data_18953 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18953 _Entry.PDB_ID 2M3C 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 18953 _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 GLY C C 2 182.782 182.782 171.995 10.787 18953 2 1 1 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.558 -2.011 18953 3 1 1 . 1 1 3 3 LYS N N 3 120.153 120.153 121.157 -1.004 18953 4 1 1 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.654 0.361 18953 5 1 1 . 1 1 3 3 LYS C C 3 179.140 179.140 173.640 5.500 18953 6 1 1 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.480 1.830 18953 7 1 1 . 1 1 3 3 LYS CB C 3 35.698 35.698 36.677 -0.979 18953 8 1 1 . 1 1 3 3 LYS H H 3 8.398 8.398 8.025 0.373 18953 9 1 1 . 1 1 4 4 ILE N N 4 129.769 129.769 124.570 5.199 18953 10 1 1 . 1 1 4 4 ILE HA H 4 4.606 4.606 5.003 -0.397 18953 11 1 1 . 1 1 4 4 ILE C C 4 180.618 180.618 173.054 7.564 18953 12 1 1 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.958 -0.558 18953 13 1 1 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.595 -0.576 18953 14 1 1 . 1 1 4 4 ILE H H 4 8.871 8.871 8.394 0.477 18953 15 1 1 . 1 1 5 5 ILE N N 5 125.103 125.103 127.701 -2.598 18953 16 1 1 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.912 -0.404 18953 17 1 1 . 1 1 5 5 ILE C C 5 177.516 177.516 174.654 2.862 18953 18 1 1 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.406 1.423 18953 19 1 1 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.533 -0.116 18953 20 1 1 . 1 1 5 5 ILE H H 5 8.788 8.788 8.922 -0.134 18953 21 1 1 . 1 1 6 6 PHE N N 6 125.558 125.558 125.447 0.111 18953 22 1 1 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.658 -0.035 18953 23 1 1 . 1 1 6 6 PHE C C 6 176.512 176.512 174.536 1.976 18953 24 1 1 . 1 1 6 6 PHE CA C 6 57.219 57.219 56.817 0.402 18953 25 1 1 . 1 1 6 6 PHE CB C 6 41.483 41.483 40.801 0.682 18953 26 1 1 . 1 1 6 6 PHE H H 6 8.540 8.540 9.118 -0.578 18953 27 1 1 . 1 1 7 7 TYR N N 7 120.647 120.647 120.546 0.101 18953 28 1 1 . 1 1 7 7 TYR HA H 7 5.171 5.171 4.986 0.185 18953 29 1 1 . 1 1 7 7 TYR C C 7 173.898 173.898 175.704 -1.806 18953 30 1 1 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.027 0.419 18953 31 1 1 . 1 1 7 7 TYR CB C 7 39.310 39.310 41.607 -2.297 18953 32 1 1 . 1 1 7 7 TYR H H 7 8.889 8.889 9.265 -0.376 18953 33 1 1 . 1 1 8 8 GLU N N 8 122.007 122.007 123.323 -1.316 18953 34 1 1 . 1 1 8 8 GLU HA H 8 4.181 4.181 3.991 0.190 18953 35 1 1 . 1 1 8 8 GLU C C 8 174.881 174.881 176.862 -1.981 18953 36 1 1 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.186 1.880 18953 37 1 1 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.595 1.457 18953 38 1 1 . 1 1 8 8 GLU H H 8 8.756 8.756 8.493 0.263 18953 39 1 1 . 1 1 9 9 ASP N N 9 114.203 114.203 118.153 -3.950 18953 40 1 1 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.607 0.615 18953 41 1 1 . 1 1 9 9 ASP CA C 9 52.366 52.366 54.013 -1.647 18953 42 1 1 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.275 1.161 18953 43 1 1 . 1 1 9 9 ASP H H 9 7.977 7.977 7.995 -0.018 18953 44 1 1 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.692 -1.573 18953 45 1 1 . 1 1 11 11 ASN CA C 11 56.660 56.660 53.139 3.521 18953 46 1 1 . 1 1 11 11 ASN CB C 11 35.050 35.050 36.965 -1.915 18953 47 1 1 . 1 1 13 13 GLY C C 13 178.281 178.281 174.027 4.254 18953 48 1 1 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.390 0.056 18953 49 1 1 . 1 1 14 14 GLY N N 14 105.348 105.348 107.424 -2.076 18953 50 1 1 . 1 1 14 14 GLY C C 14 176.463 176.463 174.145 2.318 18953 51 1 1 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.031 0.080 18953 52 1 1 . 1 1 14 14 GLY H H 14 8.261 8.261 8.211 0.050 18953 53 1 1 . 1 1 15 15 ARG N N 15 119.637 119.637 124.909 -5.272 18953 54 1 1 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.191 0.020 18953 55 1 1 . 1 1 15 15 ARG C C 15 176.574 176.574 176.034 0.540 18953 56 1 1 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.144 1.188 18953 57 1 1 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.397 1.015 18953 58 1 1 . 1 1 15 15 ARG H H 15 8.579 8.579 8.211 0.368 18953 59 1 1 . 1 1 16 16 TYR N N 16 114.846 114.846 122.032 -7.186 18953 60 1 1 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.152 0.706 18953 61 1 1 . 1 1 16 16 TYR C C 16 176.510 176.510 174.813 1.697 18953 62 1 1 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.980 -0.367 18953 63 1 1 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.752 1.666 18953 64 1 1 . 1 1 16 16 TYR H H 16 7.617 7.617 7.589 0.028 18953 65 1 1 . 1 1 17 17 HIS N N 17 118.443 118.443 119.110 -0.667 18953 66 1 1 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.889 -0.079 18953 67 1 1 . 1 1 17 17 HIS C C 17 177.970 177.970 173.923 4.047 18953 68 1 1 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.712 -0.150 18953 69 1 1 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.109 0.495 18953 70 1 1 . 1 1 17 17 HIS H H 17 8.785 8.785 8.684 0.101 18953 71 1 1 . 1 1 18 18 GLU N N 18 126.223 126.223 125.120 1.103 18953 72 1 1 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.642 0.196 18953 73 1 1 . 1 1 18 18 GLU C C 18 176.504 176.504 175.440 1.064 18953 74 1 1 . 1 1 18 18 GLU CA C 18 55.099 55.099 56.198 -1.099 18953 75 1 1 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.775 1.347 18953 76 1 1 . 1 1 18 18 GLU H H 18 8.529 8.529 8.777 -0.248 18953 77 1 1 . 1 1 19 19 CYS N N 19 121.383 121.383 122.611 -1.228 18953 78 1 1 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.818 -0.161 18953 79 1 1 . 1 1 19 19 CYS C C 19 178.018 178.018 174.341 3.677 18953 80 1 1 . 1 1 19 19 CYS CA C 19 58.777 58.777 57.392 1.385 18953 81 1 1 . 1 1 19 19 CYS CB C 19 29.812 29.812 30.737 -0.925 18953 82 1 1 . 1 1 19 19 CYS H H 19 9.163 9.163 9.210 -0.047 18953 83 1 1 . 1 1 20 20 MET N N 20 126.877 126.877 118.432 8.445 18953 84 1 1 . 1 1 20 20 MET HA H 20 5.295 5.295 4.730 0.565 18953 85 1 1 . 1 1 20 20 MET C C 20 176.776 176.776 174.783 1.993 18953 86 1 1 . 1 1 20 20 MET CA C 20 55.260 55.260 55.379 -0.119 18953 87 1 1 . 1 1 20 20 MET CB C 20 33.370 33.370 34.406 -1.036 18953 88 1 1 . 1 1 20 20 MET H H 20 8.995 8.995 8.591 0.404 18953 89 1 1 . 1 1 21 21 SER N N 21 179.042 179.042 114.585 64.457 18953 90 1 1 . 1 1 21 21 SER HA H 21 4.658 4.658 4.686 -0.028 18953 91 1 1 . 1 1 21 21 SER C C 21 179.042 179.042 173.688 5.354 18953 92 1 1 . 1 1 21 21 SER CA C 21 57.586 57.586 57.330 0.256 18953 93 1 1 . 1 1 21 21 SER CB C 21 65.782 65.782 64.953 0.829 18953 94 1 1 . 1 1 21 21 SER H H 21 7.990 7.990 7.725 0.265 18953 95 1 1 . 1 1 22 22 ASP N N 22 117.203 117.203 122.169 -4.966 18953 96 1 1 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.385 0.566 18953 97 1 1 . 1 1 22 22 ASP C C 22 173.564 173.564 175.258 -1.694 18953 98 1 1 . 1 1 22 22 ASP CA C 22 55.471 55.471 55.024 0.447 18953 99 1 1 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.756 1.063 18953 100 1 1 . 1 1 22 22 ASP H H 22 8.317 8.317 8.446 -0.129 18953 101 1 1 . 1 1 23 23 CYS N N 23 121.308 121.308 119.708 1.600 18953 102 1 1 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.666 0.125 18953 103 1 1 . 1 1 23 23 CYS C C 23 177.265 177.265 173.640 3.625 18953 104 1 1 . 1 1 23 23 CYS CA C 23 59.963 59.963 58.625 1.338 18953 105 1 1 . 1 1 23 23 CYS CB C 23 29.412 29.412 29.749 -0.337 18953 106 1 1 . 1 1 23 23 CYS H H 23 9.410 9.410 8.703 0.707 18953 107 1 1 . 1 1 24 24 ALA N N 24 131.693 131.693 130.534 1.159 18953 108 1 1 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.981 -0.459 18953 109 1 1 . 1 1 24 24 ALA C C 24 175.455 175.455 175.589 -0.134 18953 110 1 1 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.049 2.565 18953 111 1 1 . 1 1 24 24 ALA CB C 24 19.175 19.175 17.861 1.314 18953 112 1 1 . 1 1 24 24 ALA H H 24 9.210 9.210 8.595 0.615 18953 113 1 1 . 1 1 25 25 ASP N N 25 113.873 113.873 116.077 -2.204 18953 114 1 1 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.506 0.389 18953 115 1 1 . 1 1 25 25 ASP C C 25 174.970 174.970 174.453 0.517 18953 116 1 1 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.678 0.242 18953 117 1 1 . 1 1 25 25 ASP CB C 25 40.564 40.564 39.649 0.915 18953 118 1 1 . 1 1 25 25 ASP H H 25 7.524 7.524 7.434 0.089 18953 119 1 1 . 1 1 26 26 LEU N N 26 127.166 127.166 119.673 7.493 18953 120 1 1 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.183 -0.184 18953 121 1 1 . 1 1 26 26 LEU C C 26 173.727 173.727 177.383 -3.656 18953 122 1 1 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.540 1.611 18953 123 1 1 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.561 -0.202 18953 124 1 1 . 1 1 26 26 LEU H H 26 8.495 8.495 8.664 -0.169 18953 125 1 1 . 1 1 27 27 HIS N N 27 118.732 118.732 120.127 -1.395 18953 126 1 1 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.282 0.255 18953 127 1 1 . 1 1 27 27 HIS C C 27 175.667 175.667 175.906 -0.239 18953 128 1 1 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.258 -1.465 18953 129 1 1 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.302 -1.264 18953 130 1 1 . 1 1 27 27 HIS H H 27 8.446 8.446 7.816 0.630 18953 131 1 1 . 1 1 28 28 SER N N 28 112.598 112.598 111.915 0.683 18953 132 1 1 . 1 1 28 28 SER HA H 28 3.792 3.792 4.242 -0.450 18953 133 1 1 . 1 1 28 28 SER C C 28 177.551 177.551 174.849 2.702 18953 134 1 1 . 1 1 28 28 SER CA C 28 60.406 60.406 59.973 0.433 18953 135 1 1 . 1 1 28 28 SER CB C 28 62.814 62.814 62.639 0.175 18953 136 1 1 . 1 1 28 28 SER H H 28 7.237 7.237 8.138 -0.901 18953 137 1 1 . 1 1 29 29 TYR N N 29 118.301 118.301 119.115 -0.814 18953 138 1 1 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.282 0.020 18953 139 1 1 . 1 1 29 29 TYR C C 29 176.283 176.283 175.328 0.955 18953 140 1 1 . 1 1 29 29 TYR CA C 29 58.668 58.668 59.394 -0.726 18953 141 1 1 . 1 1 29 29 TYR CB C 29 39.471 39.471 39.895 -0.424 18953 142 1 1 . 1 1 29 29 TYR H H 29 7.224 7.224 7.388 -0.164 18953 143 1 1 . 1 1 30 30 PHE N N 30 112.713 112.713 112.591 0.122 18953 144 1 1 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.733 -0.051 18953 145 1 1 . 1 1 30 30 PHE C C 30 177.785 177.785 173.727 4.058 18953 146 1 1 . 1 1 30 30 PHE CA C 30 55.924 55.924 55.974 -0.050 18953 147 1 1 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.114 -0.370 18953 148 1 1 . 1 1 30 30 PHE H H 30 7.173 7.173 7.691 -0.518 18953 149 1 1 . 1 1 31 31 ASN N N 31 115.959 115.959 119.075 -3.116 18953 150 1 1 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.502 0.208 18953 151 1 1 . 1 1 31 31 ASN C C 31 176.537 176.537 174.743 1.794 18953 152 1 1 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.212 0.339 18953 153 1 1 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.173 0.883 18953 154 1 1 . 1 1 31 31 ASN H H 31 8.918 8.918 8.626 0.292 18953 155 1 1 . 1 1 32 32 ARG N N 32 117.693 117.693 116.259 1.434 18953 156 1 1 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.728 -0.101 18953 157 1 1 . 1 1 32 32 ARG C C 32 178.177 178.177 173.858 4.319 18953 158 1 1 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.532 -0.376 18953 159 1 1 . 1 1 32 32 ARG CB C 32 33.091 33.091 34.393 -1.302 18953 160 1 1 . 1 1 32 32 ARG H H 32 7.893 7.893 7.941 -0.048 18953 161 1 1 . 1 1 33 33 CYS N N 33 119.494 119.494 121.592 -2.098 18953 162 1 1 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.622 0.331 18953 163 1 1 . 1 1 33 33 CYS C C 33 176.223 176.223 174.409 1.814 18953 164 1 1 . 1 1 33 33 CYS CA C 33 58.307 58.307 57.742 0.565 18953 165 1 1 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.150 -0.399 18953 166 1 1 . 1 1 33 33 CYS H H 33 8.161 8.161 8.925 -0.764 18953 167 1 1 . 1 1 34 34 HIS N N 34 126.786 126.786 125.659 1.127 18953 168 1 1 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.468 0.554 18953 169 1 1 . 1 1 34 34 HIS C C 34 176.224 176.224 174.693 1.531 18953 170 1 1 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.197 0.501 18953 171 1 1 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.319 1.990 18953 172 1 1 . 1 1 34 34 HIS H H 34 8.325 8.325 8.218 0.107 18953 173 1 1 . 1 1 35 35 SER N N 35 113.132 113.132 114.098 -0.966 18953 174 1 1 . 1 1 35 35 SER HA H 35 5.264 5.264 5.157 0.107 18953 175 1 1 . 1 1 35 35 SER C C 35 179.093 179.093 172.415 6.678 18953 176 1 1 . 1 1 35 35 SER CA C 35 59.951 59.951 56.831 3.120 18953 177 1 1 . 1 1 35 35 SER CB C 35 65.754 65.754 64.532 1.222 18953 178 1 1 . 1 1 35 35 SER H H 35 8.489 8.489 7.972 0.517 18953 179 1 1 . 1 1 36 36 ILE N N 36 119.607 119.607 123.782 -4.175 18953 180 1 1 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.591 0.778 18953 181 1 1 . 1 1 36 36 ILE C C 36 176.313 176.313 173.828 2.485 18953 182 1 1 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.090 0.404 18953 183 1 1 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.515 3.255 18953 184 1 1 . 1 1 36 36 ILE H H 36 8.579 8.579 8.810 -0.231 18953 185 1 1 . 1 1 37 37 ARG N N 37 126.328 126.328 124.666 1.662 18953 186 1 1 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.863 0.096 18953 187 1 1 . 1 1 37 37 ARG C C 37 176.785 176.785 173.986 2.799 18953 188 1 1 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.247 0.867 18953 189 1 1 . 1 1 37 37 ARG CB C 37 34.334 34.334 34.169 0.165 18953 190 1 1 . 1 1 37 37 ARG H H 37 9.342 9.342 8.902 0.440 18953 191 1 1 . 1 1 38 38 VAL N N 38 125.466 125.466 127.299 -1.833 18953 192 1 1 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.596 -0.272 18953 193 1 1 . 1 1 38 38 VAL C C 38 175.196 175.196 175.582 -0.386 18953 194 1 1 . 1 1 38 38 VAL CA C 38 62.436 62.436 61.111 1.325 18953 195 1 1 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.141 -0.467 18953 196 1 1 . 1 1 38 38 VAL H H 38 9.122 9.122 9.114 0.008 18953 197 1 1 . 1 1 39 39 GLU N N 39 128.582 128.582 128.861 -0.279 18953 198 1 1 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.232 -0.148 18953 199 1 1 . 1 1 39 39 GLU C C 39 175.200 175.200 175.937 -0.737 18953 200 1 1 . 1 1 39 39 GLU CA C 39 58.498 58.498 57.790 0.708 18953 201 1 1 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.974 0.856 18953 202 1 1 . 1 1 39 39 GLU H H 39 8.258 8.258 8.689 -0.431 18953 203 1 1 . 1 1 40 40 SER N N 40 108.412 108.412 111.832 -3.420 18953 204 1 1 . 1 1 40 40 SER HA H 40 4.343 4.343 4.562 -0.219 18953 205 1 1 . 1 1 40 40 SER C C 40 178.000 178.000 172.874 5.126 18953 206 1 1 . 1 1 40 40 SER CA C 40 57.623 57.623 57.790 -0.167 18953 207 1 1 . 1 1 40 40 SER CB C 40 64.539 64.539 64.347 0.192 18953 208 1 1 . 1 1 40 40 SER H H 40 7.753 7.753 7.320 0.433 18953 209 1 1 . 1 1 41 41 GLY N N 41 109.451 109.451 111.427 -1.976 18953 210 1 1 . 1 1 41 41 GLY C C 41 179.855 179.855 172.643 7.212 18953 211 1 1 . 1 1 41 41 GLY CA C 41 44.884 44.884 45.008 -0.124 18953 212 1 1 . 1 1 41 41 GLY H H 41 8.714 8.714 8.630 0.084 18953 213 1 1 . 1 1 42 42 CYS N N 42 112.295 112.295 118.642 -6.347 18953 214 1 1 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.075 -0.141 18953 215 1 1 . 1 1 42 42 CYS C C 42 178.663 178.663 173.165 5.498 18953 216 1 1 . 1 1 42 42 CYS CA C 42 56.877 56.877 58.652 -1.775 18953 217 1 1 . 1 1 42 42 CYS CB C 42 31.679 31.679 31.511 0.168 18953 218 1 1 . 1 1 42 42 CYS H H 42 7.794 7.794 8.574 -0.780 18953 219 1 1 . 1 1 43 43 PHE N N 43 118.841 118.841 121.897 -3.056 18953 220 1 1 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.786 0.338 18953 221 1 1 . 1 1 43 43 PHE C C 43 178.045 178.045 173.118 4.927 18953 222 1 1 . 1 1 43 43 PHE CA C 43 56.490 56.490 56.856 -0.366 18953 223 1 1 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.815 1.142 18953 224 1 1 . 1 1 43 43 PHE H H 43 8.509 8.509 8.942 -0.433 18953 225 1 1 . 1 1 44 44 MET N N 44 119.494 119.494 126.605 -7.111 18953 226 1 1 . 1 1 44 44 MET HA H 44 5.442 5.442 4.945 0.497 18953 227 1 1 . 1 1 44 44 MET C C 44 174.336 174.336 174.030 0.306 18953 228 1 1 . 1 1 44 44 MET CA C 44 52.992 52.992 53.130 -0.139 18953 229 1 1 . 1 1 44 44 MET CB C 44 33.835 33.835 34.674 -0.839 18953 230 1 1 . 1 1 44 44 MET H H 44 9.110 9.110 8.152 0.958 18953 231 1 1 . 1 1 45 45 VAL N N 45 117.666 117.666 121.726 -4.060 18953 232 1 1 . 1 1 45 45 VAL HA H 45 5.387 5.387 5.002 0.385 18953 233 1 1 . 1 1 45 45 VAL C C 45 177.844 177.844 173.789 4.055 18953 234 1 1 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.840 -0.207 18953 235 1 1 . 1 1 45 45 VAL CB C 45 34.280 34.280 34.629 -0.349 18953 236 1 1 . 1 1 45 45 VAL H H 45 9.345 9.345 8.766 0.579 18953 237 1 1 . 1 1 46 46 TYR N N 46 117.876 117.876 123.011 -5.135 18953 238 1 1 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.245 0.760 18953 239 1 1 . 1 1 46 46 TYR C C 46 173.152 173.152 175.579 -2.427 18953 240 1 1 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.386 -0.703 18953 241 1 1 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.443 -1.418 18953 242 1 1 . 1 1 46 46 TYR H H 46 8.145 8.145 9.266 -1.121 18953 243 1 1 . 1 1 47 47 ASP N N 47 119.783 119.783 122.249 -2.466 18953 244 1 1 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.714 0.171 18953 245 1 1 . 1 1 47 47 ASP C C 47 176.040 176.040 175.678 0.362 18953 246 1 1 . 1 1 47 47 ASP CA C 47 53.826 53.826 55.307 -1.481 18953 247 1 1 . 1 1 47 47 ASP CB C 47 41.067 41.067 42.091 -1.024 18953 248 1 1 . 1 1 47 47 ASP H H 47 8.690 8.690 8.637 0.053 18953 249 1 1 . 1 1 48 48 ARG N N 48 116.008 116.008 116.616 -0.608 18953 250 1 1 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.709 0.029 18953 251 1 1 . 1 1 48 48 ARG C C 48 175.495 175.495 175.180 0.315 18953 252 1 1 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.175 0.170 18953 253 1 1 . 1 1 48 48 ARG CB C 48 34.662 34.662 33.943 0.719 18953 254 1 1 . 1 1 48 48 ARG H H 48 7.627 7.627 8.121 -0.494 18953 255 1 1 . 1 1 49 49 THR N N 49 110.526 110.526 114.795 -4.269 18953 256 1 1 . 1 1 49 49 THR HA H 49 3.790 3.790 4.225 -0.435 18953 257 1 1 . 1 1 49 49 THR C C 49 176.951 176.951 174.461 2.490 18953 258 1 1 . 1 1 49 49 THR CA C 49 62.112 62.112 63.124 -1.012 18953 259 1 1 . 1 1 49 49 THR CB C 49 70.189 70.189 69.082 1.107 18953 260 1 1 . 1 1 49 49 THR H H 49 8.173 8.173 8.291 -0.118 18953 261 1 1 . 1 1 50 50 ASN N N 50 112.515 112.515 117.338 -4.823 18953 262 1 1 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.580 -0.331 18953 263 1 1 . 1 1 50 50 ASN C C 50 178.172 178.172 173.443 4.729 18953 264 1 1 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.244 1.133 18953 265 1 1 . 1 1 50 50 ASN CB C 50 36.907 36.907 36.840 0.067 18953 266 1 1 . 1 1 50 50 ASN H H 50 9.654 9.654 8.456 1.198 18953 267 1 1 . 1 1 51 51 PHE N N 51 110.557 110.557 109.915 0.642 18953 268 1 1 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.725 -0.075 18953 269 1 1 . 1 1 51 51 PHE C C 51 176.292 176.292 174.262 2.030 18953 270 1 1 . 1 1 51 51 PHE CA C 51 55.668 55.668 58.171 -2.503 18953 271 1 1 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.202 0.730 18953 272 1 1 . 1 1 51 51 PHE H H 51 7.568 7.568 7.532 0.036 18953 273 1 1 . 1 1 52 52 MET N N 52 117.547 117.547 116.558 0.989 18953 274 1 1 . 1 1 52 52 MET HA H 52 4.859 4.859 5.011 -0.152 18953 275 1 1 . 1 1 52 52 MET C C 52 177.399 177.399 175.301 2.098 18953 276 1 1 . 1 1 52 52 MET CA C 52 53.946 53.946 55.246 -1.300 18953 277 1 1 . 1 1 52 52 MET CB C 52 35.335 35.335 37.373 -2.038 18953 278 1 1 . 1 1 52 52 MET H H 52 6.355 6.355 7.590 -1.235 18953 279 1 1 . 1 1 53 53 GLY N N 53 103.445 103.445 107.254 -3.809 18953 280 1 1 . 1 1 53 53 GLY C C 53 175.327 175.327 173.591 1.736 18953 281 1 1 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.702 -0.119 18953 282 1 1 . 1 1 53 53 GLY H H 53 8.256 8.256 8.599 -0.343 18953 283 1 1 . 1 1 54 54 ARG N N 54 124.195 124.195 122.305 1.890 18953 284 1 1 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.002 0.160 18953 285 1 1 . 1 1 54 54 ARG C C 54 177.235 177.235 175.871 1.364 18953 286 1 1 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.193 0.007 18953 287 1 1 . 1 1 54 54 ARG CB C 54 31.215 31.215 29.939 1.276 18953 288 1 1 . 1 1 54 54 ARG H H 54 9.034 9.034 8.609 0.425 18953 289 1 1 . 1 1 55 55 GLN N N 55 118.867 118.867 122.876 -4.009 18953 290 1 1 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.633 0.386 18953 291 1 1 . 1 1 55 55 GLN C C 55 176.166 176.166 174.853 1.313 18953 292 1 1 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.554 -1.440 18953 293 1 1 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.220 1.252 18953 294 1 1 . 