907 18277 228 1 . 1 1 41 41 LEU HA H 40 4.026 4.026 4.048 -0.022 18277 229 1 . 1 1 41 41 LEU C C 40 176.934 176.934 177.186 -0.252 18277 230 1 . 1 1 41 41 LEU CA C 40 57.863 57.863 57.119 0.743 18277 231 1 . 1 1 41 41 LEU CB C 40 43.748 43.748 42.363 1.385 18277 232 1 . 1 1 41 41 LEU H H 40 7.786 7.786 8.209 -0.423 18277 233 1 . 1 1 42 42 LYS N N 41 112.553 112.553 115.406 -2.853 18277 234 1 . 1 1 42 42 LYS HA H 41 4.694 4.694 4.481 0.213 18277 235 1 . 1 1 42 42 LYS CA C 41 54.179 54.179 55.317 -1.138 18277 236 1 . 1 1 42 42 LYS CB C 41 36.003 36.003 35.001 1.002 18277 237 1 . 1 1 42 42 LYS H H 41 8.313 8.313 7.428 0.885 18277 238 1 . 1 1 43 43 THR HA H 42 3.860 3.860 4.128 -0.268 18277 239 1 . 1 1 43 43 THR C C 42 174.883 174.883 174.263 0.620 18277 240 1 . 1 1 43 43 THR CA C 42 66.494 66.494 65.140 1.354 18277 241 1 . 1 1 43 43 THR CB C 42 68.508 68.508 68.860 -0.352 18277 242 1 . 1 1 44 44 ASP N N 43 114.795 114.795 117.335 -2.540 18277 243 1 . 1 1 44 44 ASP HA H 43 4.829 4.829 4.876 -0.047 18277 244 1 . 1 1 44 44 ASP C C 43 176.791 176.791 174.811 1.980 18277 245 1 . 1 1 44 44 ASP CA C 43 52.921 52.921 53.617 -0.696 18277 246 1 . 1 1 44 44 ASP CB C 43 42.070 42.070 41.605 0.465 18277 247 1 . 1 1 44 44 ASP H H 43 7.759 7.759 8.109 -0.350 18277 248 1 . 1 1 45 45 THR N N 44 115.323 115.323 116.508 -1.185 18277 249 1 . 1 1 45 45 THR HA H 44 5.303 5.303 4.911 0.392 18277 250 1 . 1 1 45 45 THR C C 44 171.480 171.480 172.874 -1.394 18277 251 1 . 1 1 45 45 THR CA C 44 62.732 62.732 61.526 1.206 18277 252 1 . 1 1 45 45 THR CB C 44 72.378 72.378 72.080 0.298 18277 253 1 . 1 1 45 45 THR H H 44 7.551 7.551 8.154 -0.603 18277 254 1 . 1 1 46 46 LEU N N 45 130.323 130.323 127.074 3.249 18277 255 1 . 1 1 46 46 LEU HA H 45 4.954 4.954 5.062 -0.108 18277 256 1 . 1 1 46 46 LEU C C 45 174.048 174.048 173.980 0.068 18277 257 1 . 1 1 46 46 LEU CA C 45 53.357 53.357 53.502 -0.145 18277 258 1 . 1 1 46 46 LEU CB C 45 45.735 45.735 45.997 -0.262 18277 259 1 . 1 1 46 46 LEU H H 45 9.590 9.590 8.708 0.882 18277 260 1 . 1 1 47 47 LEU N N 46 127.468 127.468 127.424 0.044 18277 261 1 . 1 1 47 47 LEU HA H 46 5.150 5.150 5.126 0.024 18277 262 1 . 1 1 47 47 LEU C C 46 173.309 173.309 175.030 -1.721 18277 263 1 . 1 1 47 47 LEU CA C 46 53.587 53.587 53.481 0.106 18277 264 1 . 1 1 47 47 LEU CB C 46 45.122 45.122 43.606 1.516 18277 265 1 . 1 1 47 47 LEU H H 46 9.673 9.673 9.148 0.525 18277 266 1 . 1 1 48 48 GLU N N 47 131.371 131.371 127.763 3.608 18277 267 1 . 1 1 48 48 GLU HA H 47 5.222 5.222 4.726 0.496 18277 268 1 . 1 1 48 48 GLU C C 47 173.970 173.970 174.848 -0.878 18277 269 1 . 1 1 48 48 GLU CA C 47 54.673 54.673 56.035 -1.362 18277 270 1 . 1 1 48 48 GLU CB C 47 31.910 31.910 30.625 1.285 18277 271 1 . 1 1 48 48 GLU H H 47 9.400 9.400 8.543 0.857 18277 272 1 . 1 1 49 49 LEU N N 48 129.742 129.742 127.146 2.596 18277 273 1 . 1 1 49 49 LEU HA H 48 4.987 4.987 4.540 0.447 18277 274 1 . 1 1 49 49 LEU C C 48 174.115 174.115 174.918 -0.803 18277 275 1 . 1 1 49 49 LEU CA C 48 54.673 54.673 54.038 0.634 18277 276 1 . 1 1 49 49 LEU CB C 48 45.638 45.638 44.026 1.613 18277 277 1 . 1 1 49 49 LEU H H 48 9.433 9.433 8.080 1.353 18277 278 1 . 1 1 50 50 HIS N N 49 126.356 126.356 124.419 1.937 18277 279 1 . 1 1 50 50 HIS HA H 49 5.420 5.420 5.589 -0.169 18277 280 1 . 1 1 50 50 HIS C C 49 174.293 174.293 174.610 -0.317 18277 281 1 . 1 1 50 50 HIS CA C 49 55.626 55.626 53.484 2.142 18277 282 1 . 1 1 50 50 HIS CB C 49 33.850 33.850 32.092 1.758 18277 283 1 . 1 1 50 50 HIS H H 49 9.575 9.575 8.902 0.673 18277 284 1 . 1 1 51 51 ILE N N 50 123.679 123.679 125.687 -2.008 18277 285 1 . 1 1 51 51 ILE HA H 50 5.246 5.246 4.700 0.546 18277 286 1 . 1 1 51 51 ILE C C 50 175.021 175.021 173.979 1.042 18277 287 1 . 1 1 51 51 ILE CA C 50 60.592 60.592 59.822 0.770 18277 288 1 . 1 1 51 51 ILE CB C 50 40.771 40.771 40.066 0.705 18277 289 1 . 1 1 51 51 ILE H H 50 8.991 8.991 8.464 0.527 18277 290 1 . 1 1 52 52 TYR N N 51 126.281 126.281 125.150 1.131 18277 291 1 . 1 1 52 52 TYR HA H 51 5.471 5.471 5.396 0.075 18277 292 1 . 1 1 52 52 TYR C C 51 171.145 171.145 173.195 -2.050 18277 293 1 . 1 1 52 52 TYR CA C 51 55.612 55.612 55.372 0.240 18277 294 1 . 1 1 52 52 TYR CB C 51 41.121 41.121 40.808 0.313 18277 295 1 . 1 1 52 52 TYR H H 51 9.189 9.189 7.913 1.276 18277 296 1 . 1 1 53 53 TYR N N 52 120.025 120.025 123.202 -3.177 18277 297 1 . 1 1 53 53 TYR HA H 52 3.807 3.807 4.137 -0.330 18277 298 1 . 1 1 53 53 TYR C C 52 173.874 173.874 174.076 -0.202 18277 299 1 . 1 1 53 53 TYR CA C 52 56.962 56.962 57.535 -0.573 18277 300 1 . 1 1 53 53 TYR CB C 52 39.544 39.544 39.811 -0.267 18277 301 1 . 1 1 53 53 TYR H H 52 7.985 7.985 8.617 -0.632 18277 302 1 . 1 1 54 54 ASP N N 53 127.411 127.411 124.489 2.922 18277 303 1 . 1 1 54 54 ASP HA H 53 4.693 4.693 4.775 -0.082 18277 304 1 . 1 1 54 54 ASP C C 53 175.962 175.962 175.511 0.451 18277 305 1 . 1 1 54 54 ASP CA C 53 52.977 52.977 51.988 0.989 18277 306 1 . 1 1 54 54 ASP CB C 53 43.028 43.028 42.686 0.342 18277 307 1 . 