1 1 55 55 GLN H H 55 7.657 7.657 8.306 -0.649 18953 295 1 1 . 1 1 56 56 TYR N N 56 117.323 117.323 122.857 -5.534 18953 296 1 1 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.721 -0.271 18953 297 1 1 . 1 1 56 56 TYR C C 56 177.276 177.276 173.999 3.277 18953 298 1 1 . 1 1 56 56 TYR CA C 56 57.213 57.213 57.228 -0.015 18953 299 1 1 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.326 -0.766 18953 300 1 1 . 1 1 56 56 TYR H H 56 8.704 8.704 8.889 -0.185 18953 301 1 1 . 1 1 57 57 PHE N N 57 125.557 125.557 124.623 0.934 18953 302 1 1 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.816 0.401 18953 303 1 1 . 1 1 57 57 PHE C C 57 176.412 176.412 174.132 2.280 18953 304 1 1 . 1 1 57 57 PHE CA C 57 58.371 58.371 56.986 1.385 18953 305 1 1 . 1 1 57 57 PHE CB C 57 40.989 40.989 40.047 0.942 18953 306 1 1 . 1 1 57 57 PHE H H 57 8.600 8.600 8.782 -0.182 18953 307 1 1 . 1 1 58 58 LEU N N 58 129.141 129.141 128.624 0.517 18953 308 1 1 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.582 -0.227 18953 309 1 1 . 1 1 58 58 LEU C C 58 177.356 177.356 175.278 2.078 18953 310 1 1 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.203 0.647 18953 311 1 1 . 1 1 58 58 LEU CB C 58 44.886 44.886 43.692 1.194 18953 312 1 1 . 1 1 58 58 LEU H H 58 8.969 8.969 8.464 0.505 18953 313 1 1 . 1 1 59 59 ARG N N 59 118.569 118.569 120.937 -2.368 18953 314 1 1 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.686 -0.123 18953 315 1 1 . 1 1 59 59 ARG C C 59 175.341 175.341 175.782 -0.441 18953 316 1 1 . 1 1 59 59 ARG CA C 59 53.734 53.734 53.578 0.156 18953 317 1 1 . 1 1 59 59 ARG CB C 59 32.396 32.396 33.121 -0.725 18953 318 1 1 . 1 1 59 59 ARG H H 59 7.107 7.107 8.254 -1.147 18953 319 1 1 . 1 1 60 60 ARG N N 60 121.635 121.635 123.068 -1.433 18953 320 1 1 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.920 0.045 18953 321 1 1 . 1 1 60 60 ARG C C 60 175.525 175.525 175.512 0.013 18953 322 1 1 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.656 0.298 18953 323 1 1 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.950 0.940 18953 324 1 1 . 1 1 60 60 ARG H H 60 8.258 8.258 8.140 0.118 18953 325 1 1 . 1 1 61 61 GLY N N 61 112.955 112.955 114.451 -1.496 18953 326 1 1 . 1 1 61 61 GLY C C 61 180.518 180.518 171.369 9.149 18953 327 1 1 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.728 -0.050 18953 328 1 1 . 1 1 61 61 GLY H H 61 8.706 8.706 7.996 0.710 18953 329 1 1 . 1 1 62 62 GLU N N 62 117.563 117.563 119.379 -1.816 18953 330 1 1 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.596 -0.047 18953 331 1 1 . 1 1 62 62 GLU C C 62 176.249 176.249 175.290 0.959 18953 332 1 1 . 1 1 62 62 GLU CA C 62 55.813 55.813 54.673 1.140 18953 333 1 1 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.354 1.490 18953 334 1 1 . 1 1 62 62 GLU H H 62 8.161 8.161 8.301 -0.140 18953 335 1 1 . 1 1 63 63 TYR N N 63 119.057 119.057 125.747 -6.690 18953 336 1 1 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.937 0.239 18953 337 1 1 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.309 -1.036 18953 338 1 1 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.435 -1.387 18953 339 1 1 . 1 1 63 63 TYR H H 63 8.827 8.827 9.004 -0.177 18953 340 1 1 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.269 -0.585 18953 341 1 1 . 1 1 64 64 PRO CA C 64 64.970 64.970 64.007 0.963 18953 342 1 1 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.501 -0.366 18953 343 1 1 . 1 1 65 65 ASP N N 65 118.810 118.810 115.305 3.505 18953 344 1 1 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.191 -0.144 18953 345 1 1 . 1 1 65 65 ASP C C 65 174.175 174.175 174.996 -0.821 18953 346 1 1 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.868 -0.294 18953 347 1 1 . 1 1 65 65 ASP CB C 65 39.805 39.805 44.110 -4.305 18953 348 1 1 . 1 1 65 65 ASP H H 65 8.600 8.600 7.720 0.880 18953 349 1 1 . 1 1 66 66 TYR N N 66 119.662 119.662 118.320 1.342 18953 350 1 1 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.878 -0.477 18953 351 1 1 . 1 1 66 66 TYR C C 66 175.431 175.431 174.133 1.298 18953 352 1 1 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.368 3.605 18953 353 1 1 . 1 1 66 66 TYR CB C 66 38.024 38.024 39.520 -1.496 18953 354 1 1 . 1 1 66 66 TYR H H 66 6.530 6.530 7.886 -1.356 18953 355 1 1 . 1 1 67 67 MET N N 67 121.502 121.502 118.118 3.384 18953 356 1 1 . 1 1 67 67 MET HA H 67 3.626 3.626 4.240 -0.614 18953 357 1 1 . 1 1 67 67 MET C C 67 172.742 172.742 177.130 -4.388 18953 358 1 1 . 1 1 67 67 MET CA C 67 59.998 59.998 57.478 2.520 18953 359 1 1 . 1 1 67 67 MET CB C 67 32.064 32.064 33.687 -1.623 18953 360 1 1 . 1 1 67 67 MET H H 67 8.299 8.299 7.851 0.448 18953 361 1 1 . 1 1 68 68 ARG N N 68 116.824 116.824 117.032 -0.208 18953 362 1 1 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.346 -0.191 18953 363 1 1 . 1 1 68 68 ARG C C 68 171.982 171.982 176.922 -4.940 18953 364 1 1 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.195 0.405 18953 365 1 1 . 1 1 68 68 ARG CB C 68 31.056 31.056 29.925 1.131 18953 366 1 1 . 1 1 68 68 ARG H H 68 6.919 6.919 8.277 -1.358 18953 367 1 1 . 1 1 69 69 THR N N 69 111.292 111.292 114.680 -3.388 18953 368 1 1 . 1 1 69 69 THR HA H 69 4.101 4.101 4.327 -0.226 18953 369 1 1 . 1 1 69 69 THR C C 69 174.584 174.584 175.219 -0.635 18953 370 1 1 . 1 1 69 69 THR CA C 69 65.512 65.512 64.190 1.322 18953 371 1 1 . 1 1 69 69 THR CB C 69 68.821 68.821 69.422 -0.601 18953 372 1 1 . 1 1 69 69 THR H H 69 8.020 8.020 7.842 0.178 18953 373 1 1 . 1 1 70 70 MET N N 70 117.481 117.481 117.215 0.266 18953 374 1 1 . 1 1 70 70 MET HA H 70 4.496 4.496 4.658 -0.162 18953 375 1 1 . 1 1 70 70 MET C C 70 175.015 175.015 176.438 -1.423 18953 376 1 1 . 1 1 70 70 MET CA C 70 56.029 56.029 55.128 0.901 18953 377 1 1 . 1 1 70 70 MET CB C 70 33.013 33.013 33.589 -0.576 18953 378 1 1 . 1 1 70 70 MET H H 70 8.315 8.315 7.745 0.570 18953 379 1 1 . 1 1 71 71 GLY N N 71 108.537 108.537 108.646 -0.109 18953 380 1 1 . 1 1 71 71 GLY C C 71 176.534 176.534 174.197 2.337 18953 381 1 1 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.459 1.750 18953 382 1 1 . 1 1 71 71 GLY H H 71 7.352 7.352 7.666 -0.314 18953 383 1 1 . 1 1 72 72 MET N N 72 118.363 118.363 118.883 -0.520 18953 384 1 1 . 1 1 72 72 MET HA H 72 4.375 4.375 4.690 -0.315 18953 385 1 1 . 1 1 72 72 MET C C 72 176.034 176.034 174.517 1.517 18953 386 1 1 . 1 1 72 72 MET CA C 72 55.884 55.884 54.286 1.598 18953 387 1 1 . 1 1 72 72 MET CB C 72 35.756 35.756 35.289 0.467 18953 388 1 1 . 1 1 72 72 MET H H 72 7.888 7.888 7.530 0.358 18953 389 1 1 . 1 1 73 73 ASN N N 73 119.052 119.052 119.322 -0.270 18953 390 1 1 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.916 -0.195 18953 391 1 1 . 1 1 73 73 ASN C C 73 177.307 177.307 173.632 3.675 18953 392 1 1 . 1 1 73 73 ASN CA C 73 53.866 53.866 53.471 0.395 18953 393 1 1 . 1 1 73 73 ASN CB C 73 39.872 39.872 38.964 0.908 18953 394 1 1 . 1 1 73 73 ASN H H 73 8.956 8.956 8.870 0.086 18953 395 1 1 . 1 1 74 74 ASP N N 74 118.536 118.536 116.843 1.693 18953 396 1 1 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.837 0.039 18953 397 1 1 . 1 1 74 74 ASP C C 74 177.595 177.595 174.272 3.323 18953 398 1 1 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.814 -1.268 18953 399 1 1 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.962 2.081 18953 400 1 1 . 1 1 74 74 ASP H H 74 7.831 7.831 7.770 0.061 18953 401 1 1 . 1 1 75 75 CYS N N 75 116.378 116.378 116.536 -0.158 18953 402 1 1 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.275 -0.614 18953 403 1 1 . 1 1 75 75 CYS C C 75 177.301 177.301 175.148 2.153 18953 404 1 1 . 1 1 75 75 CYS CA C 75 58.072 58.072 57.001 1.071 18953 405 1 1 . 1 1 75 75 CYS CB C 75 29.613 29.613 31.067 -1.454 18953 406 1 1 . 1 1 75 75 CYS H H 75 8.527 8.527 8.562 -0.035 18953 407 1 1 . 1 1 76 76 VAL N N 76 116.516 116.516 115.630 0.886 18953 408 1 1 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.275 -0.365 18953 409 1 1 . 1 1 76 76 VAL C C 76 175.906 175.906 175.465 0.441 18953 410 1 1 . 1 1 76 76 VAL CA C 76 63.823 63.823 62.003 1.820 18953 411 1 1 . 1 1 76 76 VAL CB C 76 32.705 32.705 33.009 -0.304 18953 412 1 1 . 1 1 76 76 VAL H H 76 7.296 7.296 8.482 -1.186 18953 413 1 1 . 1 1 77 77 ARG N N 77 120.435 120.435 120.297 0.138 18953 414 1 1 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.481 -0.101 18953 415 1 1 . 1 1 77 77 ARG C C 77 175.519 175.519 176.375 -0.856 18953 416 1 1 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.425 -1.017 18953 417 1 1 . 1 1 77 77 ARG CB C 77 34.212 34.212 31.874 2.338 18953 418 1 1 . 1 1 77 77 ARG H H 77 8.923 8.923 8.539 0.384 18953 419 1 1 . 1 1 78 78 SER N N 78 110.315 110.315 113.726 -3.411 18953 420 1 1 . 1 1 78 78 SER HA H 78 4.533 4.533 5.320 -0.787 18953 421 1 1 . 1 1 78 78 SER C C 78 177.603 177.603 172.704 4.899 18953 422 1 1 . 1 1 78 78 SER CA C 78 59.512 59.512 56.937 2.575 18953 423 1 1 . 1 1 78 78 SER CB C 78 65.883 65.883 66.019 -0.136 18953 424 1 1 . 1 1 78 78 SER H H 78 8.100 8.100 8.077 0.023 18953 425 1 1 . 1 1 79 79 CYS N N 79 112.901 112.901 116.432 -3.531 18953 426 1 1 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.379 0.938 18953 427 1 1 . 1 1 79 79 CYS C C 79 179.601 179.601 172.221 7.380 18953 428 1 1 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.841 -1.362 18953 429 1 1 . 1 1 79 79 CYS CB C 79 32.350 32.350 31.261 1.089 18953 430 1 1 . 1 1 79 79 CYS H H 79 9.438 9.438 8.908 0.530 18953 431 1 1 . 1 1 80 80 ARG N N 80 122.877 122.877 119.964 2.913 18953 432 1 1 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.726 0.300 18953 433 1 1 . 1 1 80 80 ARG C C 80 176.888 176.888 173.670 3.218 18953 434 1 1 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.540 0.146 18953 435 1 1 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.472 0.214 18953 436 1 1 . 1 1 80 80 ARG H H 80 10.005 10.005 8.737 1.268 18953 437 1 1 . 1 1 81 81 MET N N 81 125.699 125.699 123.733 1.966 18953 438 1 1 . 1 1 81 81 MET HA H 81 3.494 3.494 4.373 -0.879 18953 439 1 1 . 1 1 81 81 MET C C 81 176.369 176.369 175.190 1.179 18953 440 1 1 . 1 1 81 81 MET CA C 81 55.587 55.587 55.642 -0.054 18953 441 1 1 . 1 1 81 81 MET CB C 81 34.241 34.241 34.506 -0.265 18953 442 1 1 . 1 1 81 81 MET H H 81 9.198 9.198 8.549 0.649 18953 443 1 1 . 1 1 82 82 ILE N N 82 131.119 131.119 126.614 4.505 18953 444 1 1 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.593 -0.559 18953 445 1 1 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.555 0.295 18953 446 1 1 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.745 0.448 18953 447 1 1 . 1 1 82 82 ILE H H 82 7.744 7.744 8.387 -0.643 18953 448 1 1 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.582 -0.381 18953 449 1 1 . 1 1 83 83 PRO C C 83 176.434 176.434 176.668 -0.234 18953 450 1 1 . 1 1 83 83 PRO CA C 83 62.426 62.426 61.778 0.648 18953 451 1 1 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.317 0.077 18953 452 1 1 . 1 1 84 84 LEU N N 84 120.509 120.509 120.834 -0.325 18953 453 1 1 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.301 -0.061 18953 454 1 1 . 1 1 84 84 LEU C C 84 174.899 174.899 175.667 -0.768 18953 455 1 1 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.340 0.187 18953 456 1 1 . 1 1 84 84 LEU CB C 84 41.560 41.560 40.267 1.293 18953 457 1 1 . 1 1 84 84 LEU H H 84 7.873 7.873 8.512 -0.639 18953 458 1 1 . 1 1 85 85 HIS N N 85 125.245 125.245 121.982 3.263 18953 459 1 1 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.634 -0.050 18953 460 1 1 . 1 1 85 85 HIS CA C 85 56.167 56.167 54.561 1.606 18953 461 1 1 . 1 1 85 85 HIS CB C 85 32.644 32.644 28.583 4.061 18953 462 1 1 . 1 1 85 85 HIS H H 85 8.600 8.600 7.914 0.686 18953 463 1 1 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.457 0.304 18953 464 1 1 . 1 1 86 86 HIS C C 86 177.250 177.250 174.811 2.439 18953 465 1 1 . 1 1 86 86 HIS CA C 86 54.709 54.709 54.582 0.127 18953 466 1 1 . 1 1 86 86 HIS CB C 86 29.670 29.670 31.616 -1.946 18953 467 1 1 . 1 1 86 86 HIS H H 86 8.500 8.500 7.870 0.630 18953 468 1 1 . 1 1 87 87 GLY N N 87 107.909 107.909 111.887 -3.978 18953 469 1 1 . 1 1 87 87 GLY C C 87 178.627 178.627 174.111 4.516 18953 470 1 1 . 1 1 87 87 GLY CA C 87 44.861 44.861 44.910 -0.049 18953 471 1 1 . 1 1 87 87 GLY H H 87 6.662 6.662 8.389 -1.727 18953 472 1 1 . 1 1 88 88 SER N N 88 116.742 116.742 115.812 0.930 18953 473 1 1 . 1 1 88 88 SER HA H 88 4.528 4.528 4.640 -0.112 18953 474 1 1 . 1 1 88 88 SER C C 88 178.527 178.527 172.752 5.775 18953 475 1 1 . 1 1 88 88 SER CA C 88 58.279 58.279 57.931 0.348 18953 476 1 1 . 1 1 88 88 SER CB C 88 64.360 64.360 66.026 -1.667 18953 477 1 1 . 1 1 88 88 SER H H 88 8.235 8.235 8.053 0.182 18953 478 1 1 . 1 1 89 89 PHE N N 89 119.985 119.985 121.464 -1.479 18953 479 1 1 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.097 -0.529 18953 480 1 1 . 1 1 89 89 PHE C C 89 176.551 176.551 175.342 1.209 18953 481 1 1 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.608 -0.873 18953 482 1 1 . 1 1 89 89 PHE CB C 89 41.321 41.321 41.553 -0.232 18953 483 1 1 . 1 1 89 89 PHE H H 89 8.478 8.478 8.687 -0.209 18953 484 1 1 . 1 1 90 90 LYS N N 90 122.179 122.179 127.738 -5.559 18953 485 1 1 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.805 0.351 18953 486 1 1 . 1 1 90 90 LYS C C 90 177.501 177.501 173.767 3.734 18953 487 1 1 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.584 1.228 18953 488 1 1 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.300 -0.599 18953 489 1 1 . 1 1 90 90 LYS H H 90 9.130 9.130 8.734 0.396 18953 490 1 1 . 1 1 91 91 MET N N 91 127.037 127.037 127.044 -0.007 18953 491 1 1 . 1 1 91 91 MET HA H 91 4.835 4.835 4.813 0.022 18953 492 1 1 . 1 1 91 91 MET C C 91 179.276 179.276 174.169 5.107 18953 493 1 1 . 1 1 91 91 MET CA C 91 54.527 54.527 53.834 0.693 18953 494 1 1 . 1 1 91 91 MET CB C 91 36.920 36.920 35.558 1.362 18953 495 1 1 . 1 1 91 91 MET H H 91 9.202 9.202 8.834 0.368 18953 496 1 1 . 1 1 92 92 ARG N N 92 121.520 121.520 126.598 -5.078 18953 497 1 1 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.421 0.447 18953 498 1 1 . 1 1 92 92 ARG C C 92 177.432 177.432 174.902 2.530 18953 499 1 1 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.487 -0.489 18953 500 1 1 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.242 3.243 18953 501 1 1 . 1 1 92 92 ARG H H 92 8.776 8.776 9.025 -0.249 18953 502 1 1 . 1 1 93 93 LEU N N 93 124.749 124.749 125.019 -0.270 18953 503 1 1 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.432 -0.157 18953 504 1 1 . 1 1 93 93 LEU C C 93 176.662 176.662 175.375 1.287 18953 505 1 1 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.698 -0.002 18953 506 1 1 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.539 0.351 18953 507 1 1 . 1 1 93 93 LEU H H 93 8.841 8.841 8.560 0.281 18953 508 1 1 . 1 1 94 94 TYR N N 94 116.673 116.673 120.615 -3.942 18953 509 1 1 . 1 1 94 94 TYR HA H 94 5.424 5.424 5.019 0.405 18953 510 1 1 . 1 1 94 94 TYR C C 94 175.232 175.232 176.521 -1.289 18953 511 1 1 . 1 1 94 94 TYR CA C 94 57.061 57.061 56.991 0.070 18953 512 1 1 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.814 -1.451 18953 513 1 1 . 1 1 94 94 TYR H H 94 8.161 8.161 8.749 -0.588 18953 514 1 1 . 1 1 95 95 GLU N N 95 121.556 121.556 124.967 -3.411 18953 515 1 1 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.046 -0.012 18953 516 1 1 . 1 1 95 95 GLU C C 95 174.587 174.587 175.961 -1.374 18953 517 1 1 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.365 0.595 18953 518 1 1 . 1 1 95 95 GLU CB C 95 33.524 33.524 29.997 3.527 18953 519 1 1 . 1 1 95 95 GLU H H 95 8.537 8.537 8.549 -0.012 18953 520 1 1 . 1 1 96 96 HIS N N 96 113.214 113.214 116.781 -3.567 18953 521 1 1 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.853 0.453 18953 522 1 1 . 1 1 96 96 HIS C C 96 175.830 175.830 176.052 -0.222 18953 523 1 1 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.948 -0.802 18953 524 1 1 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.157 1.207 18953 525 1 1 . 1 1 96 96 HIS H H 96 8.154 8.154 7.550 0.604 18953 526 1 1 . 1 1 97 97 SER N N 97 115.997 115.997 115.667 0.330 18953 527 1 1 . 1 1 97 97 SER HA H 97 4.196 4.196 4.533 -0.337 18953 528 1 1 . 1 1 97 97 SER C C 97 177.588 177.588 174.846 2.742 18953 529 1 1 . 1 1 97 97 SER CA C 97 59.180 59.180 60.556 -1.376 18953 530 1 1 . 1 1 97 97 SER CB C 97 63.740 63.740 63.840 -0.100 18953 531 1 1 . 1 1 97 97 SER H H 97 8.728 8.728 8.794 -0.066 18953 532 1 1 . 1 1 98 98 ASP N N 98 116.560 116.560 121.328 -4.768 18953 533 1 1 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.284 -0.319 18953 534 1 1 . 1 1 98 98 ASP C C 98 176.991 176.991 175.474 1.517 18953 535 1 1 . 1 1 98 98 ASP CA C 98 56.873 56.873 57.079 -0.206 18953 536 1 1 . 1 1 98 98 ASP CB C 98 39.514 39.514 40.239 -0.725 18953 537 1 1 . 1 1 98 98 ASP H H 98 9.714 9.714 8.636 1.078 18953 538 1 1 . 1 1 99 99 MET N N 99 112.109 112.109 118.763 -6.654 18953 539 1 1 . 1 1 99 99 MET HA H 99 2.689 2.689 4.143 -1.454 18953 540 1 1 . 1 1 99 99 MET C C 99 176.133 176.133 174.445 1.688 18953 541 1 1 . 1 1 99 99 MET CA C 99 56.596 56.596 53.707 2.889 18953 542 1 1 . 1 1 99 99 MET CB C 99 27.203 27.203 32.444 -5.242 18953 543 1 1 . 1 1 99 99 MET H H 99 8.425 8.425 7.916 0.509 18953 544 1 1 . 1 1 100 100 GLY N N 100 104.572 104.572 107.359 -2.787 18953 545 1 1 . 1 1 100 100 GLY C C 100 177.855 177.855 174.572 3.283 18953 546 1 1 . 1 1 100 100 GLY CA C 100 44.345 44.345 44.074 0.271 18953 547 1 1 . 1 1 100 100 GLY H H 100 6.670 6.670 7.488 -0.818 18953 548 1 1 . 1 1 101 101 GLY N N 101 105.792 105.792 108.215 -2.423 18953 549 1 1 . 1 1 101 101 GLY C C 101 177.525 177.525 173.845 3.680 18953 550 1 1 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.660 0.446 18953 551 1 1 . 1 1 101 101 GLY H H 101 8.446 8.446 8.295 0.151 18953 552 1 1 . 1 1 102 102 ARG N N 102 121.688 121.688 122.538 -0.850 18953 553 1 1 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.495 -0.497 18953 554 1 1 . 1 1 102 102 ARG C C 102 177.803 177.803 175.972 1.831 18953 555 1 1 . 1 1 102 102 ARG CA C 102 58.368 58.368 54.866 3.502 18953 556 1 1 . 1 1 102 102 ARG CB C 102 31.684 31.684 31.529 0.155 18953 557 1 1 . 1 1 102 102 ARG H H 102 8.785 8.785 8.142 0.643 18953 558 1 1 . 1 1 103 103 MET N N 103 122.371 122.371 122.656 -0.285 18953 559 1 1 . 1 1 103 103 MET HA H 103 4.754 4.754 4.834 -0.080 18953 560 1 1 . 1 1 103 103 MET C C 103 175.490 175.490 174.758 0.732 18953 561 1 1 . 1 1 103 103 MET CA C 103 53.993 53.993 54.218 -0.225 18953 562 1 1 . 1 1 103 103 MET CB C 103 34.860 34.860 33.094 1.766 18953 563 1 1 . 1 1 103 103 MET H H 103 7.905 7.905 8.439 -0.534 18953 564 1 1 . 1 1 104 104 MET N N 104 127.629 127.629 123.766 3.863 18953 565 1 1 . 1 1 104 104 MET HA H 104 4.318 4.318 4.524 -0.206 18953 566 1 1 . 1 1 104 104 MET C C 104 177.870 177.870 174.933 2.937 18953 567 1 1 . 1 1 104 104 MET CA C 104 54.080 54.080 53.833 0.247 18953 568 1 1 . 1 1 104 104 MET CB C 104 35.315 35.315 33.923 1.392 18953 569 1 1 . 1 1 104 104 MET H H 104 8.796 8.796 8.305 0.491 18953 570 1 1 . 1 1 105 105 GLU N N 105 123.753 123.753 122.646 1.107 18953 571 1 1 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.712 0.134 18953 572 1 1 . 1 1 105 105 GLU C C 105 176.871 176.871 175.548 1.323 18953 573 1 1 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.675 0.013 18953 574 1 1 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.034 2.481 18953 575 1 1 . 1 1 105 105 GLU H H 105 8.467 8.467 8.489 -0.022 18953 576 1 1 . 1 1 106 106 LEU N N 106 125.076 125.076 125.893 -0.817 18953 577 1 1 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.862 0.026 18953 578 1 1 . 1 1 106 106 LEU C C 106 175.666 175.666 175.231 0.435 18953 579 1 1 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.411 0.489 18953 580 1 1 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.508 2.289 18953 581 1 1 . 1 1 106 106 LEU H H 106 8.933 8.933 8.666 0.267 18953 582 1 1 . 1 1 107 107 MET N N 107 120.889 120.889 122.103 -1.214 18953 583 1 1 . 1 1 107 107 MET HA H 107 5.152 5.152 5.017 0.135 18953 584 1 1 . 1 1 107 107 MET C C 107 177.873 177.873 174.459 3.414 18953 585 1 1 . 1 1 107 107 MET CA C 107 55.430 55.430 55.372 0.058 18953 586 1 1 . 1 1 107 107 MET CB C 107 35.107 35.107 34.114 0.993 18953 587 1 1 . 1 1 107 107 MET H H 107 9.099 9.099 9.054 0.045 18953 588 1 1 . 1 1 108 108 ASP N N 108 120.261 120.261 116.967 3.294 18953 589 1 1 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.728 -0.279 18953 590 1 1 . 1 1 108 108 ASP C C 108 178.998 178.998 174.724 4.274 18953 591 1 1 . 1 1 108 108 ASP CA C 108 51.953 51.953 52.412 -0.459 18953 592 1 1 . 1 1 108 108 ASP CB C 108 43.335 43.335 42.177 1.158 18953 593 1 1 . 1 1 108 108 ASP H H 108 7.874 7.874 7.900 -0.026 18953 594 1 1 . 1 1 109 109 ASP N N 109 115.191 115.191 118.091 -2.900 18953 595 1 1 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.661 0.177 18953 596 1 1 . 1 1 109 109 ASP C C 109 174.768 174.768 175.791 -1.023 18953 597 1 1 . 1 1 109 109 ASP CA C 109 55.106 55.106 53.715 1.391 18953 598 1 1 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.379 -0.321 18953 599 1 1 . 1 1 109 109 ASP H H 109 8.065 8.065 8.313 -0.248 18953 600 1 1 . 1 1 110 110 CYS N N 110 120.716 120.716 122.545 -1.829 18953 601 1 1 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.867 0.272 18953 602 1 1 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.509 0.308 18953 603 1 1 . 1 1 110 110 CYS CB C 110 29.730 29.730 29.624 0.106 18953 604 1 1 . 1 1 110 110 CYS H H 110 9.583 9.583 8.578 1.005 18953 605 1 1 . 1 1 111 111 PRO HA H 111 3.971 3.971 3.850 0.121 18953 606 1 1 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.034 0.110 18953 607 1 1 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.262 -0.353 18953 608 1 1 . 1 1 112 112 ASN N N 112 116.300 116.300 115.550 0.750 18953 609 1 1 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.900 -0.125 18953 610 1 1 . 1 1 112 112 ASN C C 112 175.948 175.948 175.295 0.653 18953 611 1 1 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.381 1.740 18953 612 1 1 . 1 1 112 112 ASN CB C 112 38.709 38.709 39.875 -1.166 18953 613 1 1 . 1 1 112 112 ASN H H 112 7.385 7.385 7.763 -0.378 18953 614 1 1 . 1 1 113 113 LEU N N 113 129.895 129.895 123.501 6.394 18953 615 1 1 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.146 0.011 18953 616 1 1 . 1 1 113 113 LEU C C 113 173.709 173.709 178.187 -4.478 18953 617 1 1 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.953 0.937 18953 618 1 1 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.570 -0.119 18953 619 1 1 . 1 1 113 113 LEU H H 113 8.154 8.154 8.666 -0.512 18953 620 1 1 . 1 1 114 114 MET N N 114 120.939 120.939 118.060 2.879 18953 621 1 1 . 1 1 114 114 MET HA H 114 4.204 4.204 4.081 0.123 18953 622 1 1 . 1 1 114 114 MET C C 114 171.942 171.942 177.341 -5.399 18953 623 1 1 . 1 1 114 114 MET CA C 114 58.354 58.354 58.734 -0.380 18953 624 1 1 . 1 1 114 114 MET CB C 114 31.118 31.118 32.064 -0.946 18953 625 1 1 . 1 1 114 114 MET H H 114 8.421 8.421 8.235 0.186 18953 626 1 1 . 1 1 115 115 ASP N N 115 119.204 119.204 116.935 2.269 18953 627 1 1 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.526 -0.253 18953 628 1 1 . 1 1 115 115 ASP C C 115 174.228 174.228 177.748 -3.520 18953 629 1 1 . 1 1 115 115 ASP CA C 115 56.737 56.737 55.712 1.025 18953 630 1 1 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.851 -0.230 18953 631 1 1 . 1 1 115 115 ASP H H 115 7.695 7.695 7.737 -0.042 18953 632 1 1 . 1 1 116 116 ARG N N 116 116.937 116.937 119.052 -2.115 18953 633 1 1 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.038 0.020 18953 634 1 1 . 1 1 116 116 ARG C C 116 174.084 174.084 177.669 -3.585 18953 635 1 1 . 1 1 116 116 ARG CA C 116 57.839 57.839 57.945 -0.106 18953 636 1 1 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.468 1.631 18953 637 1 1 . 1 1 116 116 ARG H H 116 7.118 7.118 7.405 -0.287 18953 638 1 1 . 1 1 117 117 PHE N N 117 113.914 113.914 115.130 -1.216 18953 639 1 1 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.690 0.435 18953 640 1 1 . 1 1 117 117 PHE C C 117 175.681 175.681 174.524 1.157 18953 641 1 1 . 1 1 117 117 PHE CA C 117 57.040 57.040 57.270 -0.230 18953 642 1 1 . 1 1 117 117 PHE CB C 117 41.881 41.881 39.325 2.556 18953 643 1 1 . 1 1 117 117 PHE H H 117 8.641 8.641 7.761 0.880 18953 644 1 1 . 1 1 118 118 ASN N N 118 117.137 117.137 117.011 0.126 18953 645 1 1 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.624 0.222 18953 646 1 1 . 1 1 118 118 ASN C C 118 177.553 177.553 173.959 3.594 18953 647 1 1 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.040 0.998 18953 648 1 1 . 1 1 118 118 ASN CB C 118 38.049 38.049 37.814 0.235 18953 649 1 1 . 1 1 118 118 ASN H H 118 8.478 8.478 7.971 0.507 18953 650 1 1 . 1 1 119 119 MET N N 119 114.316 114.316 114.266 0.050 18953 651 1 1 . 1 1 119 119 MET HA H 119 4.386 4.386 4.731 -0.345 18953 652 1 1 . 1 1 119 119 MET C C 119 178.321 178.321 173.646 4.675 18953 653 1 1 . 1 1 119 119 MET CA C 119 55.950 55.950 54.516 1.434 18953 654 1 1 . 1 1 119 119 MET CB C 119 37.233 37.233 35.096 2.137 18953 655 1 1 . 1 1 119 119 MET H H 119 7.286 7.286 7.274 0.012 18953 656 1 1 . 1 1 120 120 SER N N 120 111.310 111.310 114.975 -3.665 18953 657 1 1 . 1 1 120 120 SER HA H 120 4.682 4.682 4.895 -0.213 18953 658 1 1 . 1 1 120 120 SER C C 120 179.047 179.047 173.611 5.436 18953 659 1 1 . 1 1 120 120 SER CA C 120 57.435 57.435 57.894 -0.459 18953 660 1 1 . 1 1 120 120 SER CB C 120 65.594 65.594 64.528 1.066 18953 661 1 1 . 1 1 120 120 SER H H 120 8.361 8.361 8.348 0.013 18953 662 1 1 . 1 1 121 121 ASP N N 121 120.422 120.422 123.145 -2.723 18953 663 1 1 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.486 -0.404 18953 664 1 1 . 1 1 121 121 ASP C C 121 177.532 177.532 174.721 2.811 18953 665 1 1 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.288 0.342 18953 666 1 1 . 1 1 121 121 ASP CB C 121 43.513 43.513 42.036 1.477 18953 667 1 1 . 1 1 121 121 ASP H H 121 6.829 6.829 7.455 -0.626 18953 668 1 1 . 1 1 122 122 PHE N N 122 120.611 120.611 120.778 -0.167 18953 669 1 1 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.650 0.045 18953 670 1 1 . 1 1 122 122 PHE C C 122 177.316 177.316 175.489 1.827 18953 671 1 1 . 1 1 122 122 PHE CA C 122 57.660 57.660 56.503 1.157 18953 672 1 1 . 1 1 122 122 PHE CB C 122 40.871 40.871 39.670 1.201 18953 673 1 1 . 1 1 122 122 PHE H H 122 8.376 8.376 8.422 -0.046 18953 674 1 1 . 1 1 123 123 HIS N N 123 116.193 116.193 118.938 -2.745 18953 675 1 1 . 1 1 123 123 HIS HA H 123 4.765 4.765 4.954 -0.189 18953 676 1 1 . 1 1 123 123 HIS C C 123 176.431 176.431 175.112 1.319 18953 677 1 1 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.350 1.254 18953 678 1 1 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.367 1.913 18953 679 1 1 . 1 1 123 123 HIS H H 123 7.577 7.577 8.679 -1.102 18953 680 1 1 . 1 1 124 124 SER N N 124 107.332 107.332 113.029 -5.697 18953 681 1 1 . 1 1 124 124 SER HA H 124 4.698 4.698 5.331 -0.633 18953 682 1 1 . 1 1 124 124 SER C C 124 178.179 178.179 172.449 5.730 18953 683 1 1 . 1 1 124 124 SER CA C 124 59.556 59.556 57.011 2.545 18953 684 1 1 . 1 1 124 124 SER CB C 124 65.667 65.667 65.957 -0.290 18953 685 1 1 . 1 1 124 124 SER H H 124 8.256 8.256 8.299 -0.043 18953 686 1 1 . 1 1 125 125 CYS N N 125 113.874 113.874 119.944 -6.070 18953 687 1 1 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.402 0.149 18953 688 1 1 . 1 1 125 125 CYS C C 125 179.655 179.655 172.617 7.038 18953 689 1 1 . 1 1 125 125 CYS CA C 125 57.871 57.871 58.348 -0.477 18953 690 1 1 . 1 1 125 125 CYS CB C 125 30.586 30.586 30.565 0.021 18953 691 1 1 . 1 1 125 125 CYS H H 125 9.561 9.561 8.806 0.755 18953 692 1 1 . 1 1 126 126 HIS N N 126 124.829 124.829 121.758 3.071 18953 693 1 1 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.307 0.174 18953 694 1 1 . 1 1 126 126 HIS C C 126 176.575 176.575 173.030 3.545 18953 695 1 1 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.446 -2.139 18953 696 1 1 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.909 1.214 18953 697 1 1 . 1 1 126 126 HIS H H 126 9.858 9.858 8.845 1.013 18953 698 1 1 . 1 1 127 127 VAL N N 127 128.620 128.620 124.475 4.145 18953 699 1 1 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.375 -0.501 18953 700 1 1 . 1 1 127 127 VAL C C 127 176.660 176.660 174.700 1.960 18953 701 1 1 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.124 2.361 18953 702 1 1 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.173 -2.174 18953 703 1 1 . 1 1 127 127 VAL H H 127 9.408 9.408 7.943 1.465 18953 704 1 1 . 1 1 128 128 MET N N 128 129.466 129.466 126.499 2.967 18953 705 1 1 . 1 1 128 128 MET HA H 128 3.930 3.930 4.633 -0.703 18953 706 1 1 . 1 1 128 128 MET C C 128 176.093 176.093 175.644 0.449 18953 707 1 1 . 1 1 128 128 MET CA C 128 58.109 58.109 56.570 1.539 18953 708 1 1 . 1 1 128 128 MET CB C 128 34.019 34.019 33.825 0.194 18953 709 1 1 . 1 1 128 128 MET H H 128 7.906 7.906 8.821 -0.915 18953 710 1 1 . 1 1 129 129 ASP N N 129 116.435 116.435 114.306 2.129 18953 711 1 1 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.548 0.284 18953 712 1 1 . 1 1 129 129 ASP C C 129 174.959 174.959 174.830 0.129 18953 713 1 1 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.153 0.028 18953 714 1 1 . 1 1 129 129 ASP CB C 129 45.131 45.131 43.141 1.990 18953 715 1 1 . 1 1 129 129 ASP H H 129 8.349 8.349 7.655 0.694 18953 716 1 1 . 1 1 130 130 GLY N N 130 113.062 113.062 107.099 5.963 18953 717 1 1 . 1 1 130 130 GLY C C 130 183.642 183.642 172.154 11.488 18953 718 1 1 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.354 0.118 18953 719 1 1 . 1 1 130 130 GLY H H 130 8.479 8.479 8.161 0.318 18953 720 1 1 . 1 1 131 131 HIS N N 131 114.389 114.389 118.786 -4.397 18953 721 1 1 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.897 0.105 18953 722 1 1 . 1 1 131 131 HIS C C 131 176.470 176.470 173.434 3.036 18953 723 1 1 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.017 1.301 18953 724 1 1 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.438 1.597 18953 725 1 1 . 1 1 131 131 HIS H H 131 6.228 6.228 8.336 -2.108 18953 726 1 1 . 1 1 132 132 TRP N N 132 122.333 122.333 122.234 0.099 18953 727 1 1 . 1 1 132 132 TRP HA H 132 5.135 5.135 4.926 0.209 18953 728 1 1 . 1 1 132 132 TRP C C 132 177.557 177.557 174.661 2.896 18953 729 1 1 . 1 1 132 132 TRP CA C 132 56.896 56.896 55.968 0.928 18953 730 1 1 . 1 1 132 132 TRP CB C 132 33.795 33.795 31.915 1.880 18953 731 1 1 . 1 1 132 132 TRP H H 132 8.838 8.838 8.742 0.096 18953 732 1 1 . 1 1 133 133 LEU N N 133 121.883 121.883 123.700 -1.817 18953 733 1 1 . 1 1 133 133 LEU HA H 133 5.122 5.122 4.969 0.153 18953 734 1 1 . 1 1 133 133 LEU C C 133 176.457 176.457 175.824 0.633 18953 735 1 1 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.276 -0.740 18953 736 1 1 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.076 3.494 18953 737 1 1 . 1 1 133 133 LEU H H 133 9.403 9.403 8.931 0.472 18953 738 1 1 . 1 1 134 134 VAL N N 134 123.013 123.013 122.968 0.045 18953 739 1 1 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.319 0.240 18953 740 1 1 . 1 1 134 134 VAL C C 134 177.780 177.780 174.565 3.215 18953 741 1 1 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.116 -0.167 18953 742 1 1 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.519 -0.430 18953 743 1 1 . 1 1 134 134 VAL H H 134 8.948 8.948 9.023 -0.075 18953 744 1 1 . 1 1 135 135 TYR N N 135 122.405 122.405 125.430 -3.025 18953 745 1 1 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.974 0.566 18953 746 1 1 . 1 1 135 135 TYR C C 135 172.456 172.456 176.102 -3.646 18953 747 1 1 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.806 -0.809 18953 748 1 1 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.611 -0.866 18953 749 1 1 . 1 1 135 135 TYR H H 135 9.068 9.068 9.409 -0.341 18953 750 1 1 . 1 1 136 136 GLU N N 136 121.335 121.335 124.446 -3.111 18953 751 1 1 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.356 -0.253 18953 752 1 1 . 1 1 136 136 GLU C C 136 176.022 176.022 176.725 -0.703 18953 753 1 1 . 1 1 136 136 GLU CA C 136 59.896 59.896 58.964 0.932 18953 754 1 1 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.596 2.331 18953 755 1 1 . 1 1 136 136 GLU H H 136 9.360 9.360 8.507 0.853 18953 756 1 1 . 1 1 137 137 GLN N N 137 111.530 111.530 116.232 -4.702 18953 757 1 1 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.784 0.183 18953 758 1 1 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.625 0.208 18953 759 1 1 . 1 1 137 137 GLN CB C 137 29.142 29.142 31.533 -2.391 18953 760 1 1 . 1 1 137 137 GLN H H 137 7.808 7.808 8.060 -0.252 18953 761 1 1 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.320 -0.178 18953 762 1 1 . 1 1 138 138 PRO C C 138 176.607 176.607 177.157 -0.550 18953 763 1 1 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.324 -0.863 18953 764 1 1 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.586 0.607 18953 765 1 1 . 1 1 139 139 ASN N N 139 113.240 113.240 115.488 -2.248 18953 766 1 1 . 1 1 139 139 ASN HA H 139 3.356 3.356 3.993 -0.637 18953 767 1 1 . 1 1 139 139 ASN C C 139 177.996 177.996 174.031 3.965 18953 768 1 1 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.150 0.097 18953 769 1 1 . 1 1 139 139 ASN CB C 139 36.635 36.635 37.388 -0.753 18953 770 1 1 . 1 1 139 139 ASN H H 139 9.683 9.683 8.115 1.568 18953 771 1 1 . 1 1 140 140 TYR N N 140 113.289 113.289 108.836 4.453 18953 772 1 1 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.249 -0.489 18953 773 1 1 . 1 1 140 140 TYR C C 140 176.488 176.488 174.560 1.928 18953 774 1 1 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.332 -3.036 18953 775 1 1 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.583 -0.623 18953 776 1 1 . 1 1 140 140 TYR H H 140 8.000 8.000 7.698 0.302 18953 777 1 1 . 1 1 141 141 THR N N 141 108.766 108.766 106.803 1.963 18953 778 1 1 . 1 1 141 141 THR HA H 141 4.697 4.697 4.631 0.066 18953 779 1 1 . 1 1 141 141 THR C C 141 178.578 178.578 173.581 4.997 18953 780 1 1 . 1 1 141 141 THR CA C 141 60.128 60.128 60.520 -0.392 18953 781 1 1 . 1 1 141 141 THR CB C 141 72.848 72.848 72.459 0.389 18953 782 1 1 . 1 1 141 141 THR H H 141 6.280 6.280 7.886 -1.606 18953 783 1 1 . 1 1 142 142 GLY N N 142 106.121 106.121 107.695 -1.574 18953 784 1 1 . 1 1 142 142 GLY C C 142 177.117 177.117 173.619 3.498 18953 785 1 1 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.655 -0.488 18953 786 1 1 . 1 1 142 142 GLY H H 142 8.285 8.285 8.364 -0.079 18953 787 1 1 . 1 1 143 143 ARG N N 143 120.212 120.212 121.058 -0.846 18953 788 1 1 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.996 -0.060 18953 789 1 1 . 1 1 143 143 ARG C C 143 177.580 177.580 176.234 1.346 18953 790 1 1 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.205 1.915 18953 791 1 1 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.651 1.505 18953 792 1 1 . 1 1 143 143 ARG H H 143 8.583 8.583 8.348 0.235 18953 793 1 1 . 1 1 144 144 GLN N N 144 119.516 119.516 122.686 -3.170 18953 794 1 1 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.769 0.122 18953 795 1 1 . 1 1 144 144 GLN C C 144 176.985 176.985 174.723 2.262 18953 796 1 1 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.993 -1.671 18953 797 1 1 . 1 1 144 144 GLN CB C 144 32.645 32.645 30.400 2.245 18953 798 1 1 . 1 1 144 144 GLN H H 144 7.552 7.552 8.150 -0.599 18953 799 1 1 . 1 1 145 145 PHE N N 145 114.745 114.745 123.610 -8.865 18953 800 1 1 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.756 -0.099 18953 801 1 1 . 1 1 145 145 PHE C C 145 176.969 176.969 174.069 2.900 18953 802 1 1 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.628 -0.722 18953 803 1 1 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.566 -0.299 18953 804 1 1 . 1 1 145 145 PHE H H 145 8.696 8.696 8.925 -0.229 18953 805 1 1 . 1 1 146 146 TYR N N 146 124.271 124.271 126.360 -2.089 18953 806 1 1 . 1 1 146 146 TYR HA H 146 5.274 5.274 4.925 0.349 18953 807 1 1 . 1 1 146 146 TYR C C 146 176.212 176.212 174.476 1.736 18953 808 1 1 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.607 -1.867 18953 809 1 1 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.743 -0.509 18953 810 1 1 . 1 1 146 146 TYR H H 146 8.915 8.915 8.626 0.289 18953 811 1 1 . 1 1 147 147 LEU N N 147 103.207 103.207 129.245 -26.038 18953 812 1 1 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.534 -0.143 18953 813 1 1 . 1 1 147 147 LEU C C 147 178.198 178.198 175.836 2.362 18953 814 1 1 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.153 0.816 18953 815 1 1 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.230 1.915 18953 816 1 1 . 1 1 147 147 LEU H H 147 9.229 9.229 8.678 0.551 18953 817 1 1 . 1 1 148 148 ARG N N 148 120.815 120.815 122.737 -1.922 18953 818 1 1 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.997 -0.418 18953 819 1 1 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.717 0.277 18953 820 1 1 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.631 -0.375 18953 821 1 1 . 1 1 148 148 ARG H H 148 6.955 6.955 9.204 -2.249 18953 822 1 1 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.160 0.026 18953 823 1 1 . 1 1 149 149 PRO C C 149 175.154 175.154 177.270 -2.116 18953 824 1 1 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.083 1.772 18953 825 1 1 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.850 -0.213 18953 826 1 1 . 1 1 150 150 GLY N N 150 111.695 111.695 109.421 2.274 18953 827 1 1 . 1 1 150 150 GLY C C 150 179.740 179.740 171.653 8.087 18953 828 1 1 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.296 0.317 18953 829 1 1 . 1 1 150 150 GLY H H 150 8.965 8.965 7.580 1.385 18953 830 1 1 . 1 1 151 151 GLU N N 151 118.822 118.822 119.754 -0.932 18953 831 1 1 . 1 1 151 151 GLU HA H 151 4.323 4.323 5.020 -0.697 18953 832 1 1 . 1 1 151 151 GLU C C 151 176.078 176.078 174.739 1.339 18953 833 1 1 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.110 1.443 18953 834 1 1 . 1 1 151 151 GLU CB C 151 31.878 31.878 32.446 -0.567 18953 835 1 1 . 1 1 151 151 GLU H H 151 8.403 8.403 8.227 0.176 18953 836 1 1 . 1 1 152 152 TYR N N 152 123.055 123.055 122.308 0.747 18953 837 1 1 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.869 -0.129 18953 838 1 1 . 1 1 152 152 TYR C C 152 176.413 176.413 176.018 0.395 18953 839 1 1 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.481 -0.511 18953 840 1 1 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.480 -2.707 18953 841 1 1 . 1 1 152 152 TYR H H 152 8.859 8.859 9.386 -0.527 18953 842 1 1 . 1 1 153 153 ARG N N 153 124.271 124.271 120.148 4.123 18953 843 1 1 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.715 -0.699 18953 844 1 1 . 1 1 153 153 ARG C C 153 176.727 176.727 176.034 0.693 18953 845 1 1 . 1 1 153 153 ARG CA C 153 60.204 60.204 56.044 4.160 18953 846 1 1 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.773 -2.433 18953 847 1 1 . 1 1 153 153 ARG H H 153 8.882 8.882 9.822 -0.940 18953 848 1 1 . 1 1 154 154 SER N N 154 111.500 111.500 111.856 -0.356 18953 849 1 1 . 1 1 154 154 SER HA H 154 5.194 5.194 4.616 0.578 18953 850 1 1 . 1 1 154 154 SER C C 154 176.379 176.379 173.334 3.045 18953 851 1 1 . 1 1 154 154 SER CA C 154 56.894 56.894 56.028 0.866 18953 852 1 1 . 1 1 154 154 SER CB C 154 66.352 66.352 63.851 2.501 18953 853 1 1 . 1 1 154 154 SER H H 154 8.070 8.070 7.742 0.328 18953 854 1 1 . 1 1 155 155 TYR N N 155 119.386 119.386 120.986 -1.600 18953 855 1 1 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.348 -2.185 18953 856 1 1 . 1 1 155 155 TYR C C 155 174.639 174.639 176.808 -2.169 18953 857 1 1 . 1 1 155 155 TYR CA C 155 57.369 57.369 60.691 -3.321 18953 858 1 1 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.553 0.846 18953 859 1 1 . 1 1 155 155 TYR H H 155 7.638 7.638 7.660 -0.022 18953 860 1 1 . 1 1 156 156 ASN N N 156 119.038 119.038 114.587 4.451 18953 861 1 1 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.433 -0.313 18953 862 1 1 . 1 1 156 156 ASN C C 156 172.889 172.889 174.627 -1.738 18953 863 1 1 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.207 2.389 18953 864 1 1 . 1 1 156 156 ASN CB C 156 38.621 38.621 37.769 0.852 18953 865 1 1 . 1 1 156 156 ASN H H 156 6.819 6.819 7.954 -1.135 18953 866 1 1 . 1 1 157 157 ASP N N 157 118.338 118.338 120.606 -2.268 18953 867 1 1 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.551 0.030 18953 868 1 1 . 