1 1 54 54 ASP H H 53 7.449 7.449 7.836 -0.387 18277 308 1 . 1 1 55 55 HIS N N 54 124.486 124.486 122.884 1.602 18277 309 1 . 1 1 55 55 HIS HA H 54 3.979 3.979 4.325 -0.346 18277 310 1 . 1 1 55 55 HIS C C 54 175.406 175.406 175.167 0.239 18277 311 1 . 1 1 55 55 HIS CA C 54 58.617 58.617 56.969 1.648 18277 312 1 . 1 1 55 55 HIS CB C 54 31.417 31.417 29.446 1.971 18277 313 1 . 1 1 55 55 HIS H H 54 8.512 8.512 8.723 -0.210 18277 314 1 . 1 1 56 56 VAL N N 55 120.625 120.625 118.521 2.104 18277 315 1 . 1 1 56 56 VAL HA H 55 3.536 3.536 3.769 -0.233 18277 316 1 . 1 1 56 56 VAL C C 55 177.379 177.379 176.241 1.139 18277 317 1 . 1 1 56 56 VAL CA C 55 65.174 65.174 64.989 0.185 18277 318 1 . 1 1 56 56 VAL CB C 55 31.274 31.274 31.961 -0.687 18277 319 1 . 1 1 56 56 VAL H H 55 8.397 8.397 7.818 0.579 18277 320 1 . 1 1 57 57 TYR N N 56 115.771 115.771 115.178 0.593 18277 321 1 . 1 1 57 57 TYR HA H 56 4.266 4.266 4.652 -0.386 18277 322 1 . 1 1 57 57 TYR C C 56 174.645 174.645 175.122 -0.477 18277 323 1 . 1 1 57 57 TYR CA C 56 58.726 58.726 57.427 1.299 18277 324 1 . 1 1 57 57 TYR CB C 56 39.566 39.566 39.654 -0.088 18277 325 1 . 1 1 57 57 TYR H H 56 7.641 7.641 7.476 0.165 18277 326 1 . 1 1 58 58 HIS N N 57 116.177 116.177 115.893 0.284 18277 327 1 . 1 1 58 58 HIS HA H 57 3.747 3.747 4.132 -0.385 18277 328 1 . 1 1 58 58 HIS C C 57 172.860 172.860 173.240 -0.380 18277 329 1 . 1 1 58 58 HIS CA C 57 56.648 56.648 57.404 -0.756 18277 330 1 . 1 1 58 58 HIS CB C 57 25.302 25.302 27.222 -1.920 18277 331 1 . 1 1 58 58 HIS H H 57 7.764 7.764 7.796 -0.032 18277 332 1 . 1 1 59 59 VAL N N 58 104.729 104.729 111.387 -6.658 18277 333 1 . 1 1 59 59 VAL HA H 58 4.700 4.700 4.527 0.173 18277 334 1 . 1 1 59 59 VAL CA C 58 56.332 56.332 58.385 -2.053 18277 335 1 . 1 1 59 59 VAL CB C 58 34.213 34.213 33.653 0.560 18277 336 1 . 1 1 59 59 VAL H H 58 6.310 6.310 7.192 -0.882 18277 337 1 . 1 1 60 60 PRO HA H 59 4.345 4.345 4.166 0.179 18277 338 1 . 1 1 60 60 PRO C C 59 174.254 174.254 175.443 -1.189 18277 339 1 . 1 1 60 60 PRO CA C 59 61.590 61.590 61.761 -0.171 18277 340 1 . 1 1 60 60 PRO CB C 59 29.776 29.776 31.456 -1.680 18277 341 1 . 1 1 61 61 SER N N 60 116.530 116.530 114.374 2.156 18277 342 1 . 1 1 61 61 SER HA H 60 4.899 4.899 4.722 0.177 18277 343 1 . 1 1 61 61 SER CA C 60 57.691 57.691 56.354 1.337 18277 344 1 . 1 1 61 61 SER CB C 60 66.483 66.483 65.526 0.957 18277 345 1 . 1 1 61 61 SER H H 60 8.854 8.854 8.073 0.782 18277 346 1 . 1 1 62 62 ILE HA H 61 5.704 5.704 4.599 1.105 18277 347 1 . 1 1 62 62 ILE C C 61 176.160 176.160 174.036 2.124 18277 348 1 . 1 1 62 62 ILE CA C 61 59.918 59.918 61.021 -1.103 18277 349 1 . 1 1 62 62 ILE CB C 61 42.789 42.789 42.461 0.328 18277 350 1 . 1 1 63 63 LYS N N 62 123.794 123.794 127.333 -3.539 18277 351 1 . 1 1 63 63 LYS HA H 62 5.694 5.694 4.963 0.731 18277 352 1 . 1 1 63 63 LYS C C 62 174.598 174.598 174.402 0.196 18277 353 1 . 1 1 63 63 LYS CA C 62 54.508 54.508 55.384 -0.876 18277 354 1 . 1 1 63 63 LYS CB C 62 35.703 35.703 35.485 0.218 18277 355 1 . 1 1 63 63 LYS H H 62 9.011 9.011 8.638 0.373 18277 356 1 . 1 1 64 64 PHE N N 63 116.267 116.267 122.070 -5.803 18277 357 1 . 1 1 64 64 PHE HA H 63 6.313 6.313 5.397 0.916 18277 358 1 . 1 1 64 64 PHE C C 63 173.139 173.139 173.584 -0.445 18277 359 1 . 1 1 64 64 PHE CA C 63 56.593 56.593 55.375 1.218 18277 360 1 . 1 1 64 64 PHE CB C 63 42.941 42.941 42.796 0.145 18277 361 1 . 1 1 64 64 PHE H H 63 9.776 9.776 7.850 1.926 18277 362 1 . 1 1 65 65 ARG N N 64 116.428 116.428 119.171 -2.743 18277 363 1 . 1 1 65 65 ARG HA H 64 4.781 4.781 4.846 -0.065 18277 364 1 . 1 1 65 65 ARG C C 64 173.867 173.867 174.852 -0.985 18277 365 1 . 1 1 65 65 ARG CA C 64 55.757 55.757 54.792 0.965 18277 366 1 . 1 1 65 65 ARG CB C 64 35.068 35.068 33.212 1.856 18277 367 1 . 1 1 65 65 ARG H H 64 9.257 9.257 8.363 0.894 18277 368 1 . 1 1 66 66 LEU N N 65 121.826 121.826 123.992 -2.166 18277 369 1 . 1 1 66 66 LEU HA H 65 5.449 5.449 4.452 0.997 18277 370 1 . 1 1 66 66 LEU C C 65 174.002 174.002 176.672 -2.670 18277 371 1 . 1 1 66 66 LEU CA C 65 53.826 53.826 55.599 -1.773 18277 372 1 . 1 1 66 66 LEU CB C 65 46.672 46.672 42.903 3.769 18277 373 1 . 1 1 66 66 LEU H H 65 9.041 9.041 8.829 0.212 18277 374 1 . 1 1 67 67 TRP N N 66 120.671 120.671 122.540 -1.869 18277 375 1 . 1 1 67 67 TRP HA H 66 5.323 5.323 5.178 0.145 18277 376 1 . 1 1 67 67 TRP C C 66 175.763 175.763 175.448 0.315 18277 377 1 . 1 1 67 67 TRP CA C 66 55.082 55.082 56.500 -1.418 18277 378 1 . 1 1 67 67 TRP CB C 66 33.171 33.171 33.697 -0.526 18277 379 1 . 1 1 67 67 TRP H H 66 9.366 9.366 8.845 0.521 18277 380 1 . 1 1 68 68 SER N N 67 117.273 117.273 117.302 -0.029 18277 381 1 . 1 1 68 68 SER HA H 67 5.297 5.297 5.067 0.230 18277 382 1 . 1 1 68 68 SER C C 67 174.327 174.327 174.308 0.019 18277 383 1 . 1 1 68 68 SER CA C 67 56.883 56.883 56.650 0.233 18277 384 1 . 1 1 68 68 SER CB C 67 65.230 65.230 63.761 1.469 18277 385 1 . 1 1 68 68 SER H H 67 9.750 9.750 9.351 0.399 18277 386 1 . 1 1 69 69 LEU N N 68 126.002 126.002 130.165 -4.162 18277 387 1 . 