1 1 157 157 ASP C C 157 173.908 173.908 177.368 -3.460 18953 869 1 1 . 1 1 157 157 ASP CA C 157 57.382 57.382 56.639 0.743 18953 870 1 1 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.288 0.338 18953 871 1 1 . 1 1 157 157 ASP H H 157 7.791 7.791 7.399 0.392 18953 872 1 1 . 1 1 158 158 TRP N N 158 114.610 114.610 118.957 -4.347 18953 873 1 1 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.980 0.354 18953 874 1 1 . 1 1 158 158 TRP C C 158 175.711 175.711 176.626 -0.915 18953 875 1 1 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.715 0.354 18953 876 1 1 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.573 -0.454 18953 877 1 1 . 1 1 158 158 TRP H H 158 7.000 7.000 6.845 0.155 18953 878 1 1 . 1 1 159 159 GLY N N 159 108.647 108.647 108.423 0.224 18953 879 1 1 . 1 1 159 159 GLY C C 159 175.991 175.991 174.194 1.797 18953 880 1 1 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.326 0.406 18953 881 1 1 . 1 1 159 159 GLY H H 159 7.588 7.588 7.813 -0.225 18953 882 1 1 . 1 1 160 160 GLY N N 160 107.348 107.348 105.986 1.362 18953 883 1 1 . 1 1 160 160 GLY C C 160 178.604 178.604 172.843 5.761 18953 884 1 1 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.612 1.744 18953 885 1 1 . 1 1 160 160 GLY H H 160 7.326 7.326 7.793 -0.467 18953 886 1 1 . 1 1 161 161 VAL N N 161 118.047 118.047 116.260 1.787 18953 887 1 1 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.215 0.037 18953 888 1 1 . 1 1 161 161 VAL C C 161 175.118 175.118 175.483 -0.365 18953 889 1 1 . 1 1 161 161 VAL CA C 161 63.303 63.303 63.379 -0.076 18953 890 1 1 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.596 -0.761 18953 891 1 1 . 1 1 161 161 VAL H H 161 8.697 8.697 8.526 0.171 18953 892 1 1 . 1 1 162 162 THR N N 162 111.630 111.630 108.726 2.904 18953 893 1 1 . 1 1 162 162 THR HA H 162 3.659 3.659 4.127 -0.468 18953 894 1 1 . 1 1 162 162 THR C C 162 179.191 179.191 174.252 4.939 18953 895 1 1 . 1 1 162 162 THR CA C 162 59.431 59.431 60.403 -0.972 18953 896 1 1 . 1 1 162 162 THR CB C 162 71.935 71.935 71.401 0.534 18953 897 1 1 . 1 1 162 162 THR H H 162 7.864 7.864 7.641 0.223 18953 898 1 1 . 1 1 163 163 SER N N 163 112.275 112.275 113.158 -0.883 18953 899 1 1 . 1 1 163 163 SER HA H 163 4.018 4.018 4.783 -0.765 18953 900 1 1 . 1 1 163 163 SER C C 163 178.307 178.307 174.356 3.951 18953 901 1 1 . 1 1 163 163 SER CA C 163 57.968 57.968 57.931 0.037 18953 902 1 1 . 1 1 163 163 SER CB C 163 63.093 63.093 64.680 -1.587 18953 903 1 1 . 1 1 163 163 SER H H 163 7.502 7.502 8.532 -1.030 18953 904 1 1 . 1 1 164 164 ARG N N 164 122.770 122.770 124.339 -1.569 18953 905 1 1 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.714 -0.289 18953 906 1 1 . 1 1 164 164 ARG C C 164 175.003 175.003 175.125 -0.122 18953 907 1 1 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.503 0.634 18953 908 1 1 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.591 1.862 18953 909 1 1 . 1 1 164 164 ARG H H 164 7.578 7.578 7.651 -0.073 18953 910 1 1 . 1 1 165 165 MET N N 165 122.454 122.454 121.326 1.128 18953 911 1 1 . 1 1 165 165 MET HA H 165 4.620 4.620 4.912 -0.292 18953 912 1 1 . 1 1 165 165 MET C C 165 177.244 177.244 175.958 1.286 18953 913 1 1 . 1 1 165 165 MET CA C 165 56.192 56.192 55.437 0.755 18953 914 1 1 . 1 1 165 165 MET CB C 165 37.269 37.269 33.862 3.407 18953 915 1 1 . 1 1 165 165 MET H H 165 8.480 8.480 8.666 -0.186 18953 916 1 1 . 1 1 166 166 GLY N N 166 107.987 107.987 110.120 -2.133 18953 917 1 1 . 1 1 166 166 GLY C C 166 177.648 177.648 173.334 4.314 18953 918 1 1 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.713 0.979 18953 919 1 1 . 1 1 166 166 GLY H H 166 9.046 9.046 8.679 0.367 18953 920 1 1 . 1 1 167 167 SER N N 167 113.024 113.024 115.854 -2.830 18953 921 1 1 . 1 1 167 167 SER HA H 167 4.562 4.562 5.749 -1.187 18953 922 1 1 . 1 1 167 167 SER C C 167 179.104 179.104 172.754 6.350 18953 923 1 1 . 1 1 167 167 SER CA C 167 58.729 58.729 56.288 2.441 18953 924 1 1 . 1 1 167 167 SER CB C 167 64.816 64.816 65.609 -0.793 18953 925 1 1 . 1 1 167 167 SER H H 167 8.257 8.257 7.982 0.275 18953 926 1 1 . 1 1 168 168 ILE N N 168 118.927 118.927 122.082 -3.155 18953 927 1 1 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.081 0.427 18953 928 1 1 . 1 1 168 168 ILE C C 168 177.783 177.783 174.049 3.734 18953 929 1 1 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.812 0.349 18953 930 1 1 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.244 0.966 18953 931 1 1 . 1 1 168 168 ILE H H 168 8.922 8.922 9.149 -0.227 18953 932 1 1 . 1 1 169 169 ARG N N 169 124.820 124.820 124.669 0.151 18953 933 1 1 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.913 0.132 18953 934 1 1 . 1 1 169 169 ARG C C 169 177.350 177.350 174.106 3.244 18953 935 1 1 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.407 -0.222 18953 936 1 1 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.721 0.271 18953 937 1 1 . 1 1 169 169 ARG H H 169 9.757 9.757 9.139 0.618 18953 938 1 1 . 1 1 170 170 ARG N N 170 122.951 122.951 127.397 -4.446 18953 939 1 1 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.672 -0.407 18953 940 1 1 . 1 1 170 170 ARG C C 170 174.373 174.373 175.396 -1.023 18953 941 1 1 . 1 1 170 170 ARG CA C 170 55.170 55.170 54.207 0.963 18953 942 1 1 . 1 1 170 170 ARG CB C 170 30.150 30.150 29.978 0.172 18953 943 1 1 . 1 1 170 170 ARG H H 170 8.552 8.552 8.645 -0.093 18953 944 1 1 . 1 1 171 171 ILE N N 171 123.280 123.280 128.129 -4.849 18953 945 1 1 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.698 0.104 18953 946 1 1 . 1 1 171 171 ILE C C 171 177.088 177.088 174.387 2.701 18953 947 1 1 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.636 -0.075 18953 948 1 1 . 1 1 171 171 ILE CB C 171 36.326 36.326 37.595 -1.269 18953 949 1 1 . 1 1 171 171 ILE H H 171 8.424 8.424 8.069 0.355 18953 950 1 1 . 1 1 172 172 THR N N 172 117.270 117.270 119.795 -2.525 18953 951 1 1 . 1 1 172 172 THR HA H 172 4.558 4.558 4.265 0.293 18953 952 1 1 . 1 1 172 172 THR C C 172 177.651 177.651 172.707 4.944 18953 953 1 1 . 1 1 172 172 THR CA C 172 60.095 60.095 61.378 -1.283 18953 954 1 1 . 1 1 172 172 THR CB C 172 70.040 70.040 69.021 1.019 18953 955 1 1 . 1 1 172 172 THR H H 172 7.299 7.299 7.684 -0.385 18953 956 1 1 . 1 1 173 173 ASP N N 173 121.598 121.598 121.561 0.037 18953 957 1 1 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.677 -0.232 18953 958 1 1 . 1 1 173 173 ASP C C 173 177.041 177.041 175.500 1.541 18953 959 1 1 . 1 1 173 173 ASP CA C 173 55.010 55.010 54.864 0.146 18953 960 1 1 . 1 1 173 173 ASP CB C 173 41.524 41.524 41.678 -0.154 18953 961 1 1 . 1 1 173 173 ASP H H 173 8.477 8.477 8.038 0.439 18953 962 1 2 . 1 1 2 2 GLY C C 2 182.782 182.782 172.794 9.988 18953 963 1 2 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.187 -1.640 18953 964 1 2 . 1 1 3 3 LYS N N 3 120.153 120.153 120.767 -0.614 18953 965 1 2 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.490 0.525 18953 966 1 2 . 1 1 3 3 LYS C C 3 179.140 179.140 174.091 5.049 18953 967 1 2 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.525 1.785 18953 968 1 2 . 1 1 3 3 LYS CB C 3 35.698 35.698 37.032 -1.334 18953 969 1 2 . 1 1 3 3 LYS H H 3 8.398 8.398 7.915 0.483 18953 970 1 2 . 1 1 4 4 ILE N N 4 129.769 129.769 122.361 7.408 18953 971 1 2 . 1 1 4 4 ILE HA H 4 4.606 4.606 5.059 -0.453 18953 972 1 2 . 1 1 4 4 ILE C C 4 180.618 180.618 173.276 7.342 18953 973 1 2 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.737 -0.337 18953 974 1 2 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.592 -0.573 18953 975 1 2 . 1 1 4 4 ILE H H 4 8.871 8.871 8.508 0.363 18953 976 1 2 . 1 1 5 5 ILE N N 5 125.103 125.103 127.593 -2.490 18953 977 1 2 . 1 1 5 5 ILE HA H 5 4.508 4.508 5.013 -0.505 18953 978 1 2 . 1 1 5 5 ILE C C 5 177.516 177.516 174.691 2.825 18953 979 1 2 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.486 1.343 18953 980 1 2 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.879 -0.462 18953 981 1 2 . 1 1 5 5 ILE H H 5 8.788 8.788 8.933 -0.145 18953 982 1 2 . 1 1 6 6 PHE N N 6 125.558 125.558 125.530 0.028 18953 983 1 2 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.883 -0.260 18953 984 1 2 . 1 1 6 6 PHE C C 6 176.512 176.512 174.617 1.895 18953 985 1 2 . 1 1 6 6 PHE CA C 6 57.219 57.219 56.682 0.537 18953 986 1 2 . 1 1 6 6 PHE CB C 6 41.483 41.483 40.755 0.728 18953 987 1 2 . 1 1 6 6 PHE H H 6 8.540 8.540 9.260 -0.720 18953 988 1 2 . 1 1 7 7 TYR N N 7 120.647 120.647 121.606 -0.959 18953 989 1 2 . 1 1 7 7 TYR HA H 7 5.171 5.171 5.025 0.146 18953 990 1 2 . 1 1 7 7 TYR C C 7 173.898 173.898 175.881 -1.983 18953 991 1 2 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.227 0.219 18953 992 1 2 . 1 1 7 7 TYR CB C 7 39.310 39.310 41.619 -2.309 18953 993 1 2 . 1 1 7 7 TYR H H 7 8.889 8.889 9.413 -0.524 18953 994 1 2 . 1 1 8 8 GLU N N 8 122.007 122.007 123.701 -1.694 18953 995 1 2 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.259 -0.078 18953 996 1 2 . 1 1 8 8 GLU C C 8 174.881 174.881 176.978 -2.097 18953 997 1 2 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.281 1.785 18953 998 1 2 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.636 1.416 18953 999 1 2 . 1 1 8 8 GLU H H 8 8.756 8.756 8.623 0.133 18953 1000 1 2 . 1 1 9 9 ASP N N 9 114.203 114.203 119.141 -4.938 18953 1001 1 2 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.690 0.532 18953 1002 1 2 . 1 1 9 9 ASP CA C 9 52.366 52.366 52.969 -0.603 18953 1003 1 2 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.056 1.380 18953 1004 1 2 . 1 1 9 9 ASP H H 9 7.977 7.977 8.250 -0.273 18953 1005 1 2 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.662 -1.543 18953 1006 1 2 . 1 1 11 11 ASN CA C 11 56.660 56.660 52.518 4.142 18953 1007 1 2 . 1 1 11 11 ASN CB C 11 35.050 35.050 36.610 -1.560 18953 1008 1 2 . 1 1 13 13 GLY C C 13 178.281 178.281 172.865 5.416 18953 1009 1 2 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.909 -0.463 18953 1010 1 2 . 1 1 14 14 GLY N N 14 105.348 105.348 106.888 -1.540 18953 1011 1 2 . 1 1 14 14 GLY C C 14 176.463 176.463 173.966 2.497 18953 1012 1 2 . 1 1 14 14 GLY CA C 14 45.111 45.111 44.841 0.270 18953 1013 1 2 . 1 1 14 14 GLY H H 14 8.261 8.261 8.273 -0.012 18953 1014 1 2 . 1 1 15 15 ARG N N 15 119.637 119.637 125.186 -5.549 18953 1015 1 2 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.376 -0.165 18953 1016 1 2 . 1 1 15 15 ARG C C 15 176.574 176.574 176.201 0.373 18953 1017 1 2 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.134 1.198 18953 1018 1 2 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.443 0.969 18953 1019 1 2 . 1 1 15 15 ARG H H 15 8.579 8.579 8.304 0.275 18953 1020 1 2 . 1 1 16 16 TYR N N 16 114.846 114.846 122.607 -7.761 18953 1021 1 2 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.154 0.704 18953 1022 1 2 . 1 1 16 16 TYR C C 16 176.510 176.510 174.986 1.524 18953 1023 1 2 . 1 1 16 16 TYR CA C 16 54.613 54.613 55.075 -0.462 18953 1024 1 2 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.345 2.073 18953 1025 1 2 . 1 1 16 16 TYR H H 16 7.617 7.617 7.940 -0.323 18953 1026 1 2 . 1 1 17 17 HIS N N 17 118.443 118.443 119.184 -0.741 18953 1027 1 2 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.836 -0.026 18953 1028 1 2 . 1 1 17 17 HIS C C 17 177.970 177.970 173.812 4.158 18953 1029 1 2 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.740 -0.179 18953 1030 1 2 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.542 0.062 18953 1031 1 2 . 1 1 17 17 HIS H H 17 8.785 8.785 8.666 0.119 18953 1032 1 2 . 1 1 18 18 GLU N N 18 126.223 126.223 125.954 0.269 18953 1033 1 2 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.643 0.195 18953 1034 1 2 . 1 1 18 18 GLU C C 18 176.504 176.504 175.433 1.071 18953 1035 1 2 . 1 1 18 18 GLU CA C 18 55.099 55.099 56.351 -1.252 18953 1036 1 2 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.556 1.566 18953 1037 1 2 . 1 1 18 18 GLU H H 18 8.529 8.529 8.792 -0.263 18953 1038 1 2 . 1 1 19 19 CYS N N 19 121.383 121.383 123.068 -1.685 18953 1039 1 2 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.712 -0.055 18953 1040 1 2 . 1 1 19 19 CYS C C 19 178.018 178.018 173.819 4.199 18953 1041 1 2 . 1 1 19 19 CYS CA C 19 58.777 58.777 58.548 0.229 18953 1042 1 2 . 1 1 19 19 CYS CB C 19 29.812 29.812 31.294 -1.482 18953 1043 1 2 . 1 1 19 19 CYS H H 19 9.163 9.163 9.191 -0.028 18953 1044 1 2 . 1 1 20 20 MET N N 20 126.877 126.877 120.463 6.414 18953 1045 1 2 . 1 1 20 20 MET HA H 20 5.295 5.295 4.778 0.517 18953 1046 1 2 . 1 1 20 20 MET C C 20 176.776 176.776 174.590 2.186 18953 1047 1 2 . 1 1 20 20 MET CA C 20 55.260 55.260 55.791 -0.531 18953 1048 1 2 . 1 1 20 20 MET CB C 20 33.370 33.370 33.382 -0.012 18953 1049 1 2 . 1 1 20 20 MET H H 20 8.995 8.995 8.800 0.195 18953 1050 1 2 . 1 1 21 21 SER N N 21 179.042 179.042 115.262 63.780 18953 1051 1 2 . 1 1 21 21 SER HA H 21 4.658 4.658 4.789 -0.131 18953 1052 1 2 . 1 1 21 21 SER C C 21 179.042 179.042 173.214 5.828 18953 1053 1 2 . 1 1 21 21 SER CA C 21 57.586 57.586 57.272 0.314 18953 1054 1 2 . 1 1 21 21 SER CB C 21 65.782 65.782 66.009 -0.227 18953 1055 1 2 . 1 1 21 21 SER H H 21 7.990 7.990 7.716 0.274 18953 1056 1 2 . 1 1 22 22 ASP N N 22 117.203 117.203 119.933 -2.730 18953 1057 1 2 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.611 0.340 18953 1058 1 2 . 1 1 22 22 ASP C C 22 173.564 173.564 175.755 -2.191 18953 1059 1 2 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.765 0.706 18953 1060 1 2 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.911 0.908 18953 1061 1 2 . 1 1 22 22 ASP H H 22 8.317 8.317 8.502 -0.185 18953 1062 1 2 . 1 1 23 23 CYS N N 23 121.308 121.308 121.519 -0.211 18953 1063 1 2 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.738 0.053 18953 1064 1 2 . 1 1 23 23 CYS C C 23 177.265 177.265 174.212 3.053 18953 1065 1 2 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.819 2.144 18953 1066 1 2 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.761 -1.349 18953 1067 1 2 . 1 1 23 23 CYS H H 23 9.410 9.410 8.914 0.496 18953 1068 1 2 . 1 1 24 24 ALA N N 24 131.693 131.693 128.875 2.818 18953 1069 1 2 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.833 -0.311 18953 1070 1 2 . 1 1 24 24 ALA C C 24 175.455 175.455 175.441 0.014 18953 1071 1 2 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.526 2.088 18953 1072 1 2 . 1 1 24 24 ALA CB C 24 19.175 19.175 19.069 0.106 18953 1073 1 2 . 1 1 24 24 ALA H H 24 9.210 9.210 8.734 0.476 18953 1074 1 2 . 1 1 25 25 ASP N N 25 113.873 113.873 118.411 -4.538 18953 1075 1 2 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.885 0.010 18953 1076 1 2 . 1 1 25 25 ASP C C 25 174.970 174.970 175.334 -0.364 18953 1077 1 2 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.381 0.539 18953 1078 1 2 . 1 1 25 25 ASP CB C 25 40.564 40.564 41.309 -0.745 18953 1079 1 2 . 1 1 25 25 ASP H H 25 7.524 7.524 7.605 -0.081 18953 1080 1 2 . 1 1 26 26 LEU N N 26 127.166 127.166 125.118 2.048 18953 1081 1 2 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.102 -0.103 18953 1082 1 2 . 1 1 26 26 LEU C C 26 173.727 173.727 177.192 -3.465 18953 1083 1 2 . 1 1 26 26 LEU CA C 26 56.151 56.151 55.024 1.127 18953 1084 1 2 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.057 0.302 18953 1085 1 2 . 1 1 26 26 LEU H H 26 8.495 8.495 9.079 -0.584 18953 1086 1 2 . 1 1 27 27 HIS N N 27 118.732 118.732 119.680 -0.948 18953 1087 1 2 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.387 0.150 18953 1088 1 2 . 1 1 27 27 HIS C C 27 175.667 175.667 175.578 0.089 18953 1089 1 2 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.268 -1.475 18953 1090 1 2 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.615 -1.577 18953 1091 1 2 . 1 1 27 27 HIS H H 27 8.446 8.446 7.698 0.748 18953 1092 1 2 . 1 1 28 28 SER N N 28 112.598 112.598 112.061 0.537 18953 1093 1 2 . 1 1 28 28 SER HA H 28 3.792 3.792 4.169 -0.377 18953 1094 1 2 . 1 1 28 28 SER C C 28 177.551 177.551 174.968 2.583 18953 1095 1 2 . 1 1 28 28 SER CA C 28 60.406 60.406 60.134 0.272 18953 1096 1 2 . 1 1 28 28 SER CB C 28 62.814 62.814 63.459 -0.645 18953 1097 1 2 . 1 1 28 28 SER H H 28 7.237 7.237 7.935 -0.698 18953 1098 1 2 . 1 1 29 29 TYR N N 29 118.301 118.301 118.045 0.256 18953 1099 1 2 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.213 0.089 18953 1100 1 2 . 1 1 29 29 TYR C C 29 176.283 176.283 174.340 1.943 18953 1101 1 2 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.359 -1.691 18953 1102 1 2 . 1 1 29 29 TYR CB C 29 39.471 39.471 39.761 -0.290 18953 1103 1 2 . 1 1 29 29 TYR H H 29 7.224 7.224 7.250 -0.026 18953 1104 1 2 . 1 1 30 30 PHE N N 30 112.713 112.713 112.297 0.416 18953 1105 1 2 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.657 0.025 18953 1106 1 2 . 1 1 30 30 PHE C C 30 177.785 177.785 173.402 4.383 18953 1107 1 2 . 1 1 30 30 PHE CA C 30 55.924 55.924 56.514 -0.590 18953 1108 1 2 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.477 -0.733 18953 1109 1 2 . 1 1 30 30 PHE H H 30 7.173 7.173 7.391 -0.218 18953 1110 1 2 . 1 1 31 31 ASN N N 31 115.959 115.959 117.753 -1.794 18953 1111 1 2 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.448 0.262 18953 1112 1 2 . 1 1 31 31 ASN C C 31 176.537 176.537 174.615 1.922 18953 1113 1 2 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.053 0.498 18953 1114 1 2 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.521 0.535 18953 1115 1 2 . 1 1 31 31 ASN H H 31 8.918 8.918 8.616 0.302 18953 1116 1 2 . 1 1 32 32 ARG N N 32 117.693 117.693 117.180 0.513 18953 1117 1 2 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.739 -0.112 18953 1118 1 2 . 1 1 32 32 ARG C C 32 178.177 178.177 174.101 4.076 18953 1119 1 2 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.627 -0.471 18953 1120 1 2 . 1 1 32 32 ARG CB C 32 33.091 33.091 34.389 -1.298 18953 1121 1 2 . 1 1 32 32 ARG H H 32 7.893 7.893 7.814 0.079 18953 1122 1 2 . 1 1 33 33 CYS N N 33 119.494 119.494 120.484 -0.990 18953 1123 1 2 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.725 0.227 18953 1124 1 2 . 1 1 33 33 CYS C C 33 176.223 176.223 174.009 2.214 18953 1125 1 2 . 1 1 33 33 CYS CA C 33 58.307 58.307 58.080 0.228 18953 1126 1 2 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.889 -1.138 18953 1127 1 2 . 1 1 33 33 CYS H H 33 8.161 8.161 8.783 -0.622 18953 1128 1 2 . 1 1 34 34 HIS N N 34 126.786 126.786 124.986 1.800 18953 1129 1 2 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.427 0.595 18953 1130 1 2 . 1 1 34 34 HIS C C 34 176.224 176.224 174.253 1.971 18953 1131 1 2 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.703 -0.005 18953 1132 1 2 . 1 1 34 34 HIS CB C 34 33.309 33.309 32.058 1.251 18953 1133 1 2 . 1 1 34 34 HIS H H 34 8.325 8.325 8.553 -0.228 18953 1134 1 2 . 1 1 35 35 SER N N 35 113.132 113.132 114.179 -1.047 18953 1135 1 2 . 1 1 35 35 SER HA H 35 5.264 5.264 5.177 0.087 18953 1136 1 2 . 1 1 35 35 SER C C 35 179.093 179.093 172.606 6.487 18953 1137 1 2 . 1 1 35 35 SER CA C 35 59.951 59.951 56.756 3.195 18953 1138 1 2 . 1 1 35 35 SER CB C 35 65.754 65.754 64.812 0.942 18953 1139 1 2 . 1 1 35 35 SER H H 35 8.489 8.489 8.086 0.403 18953 1140 1 2 . 1 1 36 36 ILE N N 36 119.607 119.607 124.231 -4.624 18953 1141 1 2 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.660 0.709 18953 1142 1 2 . 1 1 36 36 ILE C C 36 176.313 176.313 173.900 2.413 18953 1143 1 2 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.129 0.365 18953 1144 1 2 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.576 3.194 18953 1145 1 2 . 1 1 36 36 ILE H H 36 8.579 8.579 8.812 -0.233 18953 1146 1 2 . 1 1 37 37 ARG N N 37 126.328 126.328 124.946 1.382 18953 1147 1 2 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.875 0.084 18953 1148 1 2 . 1 1 37 37 ARG C C 37 176.785 176.785 174.105 2.680 18953 1149 1 2 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.290 0.824 18953 1150 1 2 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.898 0.436 18953 1151 1 2 . 1 1 37 37 ARG H H 37 9.342 9.342 8.915 0.427 18953 1152 1 2 . 1 1 38 38 VAL N N 38 125.466 125.466 127.920 -2.454 18953 1153 1 2 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.567 -0.243 18953 1154 1 2 . 1 1 38 38 VAL C C 38 175.196 175.196 175.872 -0.676 18953 1155 1 2 . 