1 1 69 69 LEU HA H 68 4.758 4.758 4.488 0.270 18277 388 1 . 1 1 69 69 LEU C C 68 176.022 176.022 176.346 -0.324 18277 389 1 . 1 1 69 69 LEU CA C 68 54.379 54.379 55.864 -1.485 18277 390 1 . 1 1 69 69 LEU CB C 68 43.371 43.371 42.496 0.875 18277 391 1 . 1 1 69 69 LEU H H 68 8.119 8.119 8.206 -0.087 18277 392 1 . 1 1 70 70 ASP N N 69 124.828 124.828 125.526 -0.698 18277 393 1 . 1 1 70 70 ASP HA H 69 4.781 4.781 4.933 -0.152 18277 394 1 . 1 1 70 70 ASP C C 69 176.396 176.396 175.836 0.560 18277 395 1 . 1 1 70 70 ASP CA C 69 54.383 54.383 53.588 0.795 18277 396 1 . 1 1 70 70 ASP CB C 69 41.992 41.992 42.996 -1.004 18277 397 1 . 1 1 70 70 ASP H H 69 8.572 8.572 8.060 0.512 18277 398 1 . 1 1 71 71 THR N N 70 114.913 114.913 114.913 0.000 18277 399 1 . 1 1 71 71 THR HA H 70 4.531 4.531 4.488 0.043 18277 400 1 . 1 1 71 71 THR C C 70 174.451 174.451 174.994 -0.543 18277 401 1 . 1 1 71 71 THR CA C 70 61.742 61.742 61.282 0.460 18277 402 1 . 1 1 71 71 THR CB C 70 69.950 69.950 68.809 1.141 18277 403 1 . 1 1 71 71 THR H H 70 8.403 8.403 8.483 -0.080 18277 404 1 . 1 1 72 72 GLU N N 71 123.605 123.605 121.729 1.876 18277 405 1 . 1 1 72 72 GLU HA H 71 4.241 4.241 4.071 0.170 18277 406 1 . 1 1 72 72 GLU C C 71 176.451 176.451 177.267 -0.816 18277 407 1 . 1 1 72 72 GLU CA C 71 57.207 57.207 58.905 -1.698 18277 408 1 . 1 1 72 72 GLU CB C 71 30.410 30.410 29.600 0.810 18277 409 1 . 1 1 72 72 GLU H H 71 8.542 8.542 8.601 -0.059 18277 410 1 . 1 1 73 73 GLU N N 72 119.641 119.641 116.819 2.822 18277 411 1 . 1 1 73 73 GLU HA H 72 4.111 4.111 4.399 -0.287 18277 412 1 . 1 1 73 73 GLU C C 72 175.577 175.577 175.601 -0.024 18277 413 1 . 1 1 73 73 GLU CA C 72 57.097 57.097 56.031 1.066 18277 414 1 . 1 1 73 73 GLU CB C 72 29.343 29.343 30.298 -0.955 18277 415 1 . 1 1 73 73 GLU H H 72 8.503 8.503 8.123 0.380 18277 416 1 . 1 1 74 74 ASP N N 73 117.882 117.882 118.688 -0.806 18277 417 1 . 1 1 74 74 ASP HA H 73 4.571 4.571 4.414 0.157 18277 418 1 . 1 1 74 74 ASP C C 73 176.077 176.077 175.430 0.647 18277 419 1 . 1 1 74 74 ASP CA C 73 54.494 54.494 55.034 -0.540 18277 420 1 . 1 1 74 74 ASP CB C 73 40.938 40.938 39.347 1.591 18277 421 1 . 1 1 74 74 ASP H H 73 8.228 8.228 8.271 -0.043 18277 422 1 . 1 1 75 75 ILE N N 74 120.809 120.809 113.834 6.975 18277 423 1 . 1 1 75 75 ILE HA H 74 4.209 4.209 4.328 -0.119 18277 424 1 . 1 1 75 75 ILE C C 74 175.939 175.939 175.901 0.038 18277 425 1 . 1 1 75 75 ILE CA C 74 61.326 61.326 60.766 0.560 18277 426 1 . 1 1 75 75 ILE CB C 74 38.669 38.669 38.175 0.494 18277 427 1 . 1 1 75 75 ILE H H 74 8.089 8.089 8.014 0.075 18277 428 1 . 1 1 76 76 SER N N 75 119.402 119.402 115.664 3.738 18277 429 1 . 1 1 76 76 SER HA H 75 4.652 4.652 4.223 0.429 18277 430 1 . 1 1 76 76 SER C C 75 174.313 174.313 174.141 0.172 18277 431 1 . 1 1 76 76 SER CA C 75 58.778 58.778 58.623 0.155 18277 432 1 . 1 1 76 76 SER CB C 75 63.860 63.860 62.649 1.211 18277 433 1 . 1 1 76 76 SER H H 75 8.449 8.449 8.159 0.290 18277 434 1 . 1 1 77 77 SER N N 76 118.644 118.644 115.397 3.247 18277 435 1 . 1 1 77 77 SER HA H 76 4.588 4.588 4.524 0.064 18277 436 1 . 1 1 77 77 SER C C 76 173.094 173.094 173.343 -0.249 18277 437 1 . 1 1 77 77 SER CA C 76 57.772 57.772 58.432 -0.660 18277 438 1 . 1 1 77 77 SER CB C 76 64.461 64.461 64.225 0.236 18277 439 1 . 1 1 77 77 SER H H 76 8.280 8.280 7.741 0.539 18277 440 1 . 1 1 78 78 LEU N N 77 123.896 123.896 114.676 9.220 18277 441 1 . 1 1 78 78 LEU HA H 77 4.998 4.998 5.048 -0.050 18277 442 1 . 1 1 78 78 LEU C C 77 177.081 177.081 175.174 1.907 18277 443 1 . 1 1 78 78 LEU CA C 77 55.008 55.008 54.473 0.535 18277 444 1 . 1 1 78 78 LEU CB C 77 44.021 44.021 45.331 -1.310 18277 445 1 . 1 1 78 78 LEU H H 77 7.981 7.981 8.205 -0.224 18277 446 1 . 1 1 79 79 ARG N N 78 123.195 123.195 120.595 2.600 18277 447 1 . 1 1 79 79 ARG HA H 78 4.959 4.959 4.796 0.163 18277 448 1 . 1 1 79 79 ARG C C 78 174.994 174.994 174.498 0.496 18277 449 1 . 1 1 79 79 ARG CA C 78 54.664 54.664 55.050 -0.386 18277 450 1 . 1 1 79 79 ARG CB C 78 33.280 33.280 33.210 0.070 18277 451 1 . 1 1 79 79 ARG H H 78 9.013 9.013 8.269 0.744 18277 452 1 . 1 1 80 80 LEU N N 79 128.388 128.388 126.426 1.962 18277 453 1 . 1 1 80 80 LEU HA H 79 3.778 3.778 3.887 -0.109 18277 454 1 . 1 1 80 80 LEU C C 79 177.216 177.216 175.696 1.520 18277 455 1 . 1 1 80 80 LEU CA C 79 56.049 56.049 55.617 0.432 18277 456 1 . 1 1 80 80 LEU CB C 79 42.285 42.285 41.879 0.406 18277 457 1 . 1 1 80 80 LEU H H 79 8.807 8.807 8.667 0.140 18277 458 1 . 1 1 81 81 LEU N N 80 127.521 127.521 127.527 -0.006 18277 459 1 . 1 1 81 81 LEU HA H 80 4.563 4.563 4.599 -0.036 18277 460 1 . 1 1 81 81 LEU C C 80 176.354 176.354 176.245 0.109 18277 461 1 . 1 1 81 81 LEU CA C 80 54.161 54.161 54.291 -0.130 18277 462 1 . 1 1 81 81 LEU CB C 80 43.410 43.410 43.527 -0.117 18277 463 1 . 1 1 81 81 LEU H H 80 8.478 8.478 8.293 0.184 18277 464 1 . 1 1 82 82 THR N N 81 121.108 121.108 116.036 5.072 18277 465 1 . 1 1 82 82 THR HA H 81 4.391 4.391 4.710 -0.319 18277 466 1 . 1 1 82 82 THR C C 81 173.678 173.678 173.871 -0.193 18277 467 1 . 