1 1 38 38 VAL CA C 38 62.436 62.436 61.902 0.534 18953 1156 1 2 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.541 -0.868 18953 1157 1 2 . 1 1 38 38 VAL H H 38 9.122 9.122 9.052 0.070 18953 1158 1 2 . 1 1 39 39 GLU N N 39 128.582 128.582 128.901 -0.319 18953 1159 1 2 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.247 -0.163 18953 1160 1 2 . 1 1 39 39 GLU C C 39 175.200 175.200 176.240 -1.040 18953 1161 1 2 . 1 1 39 39 GLU CA C 39 58.498 58.498 57.866 0.632 18953 1162 1 2 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.788 1.042 18953 1163 1 2 . 1 1 39 39 GLU H H 39 8.258 8.258 8.649 -0.391 18953 1164 1 2 . 1 1 40 40 SER N N 40 108.412 108.412 110.571 -2.159 18953 1165 1 2 . 1 1 40 40 SER HA H 40 4.343 4.343 4.478 -0.135 18953 1166 1 2 . 1 1 40 40 SER C C 40 178.000 178.000 172.983 5.017 18953 1167 1 2 . 1 1 40 40 SER CA C 40 57.623 57.623 58.118 -0.495 18953 1168 1 2 . 1 1 40 40 SER CB C 40 64.539 64.539 64.140 0.399 18953 1169 1 2 . 1 1 40 40 SER H H 40 7.753 7.753 7.370 0.383 18953 1170 1 2 . 1 1 41 41 GLY N N 41 109.451 109.451 111.825 -2.374 18953 1171 1 2 . 1 1 41 41 GLY C C 41 179.855 179.855 172.547 7.308 18953 1172 1 2 . 1 1 41 41 GLY CA C 41 44.884 44.884 44.645 0.239 18953 1173 1 2 . 1 1 41 41 GLY H H 41 8.714 8.714 8.373 0.341 18953 1174 1 2 . 1 1 42 42 CYS N N 42 112.295 112.295 119.018 -6.723 18953 1175 1 2 . 1 1 42 42 CYS HA H 42 4.934 4.934 4.970 -0.036 18953 1176 1 2 . 1 1 42 42 CYS C C 42 178.663 178.663 173.698 4.965 18953 1177 1 2 . 1 1 42 42 CYS CA C 42 56.877 56.877 58.157 -1.280 18953 1178 1 2 . 1 1 42 42 CYS CB C 42 31.679 31.679 31.668 0.011 18953 1179 1 2 . 1 1 42 42 CYS H H 42 7.794 7.794 8.522 -0.728 18953 1180 1 2 . 1 1 43 43 PHE N N 43 118.841 118.841 122.402 -3.561 18953 1181 1 2 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.750 0.374 18953 1182 1 2 . 1 1 43 43 PHE C C 43 178.045 178.045 172.836 5.209 18953 1183 1 2 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.201 -0.711 18953 1184 1 2 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.729 1.228 18953 1185 1 2 . 1 1 43 43 PHE H H 43 8.509 8.509 8.570 -0.061 18953 1186 1 2 . 1 1 44 44 MET N N 44 119.494 119.494 126.323 -6.829 18953 1187 1 2 . 1 1 44 44 MET HA H 44 5.442 5.442 5.012 0.430 18953 1188 1 2 . 1 1 44 44 MET C C 44 174.336 174.336 173.867 0.469 18953 1189 1 2 . 1 1 44 44 MET CA C 44 52.992 52.992 53.786 -0.794 18953 1190 1 2 . 1 1 44 44 MET CB C 44 33.835 33.835 35.619 -1.784 18953 1191 1 2 . 1 1 44 44 MET H H 44 9.110 9.110 8.126 0.984 18953 1192 1 2 . 1 1 45 45 VAL N N 45 117.666 117.666 122.527 -4.861 18953 1193 1 2 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.776 0.611 18953 1194 1 2 . 1 1 45 45 VAL C C 45 177.844 177.844 173.624 4.220 18953 1195 1 2 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.810 -0.177 18953 1196 1 2 . 1 1 45 45 VAL CB C 45 34.280 34.280 34.179 0.101 18953 1197 1 2 . 1 1 45 45 VAL H H 45 9.345 9.345 8.725 0.620 18953 1198 1 2 . 1 1 46 46 TYR N N 46 117.876 117.876 123.948 -6.072 18953 1199 1 2 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.221 0.784 18953 1200 1 2 . 1 1 46 46 TYR C C 46 173.152 173.152 175.559 -2.407 18953 1201 1 2 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.493 -0.810 18953 1202 1 2 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.127 -1.102 18953 1203 1 2 . 1 1 46 46 TYR H H 46 8.145 8.145 9.320 -1.175 18953 1204 1 2 . 1 1 47 47 ASP N N 47 119.783 119.783 122.135 -2.352 18953 1205 1 2 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.711 0.174 18953 1206 1 2 . 1 1 47 47 ASP C C 47 176.040 176.040 175.782 0.258 18953 1207 1 2 . 1 1 47 47 ASP CA C 47 53.826 53.826 54.597 -0.771 18953 1208 1 2 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.694 -0.627 18953 1209 1 2 . 1 1 47 47 ASP H H 47 8.690 8.690 8.708 -0.018 18953 1210 1 2 . 1 1 48 48 ARG N N 48 116.008 116.008 116.818 -0.810 18953 1211 1 2 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.715 0.023 18953 1212 1 2 . 1 1 48 48 ARG C C 48 175.495 175.495 175.385 0.110 18953 1213 1 2 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.539 -0.194 18953 1214 1 2 . 1 1 48 48 ARG CB C 48 34.662 34.662 34.657 0.005 18953 1215 1 2 . 1 1 48 48 ARG H H 48 7.627 7.627 8.021 -0.394 18953 1216 1 2 . 1 1 49 49 THR N N 49 110.526 110.526 114.367 -3.841 18953 1217 1 2 . 1 1 49 49 THR HA H 49 3.790 3.790 4.080 -0.290 18953 1218 1 2 . 1 1 49 49 THR C C 49 176.951 176.951 175.273 1.678 18953 1219 1 2 . 1 1 49 49 THR CA C 49 62.112 62.112 62.840 -0.728 18953 1220 1 2 . 1 1 49 49 THR CB C 49 70.189 70.189 69.075 1.114 18953 1221 1 2 . 1 1 49 49 THR H H 49 8.173 8.173 8.329 -0.156 18953 1222 1 2 . 1 1 50 50 ASN N N 50 112.515 112.515 120.495 -7.980 18953 1223 1 2 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.545 -0.296 18953 1224 1 2 . 1 1 50 50 ASN C C 50 178.172 178.172 173.438 4.734 18953 1225 1 2 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.164 1.213 18953 1226 1 2 . 1 1 50 50 ASN CB C 50 36.907 36.907 37.389 -0.482 18953 1227 1 2 . 1 1 50 50 ASN H H 50 9.654 9.654 8.032 1.622 18953 1228 1 2 . 1 1 51 51 PHE N N 51 110.557 110.557 109.952 0.605 18953 1229 1 2 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.612 0.038 18953 1230 1 2 . 1 1 51 51 PHE C C 51 176.292 176.292 174.033 2.259 18953 1231 1 2 . 1 1 51 51 PHE CA C 51 55.668 55.668 57.647 -1.979 18953 1232 1 2 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.112 0.820 18953 1233 1 2 . 1 1 51 51 PHE H H 51 7.568 7.568 7.413 0.155 18953 1234 1 2 . 1 1 52 52 MET N N 52 117.547 117.547 116.671 0.876 18953 1235 1 2 . 1 1 52 52 MET HA H 52 4.859 4.859 5.051 -0.192 18953 1236 1 2 . 1 1 52 52 MET C C 52 177.399 177.399 175.656 1.743 18953 1237 1 2 . 1 1 52 52 MET CA C 52 53.946 53.946 53.836 0.110 18953 1238 1 2 . 1 1 52 52 MET CB C 52 35.335 35.335 36.657 -1.322 18953 1239 1 2 . 1 1 52 52 MET H H 52 6.355 6.355 7.471 -1.116 18953 1240 1 2 . 1 1 53 53 GLY N N 53 103.445 103.445 106.994 -3.549 18953 1241 1 2 . 1 1 53 53 GLY C C 53 175.327 175.327 174.233 1.094 18953 1242 1 2 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.715 -0.132 18953 1243 1 2 . 1 1 53 53 GLY H H 53 8.256 8.256 8.558 -0.302 18953 1244 1 2 . 1 1 54 54 ARG N N 54 124.195 124.195 122.718 1.477 18953 1245 1 2 . 1 1 54 54 ARG HA H 54 4.162 4.162 3.930 0.232 18953 1246 1 2 . 1 1 54 54 ARG C C 54 177.235 177.235 175.916 1.319 18953 1247 1 2 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.453 -0.253 18953 1248 1 2 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.293 0.922 18953 1249 1 2 . 1 1 54 54 ARG H H 54 9.034 9.034 8.560 0.474 18953 1250 1 2 . 1 1 55 55 GLN N N 55 118.867 118.867 122.575 -3.708 18953 1251 1 2 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.659 0.360 18953 1252 1 2 . 1 1 55 55 GLN C C 55 176.166 176.166 174.836 1.330 18953 1253 1 2 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.541 -1.427 18953 1254 1 2 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.332 1.139 18953 1255 1 2 . 1 1 55 55 GLN H H 55 7.657 7.657 8.305 -0.648 18953 1256 1 2 . 1 1 56 56 TYR N N 56 117.323 117.323 122.213 -4.890 18953 1257 1 2 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.691 -0.241 18953 1258 1 2 . 1 1 56 56 TYR C C 56 177.276 177.276 174.106 3.170 18953 1259 1 2 . 1 1 56 56 TYR CA C 56 57.213 57.213 56.811 0.402 18953 1260 1 2 . 1 1 56 56 TYR CB C 56 41.560 41.560 41.940 -0.380 18953 1261 1 2 . 1 1 56 56 TYR H H 56 8.704 8.704 8.813 -0.109 18953 1262 1 2 . 1 1 57 57 PHE N N 57 125.557 125.557 124.712 0.845 18953 1263 1 2 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.831 0.386 18953 1264 1 2 . 1 1 57 57 PHE C C 57 176.412 176.412 174.138 2.274 18953 1265 1 2 . 1 1 57 57 PHE CA C 57 58.371 58.371 57.224 1.147 18953 1266 1 2 . 1 1 57 57 PHE CB C 57 40.989 40.989 40.291 0.698 18953 1267 1 2 . 1 1 57 57 PHE H H 57 8.600 8.600 9.005 -0.405 18953 1268 1 2 . 1 1 58 58 LEU N N 58 129.141 129.141 129.592 -0.451 18953 1269 1 2 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.561 -0.206 18953 1270 1 2 . 1 1 58 58 LEU C C 58 177.356 177.356 174.955 2.401 18953 1271 1 2 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.344 0.506 18953 1272 1 2 . 1 1 58 58 LEU CB C 58 44.886 44.886 43.437 1.449 18953 1273 1 2 . 1 1 58 58 LEU H H 58 8.969 8.969 8.500 0.469 18953 1274 1 2 . 1 1 59 59 ARG N N 59 118.569 118.569 123.563 -4.994 18953 1275 1 2 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.431 0.132 18953 1276 1 2 . 1 1 59 59 ARG C C 59 175.341 175.341 175.970 -0.629 18953 1277 1 2 . 1 1 59 59 ARG CA C 59 53.734 53.734 54.446 -0.712 18953 1278 1 2 . 1 1 59 59 ARG CB C 59 32.396 32.396 33.194 -0.798 18953 1279 1 2 . 1 1 59 59 ARG H H 59 7.107 7.107 8.156 -1.049 18953 1280 1 2 . 1 1 60 60 ARG N N 60 121.635 121.635 123.018 -1.383 18953 1281 1 2 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.938 0.027 18953 1282 1 2 . 1 1 60 60 ARG C C 60 175.525 175.525 175.264 0.261 18953 1283 1 2 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.892 0.061 18953 1284 1 2 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.595 1.295 18953 1285 1 2 . 1 1 60 60 ARG H H 60 8.258 8.258 8.063 0.195 18953 1286 1 2 . 1 1 61 61 GLY N N 61 112.955 112.955 114.142 -1.187 18953 1287 1 2 . 1 1 61 61 GLY C C 61 180.518 180.518 171.285 9.233 18953 1288 1 2 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.683 -0.005 18953 1289 1 2 . 1 1 61 61 GLY H H 61 8.706 8.706 7.937 0.769 18953 1290 1 2 . 1 1 62 62 GLU N N 62 117.563 117.563 119.348 -1.785 18953 1291 1 2 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.560 -0.011 18953 1292 1 2 . 1 1 62 62 GLU C C 62 176.249 176.249 175.152 1.097 18953 1293 1 2 . 1 1 62 62 GLU CA C 62 55.813 55.813 54.525 1.288 18953 1294 1 2 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.498 1.346 18953 1295 1 2 . 1 1 62 62 GLU H H 62 8.161 8.161 8.258 -0.097 18953 1296 1 2 . 1 1 63 63 TYR N N 63 119.057 119.057 125.662 -6.605 18953 1297 1 2 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.936 0.240 18953 1298 1 2 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.144 -0.871 18953 1299 1 2 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.334 -1.286 18953 1300 1 2 . 1 1 63 63 TYR H H 63 8.827 8.827 8.926 -0.099 18953 1301 1 2 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.077 -0.393 18953 1302 1 2 . 1 1 64 64 PRO CA C 64 64.970 64.970 64.064 0.906 18953 1303 1 2 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.435 -0.300 18953 1304 1 2 . 1 1 65 65 ASP N N 65 118.810 118.810 114.898 3.912 18953 1305 1 2 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.187 -0.140 18953 1306 1 2 . 1 1 65 65 ASP C C 65 174.175 174.175 175.096 -0.921 18953 1307 1 2 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.677 -0.103 18953 1308 1 2 . 1 1 65 65 ASP CB C 65 39.805 39.805 43.934 -4.128 18953 1309 1 2 . 1 1 65 65 ASP H H 65 8.600 8.600 7.650 0.950 18953 1310 1 2 . 1 1 66 66 TYR N N 66 119.662 119.662 116.444 3.218 18953 1311 1 2 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.832 -0.431 18953 1312 1 2 . 1 1 66 66 TYR C C 66 175.431 175.431 175.473 -0.042 18953 1313 1 2 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.834 3.139 18953 1314 1 2 . 1 1 66 66 TYR CB C 66 38.024 38.024 40.443 -2.419 18953 1315 1 2 . 1 1 66 66 TYR H H 66 6.530 6.530 7.965 -1.435 18953 1316 1 2 . 1 1 67 67 MET N N 67 121.502 121.502 119.802 1.700 18953 1317 1 2 . 1 1 67 67 MET HA H 67 3.626 3.626 3.979 -0.353 18953 1318 1 2 . 1 1 67 67 MET C C 67 172.742 172.742 177.660 -4.918 18953 1319 1 2 . 1 1 67 67 MET CA C 67 59.998 59.998 59.133 0.865 18953 1320 1 2 . 1 1 67 67 MET CB C 67 32.064 32.064 32.458 -0.394 18953 1321 1 2 . 1 1 67 67 MET H H 67 8.299 8.299 7.821 0.478 18953 1322 1 2 . 1 1 68 68 ARG N N 68 116.824 116.824 116.797 0.027 18953 1323 1 2 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.399 -0.244 18953 1324 1 2 . 1 1 68 68 ARG C C 68 171.982 171.982 177.375 -5.393 18953 1325 1 2 . 1 1 68 68 ARG CA C 68 58.600 58.600 57.905 0.695 18953 1326 1 2 . 1 1 68 68 ARG CB C 68 31.056 31.056 29.817 1.240 18953 1327 1 2 . 1 1 68 68 ARG H H 68 6.919 6.919 8.258 -1.339 18953 1328 1 2 . 1 1 69 69 THR N N 69 111.292 111.292 114.333 -3.041 18953 1329 1 2 . 1 1 69 69 THR HA H 69 4.101 4.101 4.218 -0.117 18953 1330 1 2 . 1 1 69 69 THR C C 69 174.584 174.584 174.678 -0.094 18953 1331 1 2 . 1 1 69 69 THR CA C 69 65.512 65.512 64.282 1.230 18953 1332 1 2 . 1 1 69 69 THR CB C 69 68.821 68.821 69.134 -0.313 18953 1333 1 2 . 1 1 69 69 THR H H 69 8.020 8.020 8.054 -0.034 18953 1334 1 2 . 1 1 70 70 MET N N 70 117.481 117.481 117.249 0.232 18953 1335 1 2 . 1 1 70 70 MET HA H 70 4.496 4.496 4.615 -0.119 18953 1336 1 2 . 1 1 70 70 MET C C 70 175.015 175.015 176.720 -1.705 18953 1337 1 2 . 1 1 70 70 MET CA C 70 56.029 56.029 54.044 1.985 18953 1338 1 2 . 1 1 70 70 MET CB C 70 33.013 33.013 33.832 -0.819 18953 1339 1 2 . 1 1 70 70 MET H H 70 8.315 8.315 7.542 0.773 18953 1340 1 2 . 1 1 71 71 GLY N N 71 108.537 108.537 108.592 -0.055 18953 1341 1 2 . 1 1 71 71 GLY C C 71 176.534 176.534 173.557 2.977 18953 1342 1 2 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.399 1.810 18953 1343 1 2 . 1 1 71 71 GLY H H 71 7.352 7.352 7.845 -0.493 18953 1344 1 2 . 1 1 72 72 MET N N 72 118.363 118.363 118.098 0.265 18953 1345 1 2 . 1 1 72 72 MET HA H 72 4.375 4.375 4.795 -0.420 18953 1346 1 2 . 1 1 72 72 MET C C 72 176.034 176.034 175.281 0.753 18953 1347 1 2 . 1 1 72 72 MET CA C 72 55.884 55.884 54.242 1.642 18953 1348 1 2 . 1 1 72 72 MET CB C 72 35.756 35.756 35.369 0.387 18953 1349 1 2 . 1 1 72 72 MET H H 72 7.888 7.888 7.484 0.404 18953 1350 1 2 . 1 1 73 73 ASN N N 73 119.052 119.052 119.190 -0.138 18953 1351 1 2 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.842 -0.121 18953 1352 1 2 . 1 1 73 73 ASN C C 73 177.307 177.307 173.627 3.680 18953 1353 1 2 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.560 1.306 18953 1354 1 2 . 1 1 73 73 ASN CB C 73 39.872 39.872 37.975 1.897 18953 1355 1 2 . 1 1 73 73 ASN H H 73 8.956 8.956 8.670 0.286 18953 1356 1 2 . 1 1 74 74 ASP N N 74 118.536 118.536 116.678 1.858 18953 1357 1 2 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.569 0.307 18953 1358 1 2 . 1 1 74 74 ASP C C 74 177.595 177.595 174.552 3.043 18953 1359 1 2 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.767 -1.221 18953 1360 1 2 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.165 2.878 18953 1361 1 2 . 1 1 74 74 ASP H H 74 7.831 7.831 7.558 0.273 18953 1362 1 2 . 1 1 75 75 CYS N N 75 116.378 116.378 117.110 -0.732 18953 1363 1 2 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.249 -0.588 18953 1364 1 2 . 1 1 75 75 CYS C C 75 177.301 177.301 175.915 1.386 18953 1365 1 2 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.457 1.615 18953 1366 1 2 . 1 1 75 75 CYS CB C 75 29.613 29.613 30.415 -0.802 18953 1367 1 2 . 1 1 75 75 CYS H H 75 8.527 8.527 8.416 0.111 18953 1368 1 2 . 1 1 76 76 VAL N N 76 116.516 116.516 119.530 -3.014 18953 1369 1 2 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.047 -0.137 18953 1370 1 2 . 1 1 76 76 VAL C C 76 175.906 175.906 175.930 -0.024 18953 1371 1 2 . 1 1 76 76 VAL CA C 76 63.823 63.823 64.130 -0.307 18953 1372 1 2 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.187 0.518 18953 1373 1 2 . 1 1 76 76 VAL H H 76 7.296 7.296 8.363 -1.067 18953 1374 1 2 . 1 1 77 77 ARG N N 77 120.435 120.435 123.397 -2.962 18953 1375 1 2 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.519 -0.139 18953 1376 1 2 . 1 1 77 77 ARG C C 77 175.519 175.519 176.085 -0.566 18953 1377 1 2 . 1 1 77 77 ARG CA C 77 55.408 55.408 55.955 -0.547 18953 1378 1 2 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.653 1.559 18953 1379 1 2 . 1 1 77 77 ARG H H 77 8.923 8.923 8.884 0.039 18953 1380 1 2 . 1 1 78 78 SER N N 78 110.315 110.315 113.077 -2.762 18953 1381 1 2 . 1 1 78 78 SER HA H 78 4.533 4.533 5.268 -0.735 18953 1382 1 2 . 1 1 78 78 SER C C 78 177.603 177.603 172.441 5.162 18953 1383 1 2 . 1 1 78 78 SER CA C 78 59.512 59.512 56.576 2.936 18953 1384 1 2 . 1 1 78 78 SER CB C 78 65.883 65.883 65.671 0.212 18953 1385 1 2 . 1 1 78 78 SER H H 78 8.100 8.100 8.065 0.035 18953 1386 1 2 . 1 1 79 79 CYS N N 79 112.901 112.901 115.708 -2.807 18953 1387 1 2 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.379 0.938 18953 1388 1 2 . 1 1 79 79 CYS C C 79 179.601 179.601 172.544 7.057 18953 1389 1 2 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.745 -1.266 18953 1390 1 2 . 1 1 79 79 CYS CB C 79 32.350 32.350 31.995 0.355 18953 1391 1 2 . 1 1 79 79 CYS H H 79 9.438 9.438 9.268 0.170 18953 1392 1 2 . 1 1 80 80 ARG N N 80 122.877 122.877 121.225 1.652 18953 1393 1 2 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.711 0.316 18953 1394 1 2 . 1 1 80 80 ARG C C 80 176.888 176.888 173.742 3.146 18953 1395 1 2 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.682 0.004 18953 1396 1 2 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.706 -0.020 18953 1397 1 2 . 1 1 80 80 ARG H H 80 10.005 10.005 8.766 1.239 18953 1398 1 2 . 1 1 81 81 MET N N 81 125.699 125.699 122.903 2.796 18953 1399 1 2 . 1 1 81 81 MET HA H 81 3.494 3.494 4.526 -1.032 18953 1400 1 2 . 1 1 81 81 MET C C 81 176.369 176.369 175.465 0.904 18953 1401 1 2 . 1 1 81 81 MET CA C 81 55.587 55.587 54.025 1.562 18953 1402 1 2 . 1 1 81 81 MET CB C 81 34.241 34.241 34.320 -0.079 18953 1403 1 2 . 1 1 81 81 MET H H 81 9.198 9.198 8.475 0.723 18953 1404 1 2 . 1 1 82 82 ILE N N 82 131.119 131.119 128.719 2.400 18953 1405 1 2 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.266 -0.232 18953 1406 1 2 . 1 1 82 82 ILE CA C 82 58.850 58.850 59.056 -0.206 18953 1407 1 2 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.391 0.802 18953 1408 1 2 . 1 1 82 82 ILE H H 82 7.744 7.744 8.693 -0.949 18953 1409 1 2 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.545 -0.344 18953 1410 1 2 . 1 1 83 83 PRO C C 83 176.434 176.434 176.423 0.011 18953 1411 1 2 . 1 1 83 83 PRO CA C 83 62.426 62.426 62.048 0.378 18953 1412 1 2 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.473 -0.079 18953 1413 1 2 . 1 1 84 84 LEU N N 84 120.509 120.509 121.305 -0.796 18953 1414 1 2 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.512 -0.272 18953 1415 1 2 . 1 1 84 84 LEU C C 84 174.899 174.899 176.692 -1.793 18953 1416 1 2 . 1 1 84 84 LEU CA C 84 54.527 54.527 53.877 0.650 18953 1417 1 2 . 1 1 84 84 LEU CB C 84 41.560 41.560 39.827 1.734 18953 1418 1 2 . 1 1 84 84 LEU H H 84 7.873 7.873 8.375 -0.502 18953 1419 1 2 . 1 1 85 85 HIS N N 85 125.245 125.245 119.773 5.472 18953 1420 1 2 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.187 0.397 18953 1421 1 2 . 1 1 85 85 HIS CA C 85 56.167 56.167 56.409 -0.242 18953 1422 1 2 . 1 1 85 85 HIS CB C 85 32.644 32.644 29.539 3.105 18953 1423 1 2 . 1 1 85 85 HIS H H 85 8.600 8.600 8.255 0.345 18953 1424 1 2 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.965 -0.204 18953 1425 1 2 . 1 1 86 86 HIS C C 86 177.250 177.250 173.918 3.332 18953 1426 1 2 . 1 1 86 86 HIS CA C 86 54.709 54.709 55.070 -0.361 18953 1427 1 2 . 1 1 86 86 HIS CB C 86 29.670 29.670 29.310 0.360 18953 1428 1 2 . 1 1 86 86 HIS H H 86 8.500 8.500 9.145 -0.645 18953 1429 1 2 . 1 1 87 87 GLY N N 87 107.909 107.909 109.957 -2.048 18953 1430 1 2 . 1 1 87 87 GLY C C 87 178.627 178.627 172.889 5.738 18953 1431 1 2 . 1 1 87 87 GLY CA C 87 44.861 44.861 45.026 -0.166 18953 1432 1 2 . 1 1 87 87 GLY H H 87 6.662 6.662 8.576 -1.914 18953 1433 1 2 . 1 1 88 88 SER N N 88 116.742 116.742 114.529 2.213 18953 1434 1 2 . 1 1 88 88 SER HA H 88 4.528 4.528 4.742 -0.214 18953 1435 1 2 . 1 1 88 88 SER C C 88 178.527 178.527 172.647 5.880 18953 1436 1 2 . 1 1 88 88 SER CA C 88 58.279 58.279 57.575 0.704 18953 1437 1 2 . 1 1 88 88 SER CB C 88 64.360 64.360 65.101 -0.741 18953 1438 1 2 . 1 1 88 88 SER H H 88 8.235 8.235 8.154 0.081 18953 1439 1 2 . 1 1 89 89 PHE N N 89 119.985 119.985 119.676 0.309 18953 1440 1 2 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.287 -0.719 18953 1441 1 2 . 1 1 89 89 PHE C C 89 176.551 176.551 175.680 0.871 18953 1442 1 2 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.369 -0.634 18953 1443 1 2 . 1 1 89 89 PHE CB C 89 41.321 41.321 40.886 0.435 18953 1444 1 2 . 1 1 89 89 PHE H H 89 8.478 8.478 8.672 -0.194 18953 1445 1 2 . 1 1 90 90 LYS N N 90 122.179 122.179 127.126 -4.947 18953 1446 1 2 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.851 0.305 18953 1447 1 2 . 1 1 90 90 LYS C C 90 177.501 177.501 173.649 3.852 18953 1448 1 2 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.520 1.292 18953 1449 1 2 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.525 -0.824 18953 1450 1 2 . 1 1 90 90 LYS H H 90 9.130 9.130 8.592 0.538 18953 1451 1 2 . 1 1 91 91 MET N N 91 127.037 127.037 126.121 0.916 18953 1452 1 2 . 1 1 91 91 MET HA H 91 4.835 4.835 4.892 -0.057 18953 1453 1 2 . 1 1 91 91 MET C C 91 179.276 179.276 173.891 5.385 18953 1454 1 2 . 1 1 91 91 MET CA C 91 54.527 54.527 53.625 0.902 18953 1455 1 2 . 1 1 91 91 MET CB C 91 36.920 36.920 36.416 0.504 18953 1456 1 2 . 1 1 91 91 MET H H 91 9.202 9.202 8.835 0.367 18953 1457 1 2 . 1 1 92 92 ARG N N 92 121.520 121.520 125.985 -4.465 18953 1458 1 2 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.529 0.339 18953 1459 1 2 . 1 1 92 92 ARG C C 92 177.432 177.432 174.908 2.524 18953 1460 1 2 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.218 -0.220 18953 1461 1 2 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.524 2.961 18953 1462 1 2 . 1 1 92 92 ARG H H 92 8.776 8.776 9.002 -0.226 18953 1463 1 2 . 1 1 93 93 LEU N N 93 124.749 124.749 124.628 0.121 18953 1464 1 2 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.448 -0.173 18953 1465 1 2 . 1 1 93 93 LEU C C 93 176.662 176.662 175.539 1.123 18953 1466 1 2 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.760 -0.064 18953 1467 1 2 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.390 0.500 18953 1468 1 2 . 1 1 93 93 LEU H H 93 8.841 8.841 8.729 0.112 18953 1469 1 2 . 1 1 94 94 TYR N N 94 116.673 116.673 120.997 -4.324 18953 1470 1 2 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.974 0.450 18953 1471 1 2 . 1 1 94 94 TYR C C 94 175.232 175.232 175.596 -0.364 18953 1472 1 2 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.080 -0.019 18953 1473 1 2 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.493 -1.130 18953 1474 1 2 . 1 1 94 94 TYR H H 94 8.161 8.161 8.879 -0.718 18953 1475 1 2 . 1 1 95 95 GLU N N 95 121.556 121.556 123.571 -2.015 18953 1476 1 2 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.178 -0.144 18953 1477 1 2 . 1 1 95 95 GLU C C 95 174.587 174.587 176.403 -1.816 18953 1478 1 2 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.425 0.535 18953 1479 1 2 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.218 3.306 18953 1480 1 2 . 1 1 95 95 GLU H H 95 8.537 8.537 8.563 -0.026 18953 1481 1 2 . 1 1 96 96 HIS N N 96 113.214 113.214 116.726 -3.512 18953 1482 1 2 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.828 0.478 18953 1483 1 2 . 1 1 96 96 HIS C C 96 175.830 175.830 175.819 0.011 18953 1484 1 2 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.863 -0.717 18953 1485 1 2 . 1 1 96 96 HIS CB C 96 33.364 33.364 31.902 1.462 18953 1486 1 2 . 1 1 96 96 HIS H H 96 8.154 8.154 7.686 0.468 18953 1487 1 2 . 1 1 97 97 SER N N 97 115.997 115.997 115.514 0.483 18953 1488 1 2 . 1 1 97 97 SER HA H 97 4.196 4.196 4.691 -0.495 18953 1489 1 2 . 1 1 97 97 SER C C 97 177.588 177.588 175.362 2.226 18953 1490 1 2 . 1 1 97 97 SER CA C 97 59.180 59.180 59.035 0.145 18953 1491 1 2 . 1 1 97 97 SER CB C 97 63.740 63.740 63.721 0.019 18953 1492 1 2 . 1 1 97 97 SER H H 97 8.728 8.728 8.803 -0.075 18953 1493 1 2 . 1 1 98 98 ASP N N 98 116.560 116.560 121.871 -5.311 18953 1494 1 2 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.276 -0.311 18953 1495 1 2 . 1 1 98 98 ASP C C 98 176.991 176.991 175.451 1.540 18953 1496 1 2 . 1 1 98 98 ASP CA C 98 56.873 56.873 56.988 -0.115 18953 1497 1 2 . 1 1 98 98 ASP CB C 98 39.514 39.514 40.072 -0.558 18953 1498 1 2 . 1 1 98 98 ASP H H 98 9.714 9.714 8.682 1.032 18953 1499 1 2 . 1 1 99 99 MET N N 99 112.109 112.109 119.136 -7.027 18953 1500 1 2 . 1 1 99 99 MET HA H 99 2.689 2.689 4.041 -1.352 18953 1501 1 2 . 1 1 99 99 MET C C 99 176.133 176.133 174.810 1.323 18953 1502 1 2 . 1 1 99 99 MET CA C 99 56.596 56.596 53.599 2.997 18953 1503 1 2 . 1 1 99 99 MET CB C 99 27.203 27.203 32.593 -5.391 18953 1504 1 2 . 1 1 99 99 MET H H 99 8.425 8.425 7.951 0.474 18953 1505 1 2 . 1 1 100 100 GLY N N 100 104.572 104.572 107.060 -2.488 18953 1506 1 2 . 1 1 100 100 GLY C C 100 177.855 177.855 174.451 3.404 18953 1507 1 2 . 1 1 100 100 GLY CA C 100 44.345 44.345 44.054 0.291 18953 1508 1 2 . 1 1 100 100 GLY H H 100 6.670 6.670 7.529 -0.859 18953 1509 1 2 . 1 1 101 101 GLY N N 101 105.792 105.792 107.705 -1.913 18953 1510 1 2 . 1 1 101 101 GLY C C 101 177.525 177.525 173.874 3.651 18953 1511 1 2 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.175 0.931 18953 1512 1 2 . 1 1 101 101 GLY H H 101 8.446 8.446 7.927 0.519 18953 1513 1 2 . 1 1 102 102 ARG N N 102 121.688 121.688 120.787 0.901 18953 1514 1 2 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.268 -0.270 18953 1515 1 2 . 1 1 102 102 ARG C C 102 177.803 177.803 176.270 1.533 18953 1516 1 2 . 1 1 102 102 ARG CA C 102 58.368 58.368 55.771 2.597 18953 1517 1 2 . 1 1 102 102 ARG CB C 102 31.684 31.684 31.208 0.476 18953 1518 1 2 . 1 1 102 102 ARG H H 102 8.785 8.785 8.108 0.677 18953 1519 1 2 . 1 1 103 103 MET N N 103 122.371 122.371 123.001 -0.630 18953 1520 1 2 . 1 1 103 103 MET HA H 103 4.754 4.754 4.721 0.033 18953 1521 1 2 . 1 1 103 103 MET C C 103 175.490 175.490 175.401 0.089 18953 1522 1 2 . 1 1 103 103 MET CA C 103 53.993 53.993 54.407 -0.414 18953 1523 1 2 . 1 1 103 103 MET CB C 103 34.860 34.860 33.100 1.760 18953 1524 1 2 . 1 1 103 103 MET H H 103 7.905 7.905 8.363 -0.458 18953 1525 1 2 . 1 1 104 104 MET N N 104 127.629 127.629 123.923 3.706 18953 1526 1 2 . 1 1 104 104 MET HA H 104 4.318 4.318 4.563 -0.245 18953 1527 1 2 . 1 1 104 104 MET C C 104 177.870 177.870 174.503 3.367 18953 1528 1 2 . 1 1 104 104 MET CA C 104 54.080 54.080 53.457 0.623 18953 1529 1 2 . 1 1 104 104 MET CB C 104 35.315 35.315 34.626 0.689 18953 1530 1 2 . 1 1 104 104 MET H H 104 8.796 8.796 8.291 0.505 18953 1531 1 2 . 1 1 105 105 GLU N N 105 123.753 123.753 123.016 0.737 18953 1532 1 2 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.797 0.049 18953 1533 1 2 . 1 1 105 105 GLU C C 105 176.871 176.871 175.576 1.295 18953 1534 1 2 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.591 0.097 18953 1535 1 2 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.128 2.387 18953 1536 1 2 . 1 1 105 105 GLU H H 105 8.467 8.467 8.587 -0.120 18953 1537 1 2 . 1 1 106 106 LEU N N 106 125.076 125.076 126.087 -1.011 18953 1538 1 2 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.904 -0.016 18953 1539 1 2 . 1 1 106 106 LEU C C 106 175.666 175.666 175.078 0.588 18953 1540 1 2 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.289 0.611 18953 1541 1 2 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.483 2.314 18953 1542 1 2 . 1 1 106 106 LEU H H 106 8.933 8.933 9.047 -0.114 18953 1543 1 2 . 1 1 107 107 MET N N 107 120.889 120.889 123.605 -2.716 18953 1544 1 2 . 1 1 107 107 MET HA H 107 5.152 5.152 4.983 0.169 18953 1545 1 2 . 1 1 107 107 MET C C 107 177.873 177.873 174.258 3.615 18953 1546 1 2 . 1 1 107 107 MET CA C 107 55.430 55.430 55.757 -0.327 18953 1547 1 2 . 1 1 107 107 MET CB C 107 35.107 35.107 33.850 1.257 18953 1548 1 2 . 1 1 107 107 MET H H 107 9.099 9.099 9.093 0.006 18953 1549 1 2 . 1 1 108 108 ASP N N 108 120.261 120.261 119.220 1.041 18953 1550 1 2 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.956 -0.507 18953 1551 1 2 . 1 1 108 108 ASP C C 108 178.998 178.998 174.358 4.640 18953 1552 1 2 . 1 1 108 108 ASP CA C 108 51.953 51.953 53.147 -1.194 18953 1553 1 2 . 1 1 108 108 ASP CB C 108 43.335 43.335 42.907 0.428 18953 1554 1 2 . 1 1 108 108 ASP H H 108 7.874 7.874 7.896 -0.022 18953 1555 1 2 . 1 1 109 109 ASP N N 109 115.191 115.191 119.828 -4.637 18953 1556 1 2 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.574 0.264 18953 1557 1 2 . 1 1 109 109 ASP C C 109 174.768 174.768 175.871 -1.103 18953 1558 1 2 . 1 1 109 109 ASP CA C 109 55.106 55.106 54.404 0.702 18953 1559 1 2 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.279 -0.221 18953 1560 1 2 . 1 1 109 109 ASP H H 109 8.065 8.065 8.484 -0.419 18953 1561 1 2 . 1 1 110 110 CYS N N 110 120.716 120.716 123.788 -3.072 18953 1562 1 2 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.999 0.140 18953 1563 1 2 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.495 0.322 18953 1564 1 2 . 1 1 110 110 CYS CB C 110 29.730 29.730 28.673 1.057 18953 1565 1 2 . 1 1 110 110 CYS H H 110 9.583 9.583 8.376 1.207 18953 1566 1 2 . 1 1 111 111 PRO HA H 111 3.971 3.971 4.528 -0.557 18953 1567 1 2 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.408 -0.264 18953 1568 1 2 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.657 -0.748 18953 1569 1 2 . 1 1 112 112 ASN N N 112 116.300 116.300 115.641 0.659 18953 1570 1 2 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.837 -0.062 18953 1571 1 2 . 1 1 112 112 ASN C C 112 175.948 175.948 175.375 0.573 18953 1572 1 2 . 1 1 112 112 ASN CA C 112 54.121 54.121 51.384 2.737 18953 1573 1 2 . 1 1 112 112 ASN CB C 112 38.709 38.709 38.053 0.656 18953 1574 1 2 . 1 1 112 112 ASN H H 112 7.385 7.385 7.907 -0.522 18953 1575 1 2 . 1 1 113 113 LEU N N 113 129.895 129.895 122.585 7.310 18953 1576 1 2 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.195 -0.038 18953 1577 1 2 . 1 1 113 113 LEU C C 113 173.709 173.709 178.107 -4.398 18953 1578 1 2 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.733 1.156 18953 1579 1 2 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.067 0.384 18953 1580 1 2 . 1 1 113 113 LEU H H 113 8.154 8.154 8.624 -0.470 18953 1581 1 2 . 1 1 114 114 MET N N 114 120.939 120.939 118.673 2.266 18953 1582 1 2 . 1 1 114 114 MET HA H 114 4.204 4.204 4.116 0.088 18953 1583 1 2 . 1 1 114 114 MET C C 114 171.942 171.942 177.518 -5.576 18953 1584 1 2 . 1 1 114 114 MET CA C 114 58.354 58.354 58.755 -0.401 18953 1585 1 2 . 1 1 114 114 MET CB C 114 31.118 31.118 32.164 -1.046 18953 1586 1 2 . 1 1 114 114 MET H H 114 8.421 8.421 8.246 0.175 18953 1587 1 2 . 1 1 115 115 ASP N N 115 119.204 119.204 118.204 1.000 18953 1588 1 2 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.672 -0.399 18953 1589 1 2 . 1 1 115 115 ASP C C 115 174.228 174.228 177.927 -3.699 18953 1590 1 2 . 1 1 115 115 ASP CA C 115 56.737 56.737 55.967 0.770 18953 1591 1 2 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.610 0.011 18953 1592 1 2 . 1 1 115 115 ASP H H 115 7.695 7.695 7.819 -0.124 18953 1593 1 2 . 1 1 116 116 ARG N N 116 116.937 116.937 118.923 -1.986 18953 1594 1 2 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.078 -0.020 18953 1595 1 2 . 1 1 116 116 ARG C C 116 174.084 174.084 177.544 -3.460 18953 1596 1 2 . 1 1 116 116 ARG CA C 116 57.839 57.839 57.744 0.095 18953 1597 1 2 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.587 1.512 18953 1598 1 2 . 1 1 116 116 ARG H H 116 7.118 7.118 7.361 -0.243 18953 1599 1 2 . 1 1 117 117 PHE N N 117 113.914 113.914 114.736 -0.822 18953 1600 1 2 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.743 0.382 18953 1601 1 2 . 1 1 117 117 PHE C C 117 175.681 175.681 174.228 1.453 18953 1602 1 2 . 1 1 117 117 PHE CA C 117 57.040 57.040 57.585 -0.545 18953 1603 1 2 . 1 1 117 117 PHE CB C 117 41.881 41.881 39.307 2.574 18953 1604 1 2 . 1 1 117 117 PHE H H 117 8.641 8.641 7.912 0.729 18953 1605 1 2 . 1 1 118 118 ASN N N 118 117.137 117.137 115.604 1.533 18953 1606 1 2 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.578 0.268 18953 1607 1 2 . 1 1 118 118 ASN C C 118 177.553 177.553 174.385 3.168 18953 1608 1 2 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.368 0.670 18953 1609 1 2 . 1 1 118 118 ASN CB C 118 38.049 38.049 36.681 1.368 18953 1610 1 2 . 1 1 118 118 ASN H H 118 8.478 8.478 7.849 0.629 18953 1611 1 2 . 1 1 119 119 MET N N 119 114.316 114.316 114.571 -0.255 18953 1612 1 2 . 1 1 119 119 MET HA H 119 4.386 4.386 4.833 -0.447 18953 1613 1 2 . 1 1 119 119 MET C C 119 178.321 178.321 173.810 4.511 18953 1614 1 2 . 1 1 119 119 MET CA C 119 55.950 55.950 54.928 1.022 18953 1615 1 2 . 1 1 119 119 MET CB C 119 37.233 37.233 35.054 2.179 18953 1616 1 2 . 1 1 119 119 MET H H 119 7.286 7.286 7.263 0.023 18953 1617 1 2 . 1 1 120 120 SER N N 120 111.310 111.310 114.944 -3.634 18953 1618 1 2 . 1 1 120 120 SER HA H 120 4.682 4.682 4.887 -0.205 18953 1619 1 2 . 1 1 120 120 SER C C 120 179.047 179.047 173.582 5.465 18953 1620 1 2 . 1 1 120 120 SER CA C 120 57.435 57.435 57.805 -0.370 18953 1621 1 2 . 1 1 120 120 SER CB C 120 65.594 65.594 64.923 0.671 18953 1622 1 2 . 1 1 120 120 SER H H 120 8.361 8.361 8.322 0.039 18953 1623 1 2 . 1 1 121 121 ASP N N 121 120.422 120.422 122.276 -1.854 18953 1624 1 2 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.459 -0.377 18953 1625 1 2 . 1 1 121 121 ASP C C 121 177.532 177.532 174.861 2.671 18953 1626 1 2 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.047 0.583 18953 1627 1 2 . 1 1 121 121 ASP CB C 121 43.513 43.513 41.743 1.770 18953 1628 1 2 . 1 1 121 121 ASP H H 121 6.829 6.829 7.458 -0.629 18953 1629 1 2 . 1 1 122 122 PHE N N 122 120.611 120.611 120.191 0.420 18953 1630 1 2 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.854 -0.159 18953 1631 1 2 . 1 1 122 122 PHE C C 122 177.316 177.316 175.532 1.784 18953 1632 1 2 . 1 1 122 122 PHE CA C 122 57.660 57.660 56.287 1.373 18953 1633 1 2 . 1 1 122 122 PHE CB C 122 40.871 40.871 39.754 1.117 18953 1634 1 2 . 1 1 122 122 PHE H H 122 8.376 8.376 8.293 0.083 18953 1635 1 2 . 1 1 123 123 HIS N N 123 116.193 116.193 119.180 -2.987 18953 1636 1 2 . 1 1 123 123 HIS HA H 123 4.765 4.765 5.129 -0.364 18953 1637 1 2 . 1 1 123 123 HIS C C 123 176.431 176.431 175.459 0.972 18953 1638 1 2 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.325 1.279 18953 1639 1 2 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.569 1.711 18953 1640 1 2 . 1 1 123 123 HIS H H 123 7.577 7.577 8.705 -1.128 18953 1641 1 2 . 1 1 124 124 SER N N 124 107.332 107.332 112.338 -5.006 18953 1642 1 2 . 1 1 124 124 SER HA H 124 4.698 4.698 5.089 -0.391 18953 1643 1 2 . 1 1 124 124 SER C C 124 178.179 178.179 172.579 5.600 18953 1644 1 2 . 1 1 124 124 SER CA C 124 59.556 59.556 57.769 1.787 18953 1645 1 2 . 1 1 124 124 SER CB C 124 65.667 65.667 64.922 0.745 18953 1646 1 2 . 1 1 124 124 SER H H 124 8.256 8.256 8.385 -0.129 18953 1647 1 2 . 1 1 125 125 CYS N N 125 113.874 113.874 119.463 -5.589 18953 1648 1 2 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.570 -0.019 18953 1649 1 2 . 1 1 125 125 CYS C C 125 179.655 179.655 172.754 6.901 18953 1650 1 2 . 1 1 125 125 CYS CA C 125 57.871 57.871 57.690 0.181 18953 1651 1 2 . 1 1 125 125 CYS CB C 125 30.586 30.586 31.833 -1.247 18953 1652 1 2 . 1 1 125 125 CYS H H 125 9.561 9.561 8.890 0.671 18953 1653 1 2 . 1 1 126 126 HIS N N 126 124.829 124.829 118.687 6.142 18953 1654 1 2 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.285 0.196 18953 1655 1 2 . 1 1 126 126 HIS C C 126 176.575 176.575 173.363 3.212 18953 1656 1 2 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.499 -2.192 18953 1657 1 2 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.931 1.192 18953 1658 1 2 . 1 1 126 126 HIS H H 126 9.858 9.858 9.067 0.791 18953 1659 1 2 . 1 1 127 127 VAL N N 127 128.620 128.620 125.520 3.100 18953 1660 1 2 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.330 -0.456 18953 1661 1 2 . 1 1 127 127 VAL C C 127 176.660 176.660 174.869 1.791 18953 1662 1 2 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.385 2.100 18953 1663 1 2 . 1 1 127 127 VAL CB C 127 30.999 30.999 32.837 -1.838 18953 1664 1 2 . 1 1 127 127 VAL H H 127 9.408 9.408 8.025 1.383 18953 1665 1 2 . 1 1 128 128 MET N N 128 129.466 129.466 127.583 1.883 18953 1666 1 2 . 1 1 128 128 MET HA H 128 3.930 3.930 4.517 -0.587 18953 1667 1 2 . 1 1 128 128 MET C C 128 176.093 176.093 175.971 0.122 18953 1668 1 2 . 1 1 128 128 MET CA C 128 58.109 58.109 58.264 -0.155 18953 1669 1 2 . 1 1 128 128 MET CB C 128 34.019 34.019 33.822 0.197 18953 1670 1 2 . 1 1 128 128 MET H H 128 7.906 7.906 8.609 -0.703 18953 1671 1 2 . 1 1 129 129 ASP N N 129 116.435 116.435 115.851 0.584 18953 1672 1 2 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.602 0.230 18953 1673 1 2 . 1 1 129 129 ASP C C 129 174.959 174.959 174.625 0.334 18953 1674 1 2 . 1 1 129 129 ASP CA C 129 54.180 54.180 53.968 0.212 18953 1675 1 2 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.224 2.907 18953 1676 1 2 . 1 1 129 129 ASP H H 129 8.349 8.349 7.579 0.770 18953 1677 1 2 . 1 1 130 130 GLY N N 130 113.062 113.062 108.017 5.045 18953 1678 1 2 . 1 1 130 130 GLY C C 130 183.642 183.642 171.910 11.732 18953 1679 1 2 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.210 0.262 18953 1680 1 2 . 1 1 130 130 GLY H H 130 8.479 8.479 8.280 0.199 18953 1681 1 2 . 1 1 131 131 HIS N N 131 114.389 114.389 118.883 -4.494 18953 1682 1 2 . 1 1 131 131 HIS HA H 131 5.002 5.002 5.183 -0.181 18953 1683 1 2 . 1 1 131 131 HIS C C 131 176.470 176.470 173.473 2.997 18953 1684 1 2 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.316 1.002 18953 1685 1 2 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.767 1.268 18953 1686 1 2 . 1 1 131 131 HIS H H 131 6.228 6.228 7.841 -1.613 18953 1687 1 2 . 1 1 132 132 TRP N N 132 122.333 122.333 122.453 -0.120 18953 1688 1 2 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.251 -0.116 18953 1689 1 2 . 1 1 132 132 TRP C C 132 177.557 177.557 174.874 2.683 18953 1690 1 2 . 1 1 132 132 TRP CA C 132 56.896 56.896 56.126 0.770 18953 1691 1 2 . 1 1 132 132 TRP CB C 132 33.795 33.795 32.373 1.422 18953 1692 1 2 . 1 1 132 132 TRP H H 132 8.838 8.838 9.196 -0.358 18953 1693 1 2 . 1 1 133 133 LEU N N 133 121.883 121.883 123.024 -1.141 18953 1694 1 2 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.335 -0.213 18953 1695 1 2 . 1 1 133 133 LEU C C 133 176.457 176.457 175.996 0.461 18953 1696 1 2 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.301 -0.765 18953 1697 1 2 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.795 2.775 18953 1698 1 2 . 1 1 133 133 LEU H H 133 9.403 9.403 9.149 0.254 18953 1699 1 2 . 1 1 134 134 VAL N N 134 123.013 123.013 122.469 0.544 18953 1700 1 2 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.490 0.069 18953 1701 1 2 . 1 1 134 134 VAL C C 134 177.780 177.780 174.696 3.084 18953 1702 1 2 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.255 -0.306 18953 1703 1 2 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.652 -0.563 18953 1704 1 2 . 1 1 134 134 VAL H H 134 8.948 8.948 9.215 -0.267 18953 1705 1 2 . 1 1 135 135 TYR N N 135 122.405 122.405 125.781 -3.376 18953 1706 1 2 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.827 0.713 18953 1707 1 2 . 1 1 135 135 TYR C C 135 172.456 172.456 176.034 -3.578 18953 1708 1 2 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.906 -0.909 18953 1709 1 2 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.434 -0.689 18953 1710 1 2 . 1 1 135 135 TYR H H 135 9.068 9.068 9.554 -0.486 18953 1711 1 2 . 1 1 136 136 GLU N N 136 121.335 121.335 124.497 -3.162 18953 1712 1 2 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.374 -0.271 18953 1713 1 2 . 1 1 136 136 GLU C C 136 176.022 176.022 176.703 -0.681 18953 1714 1 2 . 1 1 136 136 GLU CA C 136 59.896 59.896 58.958 0.938 18953 1715 1 2 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.497 2.430 18953 1716 1 2 . 1 1 136 136 GLU H H 136 9.360 9.360 8.402 0.958 18953 1717 1 2 . 1 1 137 137 GLN N N 137 111.530 111.530 116.559 -5.029 18953 1718 1 2 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.880 0.087 18953 1719 1 2 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.420 0.413 18953 1720 1 2 . 1 1 137 137 GLN CB C 137 29.142 29.142 30.805 -1.663 18953 1721 1 2 . 1 1 137 137 GLN H H 137 7.808 7.808 7.926 -0.118 18953 1722 1 2 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.367 -0.225 18953 1723 1 2 . 1 1 138 138 PRO C C 138 176.607 176.607 177.051 -0.444 18953 1724 1 2 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.445 -0.984 18953 1725 1 2 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.624 0.569 18953 1726 1 2 . 