1 1 82 82 THR CA C 81 61.112 61.112 61.585 -0.473 18277 468 1 . 1 1 82 82 THR CB C 81 68.941 68.941 69.101 -0.160 18277 469 1 . 1 1 82 82 THR H H 81 8.735 8.735 8.179 0.556 18277 470 1 . 1 1 83 83 LEU N N 82 125.276 125.276 124.074 1.202 18277 471 1 . 1 1 83 83 LEU HA H 82 4.771 4.771 4.968 -0.197 18277 472 1 . 1 1 83 83 LEU C C 82 177.192 177.192 175.741 1.451 18277 473 1 . 1 1 83 83 LEU CA C 82 53.414 53.414 53.050 0.364 18277 474 1 . 1 1 83 83 LEU CB C 82 44.525 44.525 43.950 0.575 18277 475 1 . 1 1 83 83 LEU H H 82 7.985 7.985 8.142 -0.157 18277 476 1 . 1 1 84 84 SER N N 83 118.590 118.590 115.451 3.139 18277 477 1 . 1 1 84 84 SER HA H 83 4.591 4.591 4.411 0.180 18277 478 1 . 1 1 84 84 SER C C 83 174.317 174.317 175.226 -0.909 18277 479 1 . 1 1 84 84 SER CA C 83 57.202 57.202 58.573 -1.371 18277 480 1 . 1 1 84 84 SER CB C 83 65.345 65.345 64.016 1.329 18277 481 1 . 1 1 84 84 SER H H 83 9.214 9.214 8.555 0.659 18277 482 1 . 1 1 85 85 ASP N N 84 121.149 121.149 120.809 0.340 18277 483 1 . 1 1 85 85 ASP HA H 84 4.343 4.343 4.506 -0.163 18277 484 1 . 1 1 85 85 ASP C C 84 178.027 178.027 178.249 -0.222 18277 485 1 . 1 1 85 85 ASP CA C 84 58.791 58.791 57.334 1.457 18277 486 1 . 1 1 85 85 ASP CB C 84 41.986 41.986 40.540 1.446 18277 487 1 . 1 1 85 85 ASP H H 84 9.014 9.014 8.797 0.217 18277 488 1 . 1 1 86 86 SER N N 85 111.874 111.874 114.684 -2.810 18277 489 1 . 1 1 86 86 SER HA H 85 4.110 4.110 4.208 -0.098 18277 490 1 . 1 1 86 86 SER C C 85 177.696 177.696 175.914 1.782 18277 491 1 . 1 1 86 86 SER CA C 85 61.560 61.560 61.195 0.365 18277 492 1 . 1 1 86 86 SER CB C 85 62.355 62.355 62.900 -0.545 18277 493 1 . 1 1 86 86 SER H H 85 8.467 8.467 8.391 0.076 18277 494 1 . 1 1 87 87 GLU N N 86 122.948 122.948 119.016 3.932 18277 495 1 . 1 1 87 87 GLU HA H 86 4.077 4.077 4.214 -0.137 18277 496 1 . 1 1 87 87 GLU C C 86 180.335 180.335 178.383 1.952 18277 497 1 . 1 1 87 87 GLU CA C 86 59.036 59.036 58.149 0.887 18277 498 1 . 1 1 87 87 GLU CB C 86 30.819 30.819 29.657 1.162 18277 499 1 . 1 1 87 87 GLU H H 86 7.660 7.660 8.094 -0.434 18277 500 1 . 1 1 88 88 LEU N N 87 122.341 122.341 121.602 0.739 18277 501 1 . 1 1 88 88 LEU HA H 87 3.883 3.883 4.100 -0.217 18277 502 1 . 1 1 88 88 LEU C C 87 178.818 178.818 178.235 0.583 18277 503 1 . 1 1 88 88 LEU CA C 87 58.074 58.074 57.354 0.720 18277 504 1 . 1 1 88 88 LEU CB C 87 42.371 42.371 41.932 0.439 18277 505 1 . 1 1 88 88 LEU H H 87 8.878 8.878 7.875 1.003 18277 506 1 . 1 1 89 89 ARG N N 88 115.874 115.874 118.784 -2.910 18277 507 1 . 1 1 89 89 ARG HA H 88 4.126 4.126 4.022 0.104 18277 508 1 . 1 1 89 89 ARG C C 88 176.552 176.552 177.838 -1.286 18277 509 1 . 1 1 89 89 ARG CA C 88 58.720 58.720 58.061 0.659 18277 510 1 . 1 1 89 89 ARG CB C 88 29.785 29.785 29.450 0.335 18277 511 1 . 1 1 89 89 ARG H H 88 7.956 7.956 8.431 -0.475 18277 512 1 . 1 1 90 90 SER N N 89 112.295 112.295 113.461 -1.166 18277 513 1 . 1 1 90 90 SER HA H 89 4.565 4.565 4.267 0.298 18277 514 1 . 1 1 90 90 SER C C 89 174.817 174.817 175.565 -0.748 18277 515 1 . 1 1 90 90 SER CA C 89 60.043 60.043 60.771 -0.728 18277 516 1 . 1 1 90 90 SER CB C 89 63.858 63.858 63.227 0.631 18277 517 1 . 1 1 90 90 SER H H 89 7.481 7.481 7.654 -0.173 18277 518 1 . 1 1 91 91 ILE N N 90 116.577 116.577 114.002 2.575 18277 519 1 . 1 1 91 91 ILE HA H 90 4.438 4.438 4.301 0.137 18277 520 1 . 1 1 91 91 ILE C C 90 174.636 174.636 175.475 -0.839 18277 521 1 . 1 1 91 91 ILE CA C 90 62.262 62.262 61.349 0.912 18277 522 1 . 1 1 91 91 ILE CB C 90 40.609 40.609 38.850 1.759 18277 523 1 . 1 1 91 91 ILE H H 90 7.372 7.372 7.580 -0.209 18277 524 1 . 1 1 92 92 LEU N N 91 119.723 119.723 119.396 0.327 18277 525 1 . 1 1 92 92 LEU HA H 91 4.641 4.641 4.367 0.274 18277 526 1 . 1 1 92 92 LEU C C 91 175.178 175.178 176.058 -0.880 18277 527 1 . 1 1 92 92 LEU CA C 91 52.813 52.813 54.139 -1.326 18277 528 1 . 1 1 92 92 LEU CB C 91 43.673 43.673 42.947 0.726 18277 529 1 . 1 1 92 92 LEU H H 91 7.900 7.900 7.623 0.277 18277 530 1 . 1 1 93 93 ASN N N 92 119.687 119.687 118.275 1.412 18277 531 1 . 1 1 93 93 ASN HA H 92 4.983 4.983 4.873 0.110 18277 532 1 . 1 1 93 93 ASN C C 92 174.978 174.978 174.552 0.426 18277 533 1 . 1 1 93 93 ASN CA C 92 51.371 51.371 52.305 -0.934 18277 534 1 . 1 1 93 93 ASN CB C 92 37.731 37.731 39.655 -1.924 18277 535 1 . 1 1 93 93 ASN H H 92 8.916 8.916 8.414 0.502 18277 536 1 . 1 1 94 94 LEU N N 93 121.052 121.052 124.111 -3.059 18277 537 1 . 1 1 94 94 LEU HA H 93 3.946 3.946 4.393 -0.447 18277 538 1 . 1 1 94 94 LEU C C 93 177.367 177.367 178.487 -1.120 18277 539 1 . 1 1 94 94 LEU CA C 93 57.051 57.051 56.558 0.493 18277 540 1 . 1 1 94 94 LEU CB C 93 42.772 42.772 41.856 0.916 18277 541 1 . 1 1 94 94 LEU H H 93 8.172 8.172 8.649 -0.477 18277 542 1 . 1 1 95 95 GLY N N 94 105.340 105.340 107.552 -2.212 18277 543 1 . 1 1 95 95 GLY C C 94 176.133 176.133 175.749 0.384 18277 544 1 . 1 1 95 95 GLY CA C 94 47.349 47.349 47.135 0.214 18277 545 1 . 1 1 95 95 GLY H H 94 8.281 8.281 8.235 0.046 18277 546 1 . 1 1 96 96 THR N N 95 117.040 117.040 117.850 -0.810 18277 547 1 . 1 1 96 96 THR HA H 95 4.242 4.242 4.467 -0.225 18277 548 1 . 1 1 96 96 THR C C 95 175.349 175.349 174.805 0.544 18277 549 1 . 1 1 96 96 THR CA C 95 61.859 61.859 61.384 0.475 18277 550 1 . 1 1 96 96 THR CB C 95 68.399 68.399 69.668 -1.269 18277 551 1 . 1 1 96 96 THR H H 95 8.419 8.419 8.037 0.382 18277 552 1 . 1 1 97 97 PHE N N 96 122.590 122.590 121.344 1.246 18277 553 1 . 1 1 97 97 PHE HA H 96 4.722 4.722 4.493 0.229 18277 554 1 . 1 1 97 97 PHE C C 96 174.704 174.704 175.433 -0.729 18277 555 1 . 1 1 97 97 PHE CA C 96 58.599 58.599 58.914 -0.315 18277 556 1 . 1 1 97 97 PHE CB C 96 39.149 39.149 40.255 -1.106 18277 557 1 . 1 1 97 97 PHE H H 96 8.517 8.517 8.387 0.130 18277 558 1 . 1 1 98 98 SER N N 97 114.201 114.201 113.829 0.372 18277 559 1 . 1 1 98 98 SER HA H 97 4.859 4.859 4.794 0.065 18277 560 1 . 1 1 98 98 SER C C 97 173.002 173.002 172.631 0.371 18277 561 1 . 1 1 98 98 SER CA C 97 57.346 57.346 57.857 -0.511 18277 562 1 . 1 1 98 98 SER CB C 97 65.739 65.739 65.964 -0.225 18277 563 1 . 1 1 98 98 SER H H 97 9.129 9.129 8.583 0.546 18277 564 1 . 1 1 99 99 VAL N N 98 120.191 120.191 119.959 0.232 18277 565 1 . 1 1 99 99 VAL HA H 98 5.519 5.519 4.631 0.888 18277 566 1 . 1 1 99 99 VAL C C 98 175.574 175.574 174.516 1.058 18277 567 1 . 1 1 99 99 VAL CA C 98 59.390 59.390 60.685 -1.295 18277 568 1 . 1 1 99 99 VAL CB C 98 35.426 35.426 35.913 -0.487 18277 569 1 . 1 1 99 99 VAL H H 98 8.655 8.655 8.542 0.113 18277 570 1 . 1 1 100 100 THR N N 99 120.623 120.623 120.449 0.174 18277 571 1 . 1 1 100 100 THR HA H 99 4.729 4.729 4.685 0.044 18277 572 1 . 1 1 100 100 THR C C 99 172.605 172.605 172.502 0.103 18277 573 1 . 1 1 100 100 THR CA C 99 61.114 61.114 61.715 -0.601 18277 574 1 . 1 1 100 100 THR CB C 99 71.850 71.850 70.709 1.141 18277 575 1 . 1 1 100 100 THR H H 99 8.997 8.997 8.713 0.284 18277 576 1 . 1 1 101 101 LEU N N 100 127.613 127.613 129.358 -1.745 18277 577 1 . 1 1 101 101 LEU HA H 100 4.949 4.949 4.999 -0.050 18277 578 1 . 1 1 101 101 LEU C C 100 176.666 176.666 175.755 0.911 18277 579 1 . 1 1 101 101 LEU CA C 100 54.689 54.689 53.955 0.734 18277 580 1 . 1 1 101 101 LEU CB C 100 43.166 43.166 43.227 -0.061 18277 581 1 . 1 1 101 101 LEU H H 100 8.766 8.766 8.616 0.150 18277 582 1 . 1 1 102 102 SER N N 101 119.771 119.771 122.098 -2.327 18277 583 1 . 1 1 102 102 SER HA H 101 4.749 4.749 4.894 -0.145 18277 584 1 . 1 1 102 102 SER C C 101 173.477 173.477 172.785 0.692 18277 585 1 . 1 1 102 102 SER CA C 101 57.514 57.514 56.913 0.601 18277 586 1 . 1 1 102 102 SER CB C 101 65.024 65.024 65.456 -0.432 18277 587 1 . 1 1 102 102 SER H H 101 8.926 8.926 8.783 0.143 18277 588 1 . 1 1 103 103 THR N N 102 117.853 117.853 119.121 -1.268 18277 589 1 . 1 1 103 103 THR HA H 102 4.618 4.618 4.731 -0.113 18277 590 1 . 1 1 103 103 THR C C 102 174.020 174.020 173.612 0.408 18277 591 1 . 1 1 103 103 THR CA C 102 61.991 61.991 61.041 0.950 18277 592 1 . 1 1 103 103 THR CB C 102 69.972 69.972 71.381 -1.409 18277 593 1 . 1 1 103 103 THR H H 102 8.409 8.409 8.350 0.059 18277 594 1 . 1 1 104 104 ASP N N 103 125.295 125.295 123.125 2.170 18277 595 1 . 1 1 104 104 ASP HA H 103 4.708 4.708 4.882 -0.174 18277 596 1 . 1 1 104 104 ASP C C 103 176.908 176.908 178.205 -1.297 18277 597 1 . 1 1 104 104 ASP CA C 103 53.559 53.559 53.139 0.420 18277 598 1 . 1 1 104 104 ASP CB C 103 42.245 42.245 42.695 -0.450 18277 599 1 . 1 1 104 104 ASP H H 103 8.598 8.598 8.272 0.326 18277 600 1 . 1 1 105 105 MET N N 104 122.470 122.470 121.140 1.330 18277 601 1 . 1 1 105 105 MET HA H 104 4.270 4.270 4.265 0.005 18277 602 1 . 1 1 105 105 MET C C 104 177.354 177.354 176.665 0.689 18277 603 1 . 1 1 105 105 MET CA C 104 57.300 57.300 57.928 -0.628 18277 604 1 . 1 1 105 105 MET CB C 104 32.108 32.108 32.530 -0.422 18277 605 1 . 1 1 105 105 MET H H 104 8.719 8.719 8.615 0.104 18277 606 1 . 1 1 106 106 GLU N N 105 118.752 118.752 118.134 0.618 18277 607 1 . 1 1 106 106 GLU HA H 105 4.236 4.236 4.210 0.026 18277 608 1 . 1 1 106 106 GLU C C 105 177.172 177.172 176.623 0.549 18277 609 1 . 1 1 106 106 GLU CA C 105 57.729 57.729 56.671 1.058 18277 610 1 . 1 1 106 106 GLU CB C 105 29.776 29.776 29.880 -0.104 18277 611 1 . 1 1 106 106 GLU H H 105 8.306 8.306 8.013 0.293 18277 612 1 . 1 1 107 107 MET N N 106 116.736 116.736 115.447 1.289 18277 613 1 . 1 1 107 107 MET HA H 106 4.329 4.329 4.113 0.216 18277 614 1 . 1 1 107 107 MET C C 106 176.319 176.319 175.447 0.872 18277 615 1 . 1 1 107 107 MET CA C 106 55.514 55.514 56.481 -0.967 18277 616 1 . 1 1 107 107 MET CB C 106 31.566 31.566 31.526 0.040 18277 617 1 . 1 1 107 107 MET H H 106 8.206 8.206 7.919 0.287 18277 618 1 . 1 1 108 108 LYS N N 107 117.661 117.661 117.486 0.175 18277 619 1 . 1 1 108 108 LYS HA H 107 4.086 4.086 4.300 -0.214 18277 620 1 . 1 1 108 108 LYS C C 107 176.049 176.049 175.907 0.142 18277 621 1 . 1 1 108 108 LYS CA C 107 57.100 57.100 56.874 0.226 18277 622 1 . 1 1 108 108 LYS CB C 107 30.890 30.890 33.011 -2.121 18277 623 1 . 1 1 108 108 LYS H H 107 8.382 8.382 8.085 0.297 18277 624 1 . 