1 1 139 139 ASN N N 139 113.240 113.240 115.233 -1.993 18953 1727 1 2 . 1 1 139 139 ASN HA H 139 3.356 3.356 3.932 -0.576 18953 1728 1 2 . 1 1 139 139 ASN C C 139 177.996 177.996 173.120 4.876 18953 1729 1 2 . 1 1 139 139 ASN CA C 139 54.247 54.247 53.429 0.818 18953 1730 1 2 . 1 1 139 139 ASN CB C 139 36.635 36.635 36.681 -0.047 18953 1731 1 2 . 1 1 139 139 ASN H H 139 9.683 9.683 8.375 1.308 18953 1732 1 2 . 1 1 140 140 TYR N N 140 113.289 113.289 108.619 4.670 18953 1733 1 2 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.062 -0.302 18953 1734 1 2 . 1 1 140 140 TYR C C 140 176.488 176.488 174.369 2.119 18953 1735 1 2 . 1 1 140 140 TYR CA C 140 55.296 55.296 57.402 -2.106 18953 1736 1 2 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.571 -0.611 18953 1737 1 2 . 1 1 140 140 TYR H H 140 8.000 8.000 7.897 0.103 18953 1738 1 2 . 1 1 141 141 THR N N 141 108.766 108.766 111.245 -2.479 18953 1739 1 2 . 1 1 141 141 THR HA H 141 4.697 4.697 4.779 -0.083 18953 1740 1 2 . 1 1 141 141 THR C C 141 178.578 178.578 173.930 4.648 18953 1741 1 2 . 1 1 141 141 THR CA C 141 60.128 60.128 60.856 -0.728 18953 1742 1 2 . 1 1 141 141 THR CB C 141 72.848 72.848 71.737 1.111 18953 1743 1 2 . 1 1 141 141 THR H H 141 6.280 6.280 7.831 -1.551 18953 1744 1 2 . 1 1 142 142 GLY N N 142 106.121 106.121 107.269 -1.148 18953 1745 1 2 . 1 1 142 142 GLY C C 142 177.117 177.117 173.574 3.543 18953 1746 1 2 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.725 -0.558 18953 1747 1 2 . 1 1 142 142 GLY H H 142 8.285 8.285 8.274 0.011 18953 1748 1 2 . 1 1 143 143 ARG N N 143 120.212 120.212 122.980 -2.768 18953 1749 1 2 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.873 0.063 18953 1750 1 2 . 1 1 143 143 ARG C C 143 177.580 177.580 175.924 1.656 18953 1751 1 2 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.795 1.325 18953 1752 1 2 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.568 1.588 18953 1753 1 2 . 1 1 143 143 ARG H H 143 8.583 8.583 8.325 0.258 18953 1754 1 2 . 1 1 144 144 GLN N N 144 119.516 119.516 122.278 -2.762 18953 1755 1 2 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.787 0.104 18953 1756 1 2 . 1 1 144 144 GLN C C 144 176.985 176.985 174.837 2.148 18953 1757 1 2 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.699 -1.377 18953 1758 1 2 . 1 1 144 144 GLN CB C 144 32.645 32.645 29.839 2.806 18953 1759 1 2 . 1 1 144 144 GLN H H 144 7.552 7.552 7.945 -0.393 18953 1760 1 2 . 1 1 145 145 PHE N N 145 114.745 114.745 120.093 -5.348 18953 1761 1 2 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.829 -0.172 18953 1762 1 2 . 1 1 145 145 PHE C C 145 176.969 176.969 174.689 2.280 18953 1763 1 2 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.634 -0.728 18953 1764 1 2 . 1 1 145 145 PHE CB C 145 42.267 42.267 43.119 -0.852 18953 1765 1 2 . 1 1 145 145 PHE H H 145 8.696 8.696 8.789 -0.093 18953 1766 1 2 . 1 1 146 146 TYR N N 146 124.271 124.271 126.827 -2.556 18953 1767 1 2 . 1 1 146 146 TYR HA H 146 5.274 5.274 5.059 0.215 18953 1768 1 2 . 1 1 146 146 TYR C C 146 176.212 176.212 174.147 2.065 18953 1769 1 2 . 1 1 146 146 TYR CA C 146 55.740 55.740 56.078 -0.338 18953 1770 1 2 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.194 0.040 18953 1771 1 2 . 1 1 146 146 TYR H H 146 8.915 8.915 8.940 -0.025 18953 1772 1 2 . 1 1 147 147 LEU N N 147 103.207 103.207 129.831 -26.624 18953 1773 1 2 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.408 -0.017 18953 1774 1 2 . 1 1 147 147 LEU C C 147 178.198 178.198 175.721 2.477 18953 1775 1 2 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.162 0.807 18953 1776 1 2 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.414 1.730 18953 1777 1 2 . 1 1 147 147 LEU H H 147 9.229 9.229 9.177 0.052 18953 1778 1 2 . 1 1 148 148 ARG N N 148 120.815 120.815 124.436 -3.621 18953 1779 1 2 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.809 -0.230 18953 1780 1 2 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.897 0.097 18953 1781 1 2 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.174 0.082 18953 1782 1 2 . 1 1 148 148 ARG H H 148 6.955 6.955 8.917 -1.962 18953 1783 1 2 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.208 -0.022 18953 1784 1 2 . 1 1 149 149 PRO C C 149 175.154 175.154 177.176 -2.022 18953 1785 1 2 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.130 1.725 18953 1786 1 2 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.960 -0.323 18953 1787 1 2 . 1 1 150 150 GLY N N 150 111.695 111.695 108.480 3.215 18953 1788 1 2 . 1 1 150 150 GLY C C 150 179.740 179.740 171.578 8.162 18953 1789 1 2 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.234 0.379 18953 1790 1 2 . 1 1 150 150 GLY H H 150 8.965 8.965 7.587 1.378 18953 1791 1 2 . 1 1 151 151 GLU N N 151 118.822 118.822 119.496 -0.674 18953 1792 1 2 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.913 -0.590 18953 1793 1 2 . 1 1 151 151 GLU C C 151 176.078 176.078 174.814 1.264 18953 1794 1 2 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.073 1.480 18953 1795 1 2 . 1 1 151 151 GLU CB C 151 31.878 31.878 32.214 -0.336 18953 1796 1 2 . 1 1 151 151 GLU H H 151 8.403 8.403 8.183 0.220 18953 1797 1 2 . 1 1 152 152 TYR N N 152 123.055 123.055 121.778 1.277 18953 1798 1 2 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.955 -0.215 18953 1799 1 2 . 1 1 152 152 TYR C C 152 176.413 176.413 176.398 0.015 18953 1800 1 2 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.463 -0.493 18953 1801 1 2 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.634 -2.860 18953 1802 1 2 . 1 1 152 152 TYR H H 152 8.859 8.859 9.347 -0.488 18953 1803 1 2 . 1 1 153 153 ARG N N 153 124.271 124.271 117.841 6.430 18953 1804 1 2 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.626 -0.610 18953 1805 1 2 . 1 1 153 153 ARG C C 153 176.727 176.727 175.354 1.373 18953 1806 1 2 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.528 4.676 18953 1807 1 2 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.270 -1.931 18953 1808 1 2 . 1 1 153 153 ARG H H 153 8.882 8.882 9.162 -0.280 18953 1809 1 2 . 1 1 154 154 SER N N 154 111.500 111.500 113.515 -2.015 18953 1810 1 2 . 1 1 154 154 SER HA H 154 5.194 5.194 4.594 0.600 18953 1811 1 2 . 1 1 154 154 SER C C 154 176.379 176.379 173.483 2.896 18953 1812 1 2 . 1 1 154 154 SER CA C 154 56.894 56.894 56.630 0.264 18953 1813 1 2 . 1 1 154 154 SER CB C 154 66.352 66.352 64.286 2.066 18953 1814 1 2 . 1 1 154 154 SER H H 154 8.070 8.070 7.913 0.157 18953 1815 1 2 . 1 1 155 155 TYR N N 155 119.386 119.386 119.525 -0.139 18953 1816 1 2 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.355 -2.192 18953 1817 1 2 . 1 1 155 155 TYR C C 155 174.639 174.639 176.490 -1.851 18953 1818 1 2 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.241 -1.872 18953 1819 1 2 . 1 1 155 155 TYR CB C 155 38.399 38.399 36.796 1.603 18953 1820 1 2 . 1 1 155 155 TYR H H 155 7.638 7.638 7.076 0.562 18953 1821 1 2 . 1 1 156 156 ASN N N 156 119.038 119.038 116.204 2.834 18953 1822 1 2 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.412 -0.292 18953 1823 1 2 . 1 1 156 156 ASN C C 156 172.889 172.889 175.341 -2.452 18953 1824 1 2 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.897 1.699 18953 1825 1 2 . 1 1 156 156 ASN CB C 156 38.621 38.621 38.399 0.222 18953 1826 1 2 . 1 1 156 156 ASN H H 156 6.819 6.819 7.266 -0.447 18953 1827 1 2 . 1 1 157 157 ASP N N 157 118.338 118.338 121.137 -2.799 18953 1828 1 2 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.448 0.133 18953 1829 1 2 . 1 1 157 157 ASP C C 157 173.908 173.908 176.880 -2.972 18953 1830 1 2 . 1 1 157 157 ASP CA C 157 57.382 57.382 57.049 0.333 18953 1831 1 2 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.714 -0.087 18953 1832 1 2 . 1 1 157 157 ASP H H 157 7.791 7.791 7.516 0.275 18953 1833 1 2 . 1 1 158 158 TRP N N 158 114.610 114.610 119.105 -4.495 18953 1834 1 2 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.830 0.504 18953 1835 1 2 . 1 1 158 158 TRP C C 158 175.711 175.711 176.312 -0.601 18953 1836 1 2 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.306 0.763 18953 1837 1 2 . 1 1 158 158 TRP CB C 158 28.119 28.119 29.042 -0.923 18953 1838 1 2 . 1 1 158 158 TRP H H 158 7.000 7.000 6.716 0.284 18953 1839 1 2 . 1 1 159 159 GLY N N 159 108.647 108.647 108.204 0.443 18953 1840 1 2 . 1 1 159 159 GLY C C 159 175.991 175.991 174.354 1.637 18953 1841 1 2 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.352 0.379 18953 1842 1 2 . 1 1 159 159 GLY H H 159 7.588 7.588 7.735 -0.147 18953 1843 1 2 . 1 1 160 160 GLY N N 160 107.348 107.348 106.151 1.197 18953 1844 1 2 . 1 1 160 160 GLY C C 160 178.604 178.604 172.624 5.980 18953 1845 1 2 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.363 1.993 18953 1846 1 2 . 1 1 160 160 GLY H H 160 7.326 7.326 7.813 -0.487 18953 1847 1 2 . 1 1 161 161 VAL N N 161 118.047 118.047 116.354 1.693 18953 1848 1 2 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.281 -0.029 18953 1849 1 2 . 1 1 161 161 VAL C C 161 175.118 175.118 174.959 0.159 18953 1850 1 2 . 1 1 161 161 VAL CA C 161 63.303 63.303 62.054 1.249 18953 1851 1 2 . 1 1 161 161 VAL CB C 161 32.835 32.835 32.525 0.310 18953 1852 1 2 . 1 1 161 161 VAL H H 161 8.697 8.697 8.492 0.205 18953 1853 1 2 . 1 1 162 162 THR N N 162 111.630 111.630 110.403 1.227 18953 1854 1 2 . 1 1 162 162 THR HA H 162 3.659 3.659 4.047 -0.388 18953 1855 1 2 . 1 1 162 162 THR C C 162 179.191 179.191 172.960 6.231 18953 1856 1 2 . 1 1 162 162 THR CA C 162 59.431 59.431 60.931 -1.500 18953 1857 1 2 . 1 1 162 162 THR CB C 162 71.935 71.935 71.019 0.916 18953 1858 1 2 . 1 1 162 162 THR H H 162 7.864 7.864 7.462 0.402 18953 1859 1 2 . 1 1 163 163 SER N N 163 112.275 112.275 114.086 -1.811 18953 1860 1 2 . 1 1 163 163 SER HA H 163 4.018 4.018 4.854 -0.836 18953 1861 1 2 . 1 1 163 163 SER C C 163 178.307 178.307 173.999 4.308 18953 1862 1 2 . 1 1 163 163 SER CA C 163 57.968 57.968 58.175 -0.207 18953 1863 1 2 . 1 1 163 163 SER CB C 163 63.093 63.093 64.720 -1.627 18953 1864 1 2 . 1 1 163 163 SER H H 163 7.502 7.502 8.522 -1.020 18953 1865 1 2 . 1 1 164 164 ARG N N 164 122.770 122.770 124.309 -1.539 18953 1866 1 2 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.621 -0.196 18953 1867 1 2 . 1 1 164 164 ARG C C 164 175.003 175.003 175.228 -0.225 18953 1868 1 2 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.439 0.698 18953 1869 1 2 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.828 1.625 18953 1870 1 2 . 1 1 164 164 ARG H H 164 7.578 7.578 7.653 -0.075 18953 1871 1 2 . 1 1 165 165 MET N N 165 122.454 122.454 120.564 1.890 18953 1872 1 2 . 1 1 165 165 MET HA H 165 4.620 4.620 4.920 -0.300 18953 1873 1 2 . 1 1 165 165 MET C C 165 177.244 177.244 176.047 1.197 18953 1874 1 2 . 1 1 165 165 MET CA C 165 56.192 56.192 55.490 0.702 18953 1875 1 2 . 1 1 165 165 MET CB C 165 37.269 37.269 33.620 3.649 18953 1876 1 2 . 1 1 165 165 MET H H 165 8.480 8.480 8.706 -0.226 18953 1877 1 2 . 1 1 166 166 GLY N N 166 107.987 107.987 110.061 -2.074 18953 1878 1 2 . 1 1 166 166 GLY C C 166 177.648 177.648 173.360 4.288 18953 1879 1 2 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.688 1.004 18953 1880 1 2 . 1 1 166 166 GLY H H 166 9.046 9.046 8.653 0.393 18953 1881 1 2 . 1 1 167 167 SER N N 167 113.024 113.024 115.740 -2.716 18953 1882 1 2 . 1 1 167 167 SER HA H 167 4.562 4.562 5.903 -1.341 18953 1883 1 2 . 1 1 167 167 SER C C 167 179.104 179.104 172.856 6.248 18953 1884 1 2 . 1 1 167 167 SER CA C 167 58.729 58.729 56.162 2.567 18953 1885 1 2 . 1 1 167 167 SER CB C 167 64.816 64.816 65.710 -0.894 18953 1886 1 2 . 1 1 167 167 SER H H 167 8.257 8.257 8.067 0.190 18953 1887 1 2 . 1 1 168 168 ILE N N 168 118.927 118.927 121.891 -2.964 18953 1888 1 2 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.016 0.492 18953 1889 1 2 . 1 1 168 168 ILE C C 168 177.783 177.783 173.790 3.993 18953 1890 1 2 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.973 0.188 18953 1891 1 2 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.311 0.899 18953 1892 1 2 . 1 1 168 168 ILE H H 168 8.922 8.922 9.118 -0.196 18953 1893 1 2 . 1 1 169 169 ARG N N 169 124.820 124.820 124.394 0.426 18953 1894 1 2 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.732 0.313 18953 1895 1 2 . 1 1 169 169 ARG C C 169 177.350 177.350 174.194 3.156 18953 1896 1 2 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.431 -0.246 18953 1897 1 2 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.548 0.443 18953 1898 1 2 . 1 1 169 169 ARG H H 169 9.757 9.757 9.325 0.432 18953 1899 1 2 . 1 1 170 170 ARG N N 170 122.951 122.951 126.308 -3.357 18953 1900 1 2 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.953 -0.688 18953 1901 1 2 . 1 1 170 170 ARG C C 170 174.373 174.373 175.888 -1.515 18953 1902 1 2 . 1 1 170 170 ARG CA C 170 55.170 55.170 53.814 1.356 18953 1903 1 2 . 1 1 170 170 ARG CB C 170 30.150 30.150 29.270 0.880 18953 1904 1 2 . 1 1 170 170 ARG H H 170 8.552 8.552 8.072 0.480 18953 1905 1 2 . 1 1 171 171 ILE N N 171 123.280 123.280 127.068 -3.788 18953 1906 1 2 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.646 0.156 18953 1907 1 2 . 1 1 171 171 ILE C C 171 177.088 177.088 174.481 2.607 18953 1908 1 2 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.481 0.080 18953 1909 1 2 . 1 1 171 171 ILE CB C 171 36.326 36.326 35.719 0.607 18953 1910 1 2 . 1 1 171 171 ILE H H 171 8.424 8.424 8.049 0.375 18953 1911 1 2 . 1 1 172 172 THR N N 172 117.270 117.270 117.201 0.069 18953 1912 1 2 . 1 1 172 172 THR HA H 172 4.558 4.558 4.142 0.416 18953 1913 1 2 . 1 1 172 172 THR C C 172 177.651 177.651 172.786 4.865 18953 1914 1 2 . 1 1 172 172 THR CA C 172 60.095 60.095 61.085 -0.990 18953 1915 1 2 . 1 1 172 172 THR CB C 172 70.040 70.040 68.507 1.534 18953 1916 1 2 . 1 1 172 172 THR H H 172 7.299 7.299 8.301 -1.002 18953 1917 1 2 . 1 1 173 173 ASP N N 173 121.598 121.598 122.204 -0.606 18953 1918 1 2 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.737 -0.292 18953 1919 1 2 . 1 1 173 173 ASP C C 173 177.041 177.041 175.349 1.692 18953 1920 1 2 . 1 1 173 173 ASP CA C 173 55.010 55.010 54.046 0.964 18953 1921 1 2 . 1 1 173 173 ASP CB C 173 41.524 41.524 41.484 0.040 18953 1922 1 2 . 1 1 173 173 ASP H H 173 8.477 8.477 7.898 0.579 18953 1923 1 3 . 1 1 2 2 GLY C C 2 182.782 182.782 173.632 9.150 18953 1924 1 3 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.153 -1.605 18953 1925 1 3 . 1 1 3 3 LYS N N 3 120.153 120.153 121.087 -0.934 18953 1926 1 3 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.714 0.301 18953 1927 1 3 . 1 1 3 3 LYS C C 3 179.140 179.140 174.018 5.122 18953 1928 1 3 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.423 1.887 18953 1929 1 3 . 1 1 3 3 LYS CB C 3 35.698 35.698 37.197 -1.498 18953 1930 1 3 . 1 1 3 3 LYS H H 3 8.398 8.398 7.941 0.457 18953 1931 1 3 . 1 1 4 4 ILE N N 4 129.769 129.769 122.402 7.367 18953 1932 1 3 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.905 -0.299 18953 1933 1 3 . 1 1 4 4 ILE C C 4 180.618 180.618 173.204 7.414 18953 1934 1 3 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.852 -0.452 18953 1935 1 3 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.462 -0.444 18953 1936 1 3 . 1 1 4 4 ILE H H 4 8.871 8.871 8.466 0.405 18953 1937 1 3 . 1 1 5 5 ILE N N 5 125.103 125.103 127.474 -2.371 18953 1938 1 3 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.919 -0.411 18953 1939 1 3 . 1 1 5 5 ILE C C 5 177.516 177.516 174.912 2.604 18953 1940 1 3 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.538 1.291 18953 1941 1 3 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.461 -0.044 18953 1942 1 3 . 1 1 5 5 ILE H H 5 8.788 8.788 8.765 0.023 18953 1943 1 3 . 1 1 6 6 PHE N N 6 125.558 125.558 125.201 0.357 18953 1944 1 3 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.710 -0.087 18953 1945 1 3 . 1 1 6 6 PHE C C 6 176.512 176.512 174.886 1.626 18953 1946 1 3 . 1 1 6 6 PHE CA C 6 57.219 57.219 57.133 0.087 18953 1947 1 3 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.312 0.171 18953 1948 1 3 . 1 1 6 6 PHE H H 6 8.540 8.540 9.186 -0.646 18953 1949 1 3 . 1 1 7 7 TYR N N 7 120.647 120.647 118.465 2.182 18953 1950 1 3 . 1 1 7 7 TYR HA H 7 5.171 5.171 4.975 0.196 18953 1951 1 3 . 1 1 7 7 TYR C C 7 173.898 173.898 175.091 -1.193 18953 1952 1 3 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.683 -0.237 18953 1953 1 3 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.836 -3.526 18953 1954 1 3 . 1 1 7 7 TYR H H 7 8.889 8.889 9.267 -0.378 18953 1955 1 3 . 1 1 8 8 GLU N N 8 122.007 122.007 123.041 -1.034 18953 1956 1 3 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.140 0.041 18953 1957 1 3 . 1 1 8 8 GLU C C 8 174.881 174.881 176.747 -1.866 18953 1958 1 3 . 1 1 8 8 GLU CA C 8 60.066 60.066 57.516 2.550 18953 1959 1 3 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.718 1.334 18953 1960 1 3 . 1 1 8 8 GLU H H 8 8.756 8.756 8.540 0.216 18953 1961 1 3 . 1 1 9 9 ASP N N 9 114.203 114.203 120.172 -5.969 18953 1962 1 3 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.730 0.492 18953 1963 1 3 . 1 1 9 9 ASP CA C 9 52.366 52.366 53.547 -1.181 18953 1964 1 3 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.087 1.349 18953 1965 1 3 . 1 1 9 9 ASP H H 9 7.977 7.977 8.081 -0.104 18953 1966 1 3 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.304 -1.185 18953 1967 1 3 . 1 1 11 11 ASN CA C 11 56.660 56.660 55.208 1.452 18953 1968 1 3 . 1 1 11 11 ASN CB C 11 35.050 35.050 38.928 -3.878 18953 1969 1 3 . 1 1 13 13 GLY C C 13 178.281 178.281 173.785 4.496 18953 1970 1 3 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.904 -0.458 18953 1971 1 3 . 1 1 14 14 GLY N N 14 105.348 105.348 107.170 -1.822 18953 1972 1 3 . 1 1 14 14 GLY C C 14 176.463 176.463 174.146 2.317 18953 1973 1 3 . 1 1 14 14 GLY CA C 14 45.111 45.111 44.973 0.138 18953 1974 1 3 . 1 1 14 14 GLY H H 14 8.261 8.261 8.263 -0.002 18953 1975 1 3 . 1 1 15 15 ARG N N 15 119.637 119.637 124.931 -5.294 18953 1976 1 3 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.390 -0.179 18953 1977 1 3 . 1 1 15 15 ARG C C 15 176.574 176.574 176.218 0.356 18953 1978 1 3 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.362 0.970 18953 1979 1 3 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.322 1.091 18953 1980 1 3 . 1 1 15 15 ARG H H 15 8.579 8.579 8.297 0.282 18953 1981 1 3 . 1 1 16 16 TYR N N 16 114.846 114.846 121.976 -7.130 18953 1982 1 3 . 1 1 16 16 TYR HA H 16 5.858 5.858 4.998 0.860 18953 1983 1 3 . 1 1 16 16 TYR C C 16 176.510 176.510 174.788 1.722 18953 1984 1 3 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.848 -0.235 18953 1985 1 3 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.689 1.729 18953 1986 1 3 . 1 1 16 16 TYR H H 16 7.617 7.617 8.035 -0.418 18953 1987 1 3 . 1 1 17 17 HIS N N 17 118.443 118.443 120.668 -2.225 18953 1988 1 3 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.797 0.013 18953 1989 1 3 . 1 1 17 17 HIS C C 17 177.970 177.970 173.573 4.397 18953 1990 1 3 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.794 -0.232 18953 1991 1 3 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.400 0.204 18953 1992 1 3 . 1 1 17 17 HIS H H 17 8.785 8.785 8.604 0.181 18953 1993 1 3 . 1 1 18 18 GLU N N 18 126.223 126.223 127.693 -1.470 18953 1994 1 3 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.399 0.439 18953 1995 1 3 . 1 1 18 18 GLU C C 18 176.504 176.504 175.084 1.420 18953 1996 1 3 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.940 -0.841 18953 1997 1 3 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.461 1.661 18953 1998 1 3 . 1 1 18 18 GLU H H 18 8.529 8.529 8.389 0.140 18953 1999 1 3 . 1 1 19 19 CYS N N 19 121.383 121.383 122.736 -1.353 18953 2000 1 3 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.731 -0.075 18953 2001 1 3 . 1 1 19 19 CYS C C 19 178.018 178.018 174.373 3.645 18953 2002 1 3 . 1 1 19 19 CYS CA C 19 58.777 58.777 57.797 0.980 18953 2003 1 3 . 1 1 19 19 CYS CB C 19 29.812 29.812 30.667 -0.855 18953 2004 1 3 . 1 1 19 19 CYS H H 19 9.163 9.163 9.112 0.051 18953 2005 1 3 . 1 1 20 20 MET N N 20 126.877 126.877 119.303 7.574 18953 2006 1 3 . 1 1 20 20 MET HA H 20 5.295 5.295 4.855 0.440 18953 2007 1 3 . 1 1 20 20 MET C C 20 176.776 176.776 174.782 1.994 18953 2008 1 3 . 1 1 20 20 MET CA C 20 55.260 55.260 55.760 -0.500 18953 2009 1 3 . 1 1 20 20 MET CB C 20 33.370 33.370 33.893 -0.523 18953 2010 1 3 . 1 1 20 20 MET H H 20 8.995 8.995 8.832 0.163 18953 2011 1 3 . 1 1 21 21 SER N N 21 179.042 179.042 115.412 63.630 18953 2012 1 3 . 1 1 21 21 SER HA H 21 4.658 4.658 4.866 -0.208 18953 2013 1 3 . 1 1 21 21 SER C C 21 179.042 179.042 173.833 5.209 18953 2014 1 3 . 1 1 21 21 SER CA C 21 57.586 57.586 56.953 0.633 18953 2015 1 3 . 1 1 21 21 SER CB C 21 65.782 65.782 66.487 -0.705 18953 2016 1 3 . 1 1 21 21 SER H H 21 7.990 7.990 7.850 0.140 18953 2017 1 3 . 1 1 22 22 ASP N N 22 117.203 117.203 119.647 -2.444 18953 2018 1 3 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.746 0.205 18953 2019 1 3 . 1 1 22 22 ASP C C 22 173.564 173.564 175.895 -2.331 18953 2020 1 3 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.459 1.012 18953 2021 1 3 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.887 0.932 18953 2022 1 3 . 1 1 22 22 ASP H H 22 8.317 8.317 8.562 -0.245 18953 2023 1 3 . 1 1 23 23 CYS N N 23 121.308 121.308 121.253 0.055 18953 2024 1 3 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.742 0.049 18953 2025 1 3 . 1 1 23 23 CYS C C 23 177.265 177.265 174.366 2.899 18953 2026 1 3 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.850 2.113 18953 2027 1 3 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.223 -0.811 18953 2028 1 3 . 1 1 23 23 CYS H H 23 9.410 9.410 8.929 0.481 18953 2029 1 3 . 1 1 24 24 ALA N N 24 131.693 131.693 129.580 2.113 18953 2030 1 3 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.732 -0.210 18953 2031 1 3 . 1 1 24 24 ALA C C 24 175.455 175.455 175.762 -0.307 18953 2032 1 3 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.631 1.983 18953 2033 1 3 . 1 1 24 24 ALA CB C 24 19.175 19.175 18.931 0.244 18953 2034 1 3 . 1 1 24 24 ALA H H 24 9.210 9.210 8.785 0.425 18953 2035 1 3 . 1 1 25 25 ASP N N 25 113.873 113.873 116.704 -2.831 18953 2036 1 3 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.855 0.040 18953 2037 1 3 . 1 1 25 25 ASP C C 25 174.970 174.970 175.188 -0.218 18953 2038 1 3 . 1 1 25 25 ASP CA C 25 53.920 53.920 52.825 1.095 18953 2039 1 3 . 1 1 25 25 ASP CB C 25 40.564 40.564 40.696 -0.132 18953 2040 1 3 . 1 1 25 25 ASP H H 25 7.524 7.524 7.508 0.016 18953 2041 1 3 . 1 1 26 26 LEU N N 26 127.166 127.166 121.213 5.953 18953 2042 1 3 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.184 -0.185 18953 2043 1 3 . 1 1 26 26 LEU C C 26 173.727 173.727 177.271 -3.544 18953 2044 1 3 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.818 1.333 18953 2045 1 3 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.732 -0.373 18953 2046 1 3 . 1 1 26 26 LEU H H 26 8.495 8.495 8.736 -0.241 18953 2047 1 3 . 1 1 27 27 HIS N N 27 118.732 118.732 119.626 -0.894 18953 2048 1 3 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.292 0.245 18953 2049 1 3 . 1 1 27 27 HIS C C 27 175.667 175.667 175.942 -0.275 18953 2050 1 3 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.343 -1.550 18953 2051 1 3 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.571 -1.533 18953 2052 1 3 . 1 1 27 27 HIS H H 27 8.446 8.446 7.693 0.753 18953 2053 1 3 . 1 1 28 28 SER N N 28 112.598 112.598 112.998 -0.400 18953 2054 1 3 . 1 1 28 28 SER HA H 28 3.792 3.792 4.255 -0.463 18953 2055 1 3 . 1 1 28 28 SER C C 28 177.551 177.551 174.556 2.995 18953 2056 1 3 . 1 1 28 28 SER CA C 28 60.406 60.406 60.162 0.244 18953 2057 1 3 . 1 1 28 28 SER CB C 28 62.814 62.814 62.187 0.627 18953 2058 1 3 . 1 1 28 28 SER H H 28 7.237 7.237 8.247 -1.010 18953 2059 1 3 . 1 1 29 29 TYR N N 29 118.301 118.301 119.373 -1.072 18953 2060 1 3 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.209 0.093 18953 2061 1 3 . 1 1 29 29 TYR C C 29 176.283 176.283 175.793 0.490 18953 2062 1 3 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.234 -1.566 18953 2063 1 3 . 1 1 29 29 TYR CB C 29 39.471 39.471 39.402 0.069 18953 2064 1 3 . 1 1 29 29 TYR H H 29 7.224 7.224 7.274 -0.050 18953 2065 1 3 . 1 1 30 30 PHE N N 30 112.713 112.713 112.238 0.475 18953 2066 1 3 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.668 0.014 18953 2067 1 3 . 1 1 30 30 PHE C C 30 177.785 177.785 174.126 3.659 18953 2068 1 3 . 1 1 30 30 PHE CA C 30 55.924 55.924 55.733 0.191 18953 2069 1 3 . 1 1 30 30 PHE CB C 30 39.744 39.744 39.846 -0.102 18953 2070 1 3 . 1 1 30 30 PHE H H 30 7.173 7.173 7.410 -0.237 18953 2071 1 3 . 1 1 31 31 ASN N N 31 115.959 115.959 118.988 -3.029 18953 2072 1 3 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.150 0.560 18953 2073 1 3 . 1 1 31 31 ASN C C 31 176.537 176.537 174.713 1.824 18953 2074 1 3 . 1 1 31 31 ASN CA C 31 53.551 53.551 52.950 0.601 18953 2075 1 3 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.134 0.922 18953 2076 1 3 . 1 1 31 31 ASN H H 31 8.918 8.918 8.757 0.161 18953 2077 1 3 . 1 1 32 32 ARG N N 32 117.693 117.693 117.352 0.341 18953 2078 1 3 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.647 -0.020 18953 2079 1 3 . 1 1 32 32 ARG C C 32 178.177 178.177 173.789 4.388 18953 2080 1 3 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.632 -0.476 18953 2081 1 3 . 1 1 32 32 ARG CB C 32 33.091 33.091 33.935 -0.844 18953 2082 1 3 . 1 1 32 32 ARG H H 32 7.893 7.893 7.740 0.153 18953 2083 1 3 . 1 1 33 33 CYS N N 33 119.494 119.494 121.578 -2.084 18953 2084 1 3 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.463 0.489 18953 2085 1 3 . 1 1 33 33 CYS C C 33 176.223 176.223 173.859 2.364 18953 2086 1 3 . 1 1 33 33 CYS CA C 33 58.307 58.307 57.287 1.020 18953 2087 1 3 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.073 -0.322 18953 2088 1 3 . 1 1 33 33 CYS H H 33 8.161 8.161 8.715 -0.554 18953 2089 1 3 . 1 1 34 34 HIS N N 34 126.786 126.786 124.914 1.872 18953 2090 1 3 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.473 0.549 18953 2091 1 3 . 1 1 34 34 HIS C C 34 176.224 176.224 174.652 1.572 18953 2092 1 3 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.824 -0.126 18953 2093 1 3 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.099 2.210 18953 2094 1 3 . 1 1 34 34 HIS H H 34 8.325 8.325 8.293 0.032 18953 2095 1 3 . 1 1 35 35 SER N N 35 113.132 113.132 113.680 -0.548 18953 2096 1 3 . 1 1 35 35 SER HA H 35 5.264 5.264 5.162 0.102 18953 2097 1 3 . 1 1 35 35 SER C C 35 179.093 179.093 172.438 6.655 18953 2098 1 3 . 1 1 35 35 SER CA C 35 59.951 59.951 57.996 1.955 18953 2099 1 3 . 1 1 35 35 SER CB C 35 65.754 65.754 66.267 -0.513 18953 2100 1 3 . 1 1 35 35 SER H H 35 8.489 8.489 8.062 0.427 18953 2101 1 3 . 1 1 36 36 ILE N N 36 119.607 119.607 121.803 -2.196 18953 2102 1 3 . 1 1 36 36 ILE HA H 36 5.369 5.369 5.065 0.304 18953 2103 1 3 . 1 1 36 36 ILE C C 36 176.313 176.313 172.885 3.428 18953 2104 1 3 . 1 1 36 36 ILE CA C 36 60.494 60.494 59.825 0.669 18953 2105 1 3 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.203 3.567 18953 2106 1 3 . 1 1 36 36 ILE H H 36 8.579 8.579 8.949 -0.370 18953 2107 1 3 . 1 1 37 37 ARG N N 37 126.328 126.328 123.309 3.019 18953 2108 1 3 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.863 0.096 18953 2109 1 3 . 1 1 37 37 ARG C C 37 176.785 176.785 173.569 3.216 18953 2110 1 3 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.059 1.055 18953 2111 1 3 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.953 0.381 18953 2112 1 3 . 1 1 37 37 ARG H H 37 9.342 9.342 8.704 0.638 18953 2113 1 3 . 1 1 38 38 VAL N N 38 125.466 125.466 122.012 3.454 18953 2114 1 3 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.755 -0.431 18953 2115 1 3 . 1 1 38 38 VAL C C 38 175.196 175.196 175.525 -0.329 18953 2116 1 3 . 1 1 38 38 VAL CA C 38 62.436 62.436 60.556 1.880 18953 2117 1 3 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.978 -1.304 18953 2118 1 3 . 1 1 38 38 VAL H H 38 9.122 9.122 9.011 0.111 18953 2119 1 3 . 1 1 39 39 GLU N N 39 128.582 128.582 128.517 0.065 18953 2120 1 3 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.290 -0.206 18953 2121 1 3 . 1 1 39 39 GLU C C 39 175.200 175.200 175.862 -0.662 18953 2122 1 3 . 1 1 39 39 GLU CA C 39 58.498 58.498 57.139 1.359 18953 2123 1 3 . 1 1 39 39 GLU CB C 39 31.830 31.830 31.312 0.518 18953 2124 1 3 . 1 1 39 39 GLU H H 39 8.258 8.258 8.578 -0.320 18953 2125 1 3 . 1 1 40 40 SER N N 40 108.412 108.412 110.014 -1.602 18953 2126 1 3 . 1 1 40 40 SER HA H 40 4.343 4.343 4.527 -0.184 18953 2127 1 3 . 1 1 40 40 SER C C 40 178.000 178.000 173.309 4.691 18953 2128 1 3 . 1 1 40 40 SER CA C 40 57.623 57.623 58.074 -0.451 18953 2129 1 3 . 1 1 40 40 SER CB C 40 64.539 64.539 64.257 0.282 18953 2130 1 3 . 1 1 40 40 SER H H 40 7.753 7.753 7.397 0.356 18953 2131 1 3 . 1 1 41 41 GLY N N 41 109.451 109.451 113.997 -4.546 18953 2132 1 3 . 1 1 41 41 GLY C C 41 179.855 179.855 172.246 7.609 18953 2133 1 3 . 1 1 41 41 GLY CA C 41 44.884 44.884 44.966 -0.082 18953 2134 1 3 . 1 1 41 41 GLY H H 41 8.714 8.714 8.620 0.094 18953 2135 1 3 . 1 1 42 42 CYS N N 42 112.295 112.295 118.575 -6.280 18953 2136 1 3 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.155 -0.221 18953 2137 1 3 . 1 1 42 42 CYS C C 42 178.663 178.663 173.006 5.657 18953 2138 1 3 . 1 1 42 42 CYS CA C 42 56.877 56.877 57.866 -0.989 18953 2139 1 3 . 1 1 42 42 CYS CB C 42 31.679 31.679 32.353 -0.674 18953 2140 1 3 . 1 1 42 42 CYS H H 42 7.794 7.794 8.435 -0.641 18953 2141 1 3 . 1 1 43 43 PHE N N 43 118.841 118.841 120.394 -1.553 18953 2142 1 3 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.776 0.348 18953 2143 1 3 . 1 1 43 43 PHE C C 43 178.045 178.045 173.383 4.662 18953 2144 1 3 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.488 -0.998 18953 2145 1 3 . 1 1 43 43 PHE CB C 43 44.957 44.957 44.234 0.723 18953 2146 1 3 . 1 1 43 43 PHE H H 43 8.509 8.509 8.777 -0.268 18953 2147 1 3 . 1 1 44 44 MET N N 44 119.494 119.494 125.816 -6.322 18953 2148 1 3 . 1 1 44 44 MET HA H 44 5.442 5.442 5.097 0.345 18953 2149 1 3 . 1 1 44 44 MET C C 44 174.336 174.336 174.495 -0.159 18953 2150 1 3 . 1 1 44 44 MET CA C 44 52.992 52.992 52.518 0.474 18953 2151 1 3 . 1 1 44 44 MET CB C 44 33.835 33.835 33.624 0.211 18953 2152 1 3 . 1 1 44 44 MET H H 44 9.110 9.110 8.963 0.147 18953 2153 1 3 . 1 1 45 45 VAL N N 45 117.666 117.666 123.612 -5.946 18953 2154 1 3 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.976 0.411 18953 2155 1 3 . 1 1 45 45 VAL C C 45 177.844 177.844 173.980 3.864 18953 2156 1 3 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.576 0.057 18953 2157 1 3 . 1 1 45 45 VAL CB C 45 34.280 34.280 33.203 1.077 18953 2158 1 3 . 1 1 45 45 VAL H H 45 9.345 9.345 8.892 0.453 18953 2159 1 3 . 1 1 46 46 TYR N N 46 117.876 117.876 123.102 -5.226 18953 2160 1 3 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.185 0.820 18953 2161 1 3 . 1 1 46 46 TYR C C 46 173.152 173.152 175.796 -2.644 18953 2162 1 3 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.449 -0.766 18953 2163 1 3 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.124 -1.099 18953 2164 1 3 . 1 1 46 46 TYR H H 46 8.145 8.145 9.347 -1.202 18953 2165 1 3 . 1 1 47 47 ASP N N 47 119.783 119.783 123.144 -3.361 18953 2166 1 3 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.759 0.126 18953 2167 1 3 . 1 1 47 47 ASP C C 47 176.040 176.040 176.414 -0.374 18953 2168 1 3 . 1 1 47 47 ASP CA C 47 53.826 53.826 55.219 -1.393 18953 2169 1 3 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.980 -0.913 18953 2170 1 3 . 1 1 47 47 ASP H H 47 8.690 8.690 8.838 -0.148 18953 2171 1 3 . 1 1 48 48 ARG N N 48 116.008 116.008 117.473 -1.465 18953 2172 1 3 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.768 -0.030 18953 2173 1 3 . 1 1 48 48 ARG C C 48 175.495 175.495 175.148 0.347 18953 2174 1 3 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.222 0.123 18953 2175 1 3 . 1 1 48 48 ARG CB C 48 34.662 34.662 34.384 0.278 18953 2176 1 3 . 1 1 48 48 ARG H H 48 7.627 7.627 8.174 -0.547 18953 2177 1 3 . 1 1 49 49 THR N N 49 110.526 110.526 113.163 -2.637 18953 2178 1 3 . 1 1 49 49 THR HA H 49 3.790 3.790 4.179 -0.389 18953 2179 1 3 . 1 1 49 49 THR C C 49 176.951 176.951 174.386 2.565 18953 2180 1 3 . 1 1 49 49 THR CA C 49 62.112 62.112 62.462 -0.350 18953 2181 1 3 . 1 1 49 49 THR CB C 49 70.189 70.189 69.292 0.897 18953 2182 1 3 . 1 1 49 49 THR H H 49 8.173 8.173 8.247 -0.074 18953 2183 1 3 . 1 1 50 50 ASN N N 50 112.515 112.515 118.150 -5.635 18953 2184 1 3 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.701 -0.452 18953 2185 1 3 . 1 1 50 50 ASN C C 50 178.172 178.172 173.601 4.571 18953 2186 1 3 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.602 0.775 18953 2187 1 3 . 1 1 50 50 ASN CB C 50 36.907 36.907 36.868 0.039 18953 2188 1 3 . 1 1 50 50 ASN H H 50 9.654 9.654 8.246 1.408 18953 2189 1 3 . 1 1 51 51 PHE N N 51 110.557 110.557 108.653 1.904 18953 2190 1 3 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.597 0.053 18953 2191 1 3 . 1 1 51 51 PHE C C 51 176.292 176.292 174.500 1.792 18953 2192 1 3 . 1 1 51 51 PHE CA C 51 55.668 55.668 57.653 -1.985 18953 2193 1 3 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.285 0.647 18953 2194 1 3 . 1 1 51 51 PHE H H 51 7.568 7.568 6.821 0.747 18953 2195 1 3 . 1 1 52 52 MET N N 52 117.547 117.547 117.391 0.156 18953 2196 1 3 . 1 1 52 52 MET HA H 52 4.859 4.859 4.959 -0.100 18953 2197 1 3 . 1 1 52 52 MET C C 52 177.399 177.399 175.364 2.035 18953 2198 1 3 . 1 1 52 52 MET CA C 52 53.946 53.946 54.805 -0.859 18953 2199 1 3 . 1 1 52 52 MET CB C 52 35.335 35.335 36.793 -1.458 18953 2200 1 3 . 1 1 52 52 MET H H 52 6.355 6.355 7.517 -1.162 18953 2201 1 3 . 1 1 53 53 GLY N N 53 103.445 103.445 106.542 -3.097 18953 2202 1 3 . 1 1 53 53 GLY C C 53 175.327 175.327 173.939 1.388 18953 2203 1 3 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.828 -0.245 18953 2204 1 3 . 1 1 53 53 GLY H H 53 8.256 8.256 8.609 -0.353 18953 2205 1 3 . 1 1 54 54 ARG N N 54 124.195 124.195 122.295 1.900 18953 2206 1 3 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.014 0.148 18953 2207 1 3 . 1 1 54 54 ARG C C 54 177.235 177.235 175.829 1.406 18953 2208 1 3 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.253 -0.053 18953 2209 1 3 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.451 0.764 18953 2210 1 3 . 1 1 54 54 ARG H H 54 9.034 9.034 8.582 0.452 18953 2211 1 3 . 1 1 55 55 GLN N N 55 118.867 118.867 122.481 -3.614 18953 2212 1 3 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.979 0.040 18953 2213 1 3 . 1 1 55 55 GLN C C 55 176.166 176.166 175.045 1.121 18953 2214 1 3 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.718 -1.604 18953 2215 1 3 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.111 1.360 18953 2216 1 3 . 1 1 55 55 GLN H H 55 7.657 7.657 8.306 -0.649 18953 2217 1 3 . 1 1 56 56 TYR N N 56 117.323 117.323 122.660 -5.337 18953 2218 1 3 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.710 -0.260 18953 2219 1 3 . 1 1 56 56 TYR C C 56 177.276 177.276 174.169 3.107 18953 2220 1 3 . 1 1 56 56 TYR CA C 56 57.213 57.213 57.276 -0.063 18953 2221 1 3 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.337 -0.777 18953 2222 1 3 . 1 1 56 56 TYR H H 56 8.704 8.704 9.031 -0.327 18953 2223 1 3 . 1 1 57 57 PHE N N 57 125.557 125.557 124.664 0.893 18953 2224 1 3 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.848 0.369 18953 2225 1 3 . 1 1 57 57 PHE C C 57 176.412 176.412 174.206 2.206 18953 2226 1 3 . 1 1 57 57 PHE CA C 57 58.371 58.371 56.990 1.381 18953 2227 1 3 . 1 1 57 57 PHE CB C 57 40.989 40.989 40.223 0.766 18953 2228 1 3 . 1 1 57 57 PHE H H 57 8.600 8.600 8.805 -0.205 18953 2229 1 3 . 1 1 58 58 LEU N N 58 129.141 129.141 128.916 0.225 18953 2230 1 3 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.522 -0.167 18953 2231 1 3 . 1 1 58 58 LEU C C 58 177.356 177.356 175.101 2.255 18953 2232 1 3 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.246 0.604 18953 2233 1 3 . 1 1 58 58 LEU CB C 58 44.886 44.886 43.788 1.098 18953 2234 1 3 . 1 1 58 58 LEU H H 58 8.969 8.969 8.328 0.641 18953 2235 1 3 . 1 1 59 59 ARG N N 59 118.569 118.569 122.428 -3.859 18953 2236 1 3 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.444 0.119 18953 2237 1 3 . 1 1 59 59 ARG C C 59 175.341 175.341 175.515 -0.174 18953 2238 1 3 . 1 1 59 59 ARG CA C 59 53.734 53.734 54.318 -0.584 18953 2239 1 3 . 1 1 59 59 ARG CB C 59 32.396 32.396 32.247 0.149 18953 2240 1 3 . 1 1 59 59 ARG H H 59 7.107 7.107 8.071 -0.964 18953 2241 1 3 . 1 1 60 60 ARG N N 60 121.635 121.635 122.201 -0.566 18953 2242 1 3 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.946 0.019 18953 2243 1 3 . 1 1 60 60 ARG C C 60 175.525 175.525 175.533 -0.008 18953 2244 1 3 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.669 0.285 18953 2245 1 3 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.738 1.152 18953 2246 1 3 . 1 1 60 60 ARG H H 60 8.258 8.258 8.136 0.122 18953 2247 1 3 . 1 1 61 61 GLY N N 61 112.955 112.955 113.994 -1.039 18953 2248 1 3 . 1 1 61 61 GLY C C 61 180.518 180.518 171.620 8.898 18953 2249 1 3 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.982 -0.304 18953 2250 1 3 . 1 1 61 61 GLY H H 61 8.706 8.706 8.119 0.587 18953 2251 1 3 . 1 1 62 62 GLU N N 62 117.563 117.563 119.551 -1.988 18953 2252 1 3 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.604 -0.055 18953 2253 1 3 . 1 1 62 62 GLU C C 62 176.249 176.249 175.155 1.094 18953 2254 1 3 . 1 1 62 62 GLU CA C 62 55.813 55.813 55.165 0.648 18953 2255 1 3 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.655 1.189 18953 2256 1 3 . 1 1 62 62 GLU H H 62 8.161 8.161 8.358 -0.197 18953 2257 1 3 . 1 1 63 63 TYR N N 63 119.057 119.057 124.971 -5.914 18953 2258 1 3 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.926 0.250 18953 2259 1 3 . 1 1 63 63 TYR CA C 63 55.273 55.273 55.995 -0.722 18953 2260 1 3 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.771 -1.723 18953 2261 1 3 . 1 1 63 63 TYR H H 63 8.827 8.827 8.754 0.073 18953 2262 1 3 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.088 -0.404 18953 2263 1 3 . 1 1 64 64 PRO CA C 64 64.970 64.970 63.505 1.465 18953 2264 1 3 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.302 -0.167 18953 2265 1 3 . 1 1 65 65 ASP N N 65 118.810 118.810 116.909 1.901 18953 2266 1 3 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.216 -0.169 18953 2267 1 3 . 1 1 65 65 ASP C C 65 174.175 174.175 174.864 -0.689 18953 2268 1 3 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.892 -0.318 18953 2269 1 3 . 1 1 65 65 ASP CB C 65 39.805 39.805 44.215 -4.410 18953 2270 1 3 . 1 1 65 65 ASP H H 65 8.600 8.600 7.785 0.815 18953 2271 1 3 . 1 1 66 66 TYR N N 66 119.662 119.662 120.151 -0.489 18953 2272 1 3 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.860 -0.459 18953 2273 1 3 . 1 1 66 66 TYR C C 66 175.431 175.431 174.008 1.423 18953 2274 1 3 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.042 3.931 18953 2275 1 3 . 1 1 66 66 TYR CB C 66 38.024 38.024 39.126 -1.102 18953 2276 1 3 . 1 1 66 66 TYR H H 66 6.530 6.530 7.992 -1.462 18953 2277 1 3 . 1 1 67 67 MET N N 67 121.502 121.502 121.121 0.381 18953 2278 1 3 . 1 1 67 67 MET HA H 67 3.626 3.626 4.407 -0.780 18953 2279 1 3 . 1 1 67 67 MET C C 67 172.742 172.742 176.928 -4.186 18953 2280 1 3 . 1 1 67 67 MET CA C 67 59.998 59.998 55.926 4.072 18953 2281 1 3 . 1 1 67 67 MET CB C 67 32.064 32.064 33.723 -1.659 18953 2282 1 3 . 1 1 67 67 MET H H 67 8.299 8.299 8.020 0.279 18953 2283 1 3 . 1 1 68 68 ARG N N 68 116.824 116.824 117.327 -0.503 18953 2284 1 3 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.361 -0.206 18953 2285 1 3 . 1 1 68 68 ARG C C 68 171.982 171.982 177.033 -5.051 18953 2286 1 3 . 1 1 68 68 ARG CA C 68 58.600 58.600 57.812 0.788 18953 2287 1 3 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.179 0.877 18953 2288 1 3 . 1 1 68 68 ARG H H 68 6.919 6.919 8.311 -1.392 18953 2289 1 3 . 1 1 69 69 THR N N 69 111.292 111.292 114.047 -2.755 18953 2290 1 3 . 1 1 69 69 THR HA H 69 4.101 4.101 4.218 -0.117 18953 2291 1 3 . 1 1 69 69 THR C C 69 174.584 174.584 174.996 -0.412 18953 2292 1 3 . 1 1 69 69 THR CA C 69 65.512 65.512 64.353 1.159 18953 2293 1 3 . 1 1 69 69 THR CB C 69 68.821 68.821 68.797 0.024 18953 2294 1 3 . 1 1 69 69 THR H H 69 8.020 8.020 7.909 0.111 18953 2295 1 3 . 1 1 70 70 MET N N 70 117.481 117.481 117.827 -0.346 18953 2296 1 3 . 1 1 70 70 MET HA H 70 4.496 4.