1 1 109 109 SER N N 108 113.019 113.019 115.233 -2.214 18277 625 1 . 1 1 109 109 SER HA H 108 4.566 4.566 4.560 0.006 18277 626 1 . 1 1 109 109 SER C C 108 172.969 172.969 172.306 0.663 18277 627 1 . 1 1 109 109 SER CA C 108 56.997 56.997 57.263 -0.266 18277 628 1 . 1 1 109 109 SER CB C 108 65.035 65.035 64.891 0.144 18277 629 1 . 1 1 109 109 SER H H 108 7.892 7.892 7.664 0.228 18277 630 1 . 1 1 110 110 VAL N N 109 121.915 121.915 121.664 0.251 18277 631 1 . 1 1 110 110 VAL HA H 109 4.402 4.402 4.458 -0.056 18277 632 1 . 1 1 110 110 VAL C C 109 174.706 174.706 173.907 0.799 18277 633 1 . 1 1 110 110 VAL CA C 109 61.974 61.974 60.318 1.656 18277 634 1 . 1 1 110 110 VAL CB C 109 33.080 33.080 35.127 -2.047 18277 635 1 . 1 1 110 110 VAL H H 109 7.878 7.878 7.937 -0.059 18277 636 1 . 1 1 111 111 TYR N N 110 122.247 122.247 119.320 2.927 18277 637 1 . 1 1 111 111 TYR HA H 110 4.336 4.336 4.701 -0.365 18277 638 1 . 1 1 111 111 TYR C C 110 173.915 173.915 173.764 0.151 18277 639 1 . 1 1 111 111 TYR CA C 110 57.263 57.263 55.521 1.742 18277 640 1 . 1 1 111 111 TYR CB C 110 43.222 43.222 40.677 2.545 18277 641 1 . 1 1 111 111 TYR H H 110 8.317 8.317 8.293 0.024 18277 642 1 . 1 1 112 112 TYR N N 111 117.096 117.096 118.252 -1.156 18277 643 1 . 1 1 112 112 TYR HA H 111 4.869 4.869 4.706 0.163 18277 644 1 . 1 1 112 112 TYR C C 111 175.418 175.418 174.812 0.606 18277 645 1 . 1 1 112 112 TYR CA C 111 57.183 57.183 56.508 0.675 18277 646 1 . 1 1 112 112 TYR CB C 111 38.681 38.681 38.001 0.680 18277 647 1 . 1 1 112 112 TYR H H 111 8.690 8.690 8.580 0.110 18277 648 1 . 1 1 113 113 TYR N N 112 120.208 120.208 122.627 -2.419 18277 649 1 . 1 1 113 113 TYR HA H 112 4.939 4.939 4.906 0.033 18277 650 1 . 1 1 113 113 TYR C C 112 176.674 176.674 176.468 0.206 18277 651 1 . 1 1 113 113 TYR CA C 112 57.567 57.567 58.276 -0.709 18277 652 1 . 1 1 113 113 TYR CB C 112 39.924 39.924 37.851 2.074 18277 653 1 . 1 1 113 113 TYR H H 112 9.374 9.374 8.910 0.464 18277 654 1 . 1 1 114 114 ILE N N 113 121.490 121.490 125.303 -3.812 18277 655 1 . 1 1 114 114 ILE HA H 113 4.821 4.821 4.050 0.771 18277 656 1 . 1 1 114 114 ILE C C 113 176.329 176.329 176.217 0.112 18277 657 1 . 1 1 114 114 ILE CA C 113 60.039 60.039 62.040 -2.001 18277 658 1 . 1 1 114 114 ILE CB C 113 36.965 36.965 38.437 -1.472 18277 659 1 . 1 1 114 114 ILE H H 113 8.076 8.076 8.321 -0.245 18277 660 1 . 1 1 115 115 ASN N N 114 129.212 129.212 125.809 3.403 18277 661 1 . 1 1 115 115 ASN HA H 114 4.701 4.701 4.604 0.097 18277 662 1 . 1 1 115 115 ASN C C 114 175.914 175.914 174.553 1.361 18277 663 1 . 1 1 115 115 ASN CA C 114 55.022 55.022 54.544 0.478 18277 664 1 . 1 1 115 115 ASN CB C 114 38.549 38.549 38.720 -0.171 18277 665 1 . 1 1 115 115 ASN H H 114 8.959 8.959 8.425 0.534 18277 666 1 . 1 1 116 116 ASN N N 115 121.613 121.613 121.554 0.059 18277 667 1 . 1 1 116 116 ASN HA H 115 4.869 4.869 5.091 -0.222 18277 668 1 . 1 1 116 116 ASN C C 115 178.040 178.040 175.064 2.976 18277 669 1 . 1 1 116 116 ASN CA C 115 52.780 52.780 52.804 -0.024 18277 670 1 . 1 1 116 116 ASN CB C 115 39.096 39.096 38.993 0.103 18277 671 1 . 1 1 116 116 ASN H H 115 8.464 8.464 8.431 0.033 18277 672 1 . 1 1 117 117 CYS N N 116 120.777 120.777 117.482 3.295 18277 673 1 . 1 1 117 117 CYS HA H 116 3.744 3.744 3.756 -0.012 18277 674 1 . 1 1 117 117 CYS C C 116 174.635 174.635 174.314 0.321 18277 675 1 . 1 1 117 117 CYS CA C 116 60.087 60.087 59.356 0.731 18277 676 1 . 1 1 117 117 CYS CB C 116 27.456 27.456 27.971 -0.515 18277 677 1 . 1 1 117 117 CYS H H 116 8.256 8.256 7.990 0.266 18277 678 1 . 1 1 118 118 ASP N N 117 119.926 119.926 121.085 -1.159 18277 679 1 . 1 1 118 118 ASP HA H 117 4.899 4.899 4.749 0.150 18277 680 1 . 1 1 118 118 ASP C C 117 176.225 176.225 175.933 0.292 18277 681 1 . 1 1 118 118 ASP CA C 117 53.410 53.410 53.828 -0.418 18277 682 1 . 1 1 118 118 ASP CB C 117 40.174 40.174 39.503 0.671 18277 683 1 . 1 1 118 118 ASP H H 117 8.420 8.420 8.188 0.232 18277 684 1 . 1 1 119 119 THR N N 118 116.185 116.185 115.983 0.202 18277 685 1 . 1 1 119 119 THR HA H 118 4.315 4.315 4.278 0.037 18277 686 1 . 1 1 119 119 THR C C 118 175.349 175.349 175.642 -0.293 18277 687 1 . 1 1 119 119 THR CA C 118 66.029 66.029 66.558 -0.529 18277 688 1 . 1 1 119 119 THR CB C 118 69.654 69.654 69.450 0.204 18277 689 1 . 1 1 119 119 THR H H 118 7.712 7.712 7.873 -0.161 18277 690 1 . 1 1 120 120 ASP N N 119 120.938 120.938 121.135 -0.197 18277 691 1 . 1 1 120 120 ASP HA H 119 4.533 4.533 4.671 -0.138 18277 692 1 . 1 1 120 120 ASP C C 119 177.991 177.991 177.370 0.621 18277 693 1 . 1 1 120 120 ASP CA C 119 56.906 56.906 57.067 -0.161 18277 694 1 . 1 1 120 120 ASP CB C 119 40.937 40.937 40.344 0.593 18277 695 1 . 1 1 120 120 ASP H H 119 8.730 8.730 8.730 0.000 18277 696 1 . 1 1 121 121 ALA N N 120 122.818 122.818 119.650 3.168 18277 697 1 . 1 1 121 121 ALA HA H 120 4.178 4.178 4.269 -0.091 18277 698 1 . 1 1 121 121 ALA C C 120 178.787 178.787 178.446 0.341 18277 699 1 . 1 1 121 121 ALA CA C 120 53.891 53.891 53.721 0.170 18277 700 1 . 1 1 121 121 ALA CB C 120 18.471 18.471 18.753 -0.282 18277 701 1 . 1 1 121 121 ALA H H 120 8.033 8.033 8.232 -0.199 18277 702 1 . 1 1 122 122 ASN N N 121 116.085 116.085 116.922 -0.837 18277 703 1 . 1 1 122 122 ASN HA H 121 4.634 4.634 4.668 -0.034 18277 704 1 . 1 1 122 122 ASN C C 121 176.235 176.235 177.015 -0.781 18277 705 1 . 1 1 122 122 ASN CA C 121 54.496 54.496 54.996 -0.500 18277 706 1 . 1 1 122 122 ASN CB C 121 38.889 38.889 39.395 -0.506 18277 707 1 . 1 1 122 122 ASN H H 121 8.128 8.128 7.970 0.158 18277 708 1 . 1 1 123 123 VAL N N 122 117.803 117.803 118.178 -0.375 18277 709 1 . 1 1 123 123 VAL HA H 122 3.962 3.962 3.998 -0.036 18277 710 1 . 1 1 123 123 VAL C C 122 176.973 176.973 176.789 0.184 18277 711 1 . 1 1 123 123 VAL CA C 122 63.916 63.916 63.893 0.023 18277 712 1 . 1 1 123 123 VAL CB C 122 32.895 32.895 32.591 0.304 18277 713 1 . 1 1 123 123 VAL H H 122 8.262 8.262 8.210 0.052 18277 714 1 . 1 1 124 124 GLY N N 123 110.472 110.472 107.232 3.240 18277 715 1 . 1 1 124 124 GLY C C 123 174.107 174.107 174.589 -0.482 18277 716 1 . 1 1 124 124 GLY CA C 123 45.401 45.401 46.068 -0.667 18277 717 1 . 1 1 124 124 GLY H H 123 8.172 8.172 8.035 0.137 18277 718 1 . 1 1 125 125 SER N N 124 113.065 113.065 115.770 -2.705 18277 719 1 . 1 1 125 125 SER HA H 124 4.529 4.529 4.461 0.068 18277 720 1 . 1 1 125 125 SER C C 124 174.664 174.664 174.388 0.276 18277 721 1 . 1 1 125 125 SER CA C 124 58.981 58.981 59.206 -0.225 18277 722 1 . 1 1 125 125 SER CB C 124 64.492 64.492 64.285 0.208 18277 723 1 . 1 1 125 125 SER H H 124 8.139 8.139 8.318 -0.179 18277 724 1 . 1 1 126 126 ASP N N 125 121.312 121.312 120.807 0.505 18277 725 1 . 1 1 126 126 ASP HA H 125 4.707 4.707 4.686 0.021 18277 726 1 . 1 1 126 126 ASP C C 125 177.029 177.029 176.037 0.992 18277 727 1 . 1 1 126 126 ASP CA C 125 54.232 54.232 54.164 0.068 18277 728 1 . 1 1 126 126 ASP CB C 125 40.878 40.878 42.066 -1.188 18277 729 1 . 1 1 126 126 ASP H H 125 8.146 8.146 8.271 -0.125 18277 730 1 . 1 1 127 127 VAL N N 126 123.444 123.444 120.816 2.628 18277 731 1 . 1 1 127 127 VAL HA H 126 3.826 3.826 3.820 0.006 18277 732 1 . 1 1 127 127 VAL C C 126 177.304 177.304 177.467 -0.163 18277 733 1 . 1 1 127 127 VAL CA C 126 65.899 65.899 64.563 1.336 18277 734 1 . 1 1 127 127 VAL CB C 126 32.222 32.222 31.978 0.244 18277 735 1 . 1 1 127 127 VAL H H 126 8.474 8.474 8.380 0.094 18277 736 1 . 1 1 128 128 GLU N N 127 120.874 120.874 120.124 0.750 18277 737 1 . 1 1 128 128 GLU HA H 127 3.933 3.933 4.179 -0.246 18277 738 1 . 1 1 128 128 GLU CA C 127 58.660 58.660 58.948 -0.288 18277 739 1 . 1 1 128 128 GLU CB C 127 29.080 29.080 29.535 -0.455 18277 740 1 . 1 1 128 128 GLU H H 127 8.504 8.504 8.517 -0.013 18277 741 1 . 1 1 129 129 HIS HA H 128 4.749 4.749 4.921 -0.172 18277 742 1 . 1 1 129 129 HIS C C 128 174.898 174.898 174.780 0.118 18277 743 1 . 1 1 129 129 HIS CA C 128 56.448 56.448 54.283 2.165 18277 744 1 . 1 1 129 129 HIS CB C 128 29.045 29.045 28.905 0.140 18277 745 1 . 1 1 130 130 TYR N N 129 122.615 122.615 122.704 -0.089 18277 746 1 . 1 1 130 130 TYR HA H 129 4.000 4.000 4.395 -0.395 18277 747 1 . 1 1 130 130 TYR C C 129 178.544 178.544 176.740 1.804 18277 748 1 . 1 1 130 130 TYR CA C 129 62.108 62.108 61.819 0.289 18277 749 1 . 1 1 130 130 TYR CB C 129 39.542 39.542 38.969 0.573 18277 750 1 . 1 1 130 130 TYR H H 129 8.118 8.118 7.857 0.261 18277 751 1 . 1 1 131 131 LEU N N 130 116.037 116.037 117.990 -1.953 18277 752 1 . 1 1 131 131 LEU HA H 130 4.349 4.349 4.292 0.057 18277 753 1 . 1 1 131 131 LEU C C 130 179.368 179.368 179.193 0.175 18277 754 1 . 1 1 131 131 LEU CA C 130 58.816 58.816 57.871 0.945 18277 755 1 . 1 1 131 131 LEU CB C 130 41.369 41.369 40.959 0.410 18277 756 1 . 1 1 131 131 LEU H H 130 9.092 9.092 8.587 0.505 18277 757 1 . 1 1 132 132 THR N N 131 113.629 113.629 109.274 4.355 18277 758 1 . 1 1 132 132 THR HA H 131 4.007 4.007 4.222 -0.215 18277 759 1 . 1 1 132 132 THR C C 131 177.255 177.255 176.340 0.915 18277 760 1 . 1 1 132 132 THR CA C 131 66.505 66.505 65.049 1.456 18277 761 1 . 1 1 132 132 THR CB C 131 68.052 68.052 68.710 -0.658 18277 762 1 . 1 1 132 132 THR H H 131 8.129 8.129 7.954 0.175 18277 763 1 . 1 1 133 133 ARG N N 132 124.720 124.720 121.898 2.822 18277 764 1 . 1 1 133 133 ARG HA H 132 4.116 4.116 4.206 -0.090 18277 765 1 . 1 1 133 133 ARG C C 132 178.921 178.921 177.431 1.490 18277 766 1 . 1 1 133 133 ARG CA C 132 60.037 60.037 58.269 1.768 18277 767 1 . 1 1 133 133 ARG CB C 132 30.274 30.274 30.035 0.239 18277 768 1 . 1 1 133 133 ARG H H 132 8.187 8.187 8.083 0.104 18277 769 1 . 1 1 134 134 TRP N N 133 120.307 120.307 119.881 0.426 18277 770 1 . 1 1 134 134 TRP HA H 133 4.227 4.227 4.429 -0.202 18277 771 1 . 1 1 134 134 TRP C C 133 177.823 177.823 177.417 0.406 18277 772 1 . 1 1 134 134 TRP CA C 133 62.470 62.470 60.296 2.174 18277 773 1 . 1 1 134 134 TRP CB C 133 28.755 28.755 29.918 -1.163 18277 774 1 . 1 1 134 134 TRP H H 133 9.167 9.167 8.327 0.840 18277 775 1 . 1 1 135 135 ILE N N 134 117.595 117.595 120.287 -2.692 18277 776 1 . 1 1 135 135 ILE HA H 134 3.583 3.583 3.306 0.277 18277 777 1 . 1 1 135 135 ILE C C 134 176.333 176.333 177.408 -1.075 18277 778 1 . 1 1 135 135 ILE CA C 134 60.708 60.708 63.893 -3.185 18277 779 1 . 1 1 135 135 ILE CB C 134 37.133 37.133 38.079 -0.947 18277 780 1 . 1 1 135 135 ILE H H 134 9.000 9.000 7.804 1.196 18277 781 1 . 1 1 136 136 SER N N 135 116.548 116.548 113.627 2.921 18277 782 1 . 1 1 136 136 SER HA H 135 3.931 3.931 3.982 -0.051 18277 783 1 . 1 1 136 136 SER C C 135 174.339 174.339 175.677 -1.338 18277 784 1 . 1 1 136 136 SER CA C 135 62.535 62.535 60.412 2.123 18277 785 1 . 1 1 136 136 SER CB C 135 62.820 62.820 62.722 0.098 18277 786 1 . 1 1 136 136 SER H H 135 7.592 7.592 7.910 -0.318 18277 787 1 . 1 1 137 137 LEU N N 136 119.693 119.693 120.658 -0.965 18277 788 1 . 1 1 137 137 LEU HA H 136 4.197 4.197 4.227 -0.030 18277 789 1 . 1 1 137 137 LEU C C 136 178.376 178.376 177.481 0.895 18277 790 1 . 1 1 137 137 LEU CA C 136 57.116 57.116 56.961 0.155 18277 791 1 . 1 1 137 137 LEU CB C 136 42.988 42.988 42.510 0.478 18277 792 1 . 1 1 137 137 LEU H H 136 7.247 7.247 7.565 -0.318 18277 793 1 . 1 1 138 138 TYR N N 137 116.295 116.295 116.539 -0.244 18277 794 1 . 1 1 138 138 TYR HA H 137 3.644 3.644 4.048 -0.404 18277 795 1 . 1 1 138 138 TYR C C 137 178.142 178.142 177.448 0.694 18277 796 1 . 1 1 138 138 TYR CA C 137 61.396 61.396 59.334 2.062 18277 797 1 . 1 1 138 138 TYR CB C 137 37.907 37.907 38.223 -0.316 18277 798 1 . 1 1 138 138 TYR H H 137 8.057 8.057 7.839 0.218 18277 799 1 . 1 1 139 139 ILE N N 138 117.755 117.755 121.144 -3.389 18277 800 1 . 1 1 139 139 ILE HA H 138 3.818 3.818 3.208 0.610 18277 801 1 . 1 1 139 139 ILE C C 138 176.943 176.943 176.773 0.170 18277 802 1 . 1 1 139 139 ILE CA C 138 61.684 61.684 61.816 -0.132 18277 803 1 . 1 1 139 139 ILE CB C 138 36.768 36.768 37.127 -0.359 18277 804 1 . 1 1 139 139 ILE H H 138 8.371 8.371 8.070 0.301 18277 805 1 . 1 1 140 140 ARG N N 139 118.103 118.103 118.343 -0.240 18277 806 1 . 1 1 140 140 ARG HA H 139 4.075 4.075 4.218 -0.143 18277 807 1 . 1 1 140 140 ARG C C 139 176.776 176.776 177.336 -0.560 18277 808 1 . 1 1 140 140 ARG CA C 139 57.529 57.529 58.534 -1.005 18277 809 1 . 1 1 140 140 ARG CB C 139 29.841 29.841 29.813 0.028 18277 810 1 . 1 1 140 140 ARG H H 139 6.762 6.762 7.837 -1.075 18277 811 1 . 1 1 141 141 ILE N N 140 117.603 117.603 117.679 -0.076 18277 812 1 . 1 1 141 141 ILE HA H 140 3.771 3.771 3.953 -0.182 18277 813 1 . 1 1 141 141 ILE C C 140 176.448 176.448 176.450 -0.002 18277 814 1 . 1 1 141 141 ILE CA C 140 63.370 63.370 63.237 0.133 18277 815 1 . 1 1 141 141 ILE CB C 140 38.819 38.819 37.872 0.947 18277 816 1 . 1 1 141 141 ILE H H 140 7.056 7.056 7.771 -0.715 18277 817 1 . 1 1 142 142 PHE N N 141 114.969 114.969 117.389 -2.420 18277 818 1 . 1 1 142 142 PHE HA H 141 4.394 4.394 4.576 -0.182 18277 819 1 . 1 1 142 142 PHE C C 141 175.503 175.503 175.179 0.324 18277 820 1 . 1 1 142 142 PHE CA C 141 58.126 58.126 58.624 -0.498 18277 821 1 . 1 1 142 142 PHE CB C 141 40.438 40.438 41.405 -0.967 18277 822 1 . 1 1 142 142 PHE H H 141 7.287 7.287 7.850 -0.563 18277 823 1 . 1 1 143 143 ASP N N 142 116.492 116.492 118.900 -2.408 18277 824 1 . 1 1 143 143 ASP HA H 142 4.745 4.745 4.908 -0.163 18277 825 1 . 1 1 143 143 ASP C C 142 175.131 175.131 175.546 -0.415 18277 826 1 . 1 1 143 143 ASP CA C 142 54.013 54.013 53.568 0.445 18277 827 1 . 1 1 143 143 ASP CB C 142 42.996 42.996 42.493 0.503 18277 828 1 . 1 1 143 143 ASP H H 142 7.697 7.697 8.159 -0.462 18277 829 1 . 1 1 144 144 LEU N N 143 126.435 126.435 124.588 1.847 18277 830 1 . 1 1 144 144 LEU HA H 143 4.186 4.186 4.317 -0.131 18277 831 1 . 1 1 144 144 LEU C C 143 177.297 177.297 176.886 0.411 18277 832 1 . 1 1 144 144 LEU CA C 143 56.940 56.940 55.861 1.079 18277 833 1 . 1 1 144 144 LEU CB C 143 42.609 42.609 41.962 0.647 18277 834 1 . 1 1 144 144 LEU H H 143 8.790 8.790 8.690 0.100 18277 835 1 . 1 1 145 145 ASN N N 144 114.711 114.711 116.245 -1.534 18277 836 1 . 1 1 145 145 ASN HA H 144 4.823 4.823 4.760 0.063 18277 837 1 . 1 1 145 145 ASN C C 144 174.879 174.879 174.555 0.324 18277 838 1 . 1 1 145 145 ASN CA C 144 53.151 53.151 53.699 -0.548 18277 839 1 . 1 1 145 145 ASN CB C 144 39.695 39.695 40.053 -0.358 18277 840 1 . 1 1 145 145 ASN H H 144 8.569 8.569 8.188 0.381 18277 841 1 . 1 1 146 146 PHE N N 145 121.472 121.472 122.179 -0.707 18277 842 1 . 1 1 146 146 PHE HA H 145 4.509 4.509 4.480 0.029 18277 843 1 . 1 1 146 146 PHE C C 145 173.397 173.397 173.777 -0.380 18277 844 1 . 1 1 146 146 PHE CA C 145 57.895 57.895 57.175 0.720 18277 845 1 . 1 1 146 146 PHE CB C 145 38.987 38.987 38.834 0.153 18277 846 1 . 1 1 146 146 PHE H H 145 7.214 7.214 7.745 -0.531 18277 847 1 . 1 1 147 147 VAL N N 146 128.813 128.813 125.126 3.687 18277 848 1 . 1 1 147 147 VAL HA H 146 4.072 4.072 4.335 -0.263 18277 849 1 . 1 1 147 147 VAL CA C 146 58.698 58.698 57.859 0.839 18277 850 1 . 1 1 147 147 VAL CB C 146 33.469 33.469 31.321 2.147 18277 851 1 . 1 1 147 147 VAL H H 146 7.666 7.666 7.962 -0.296 18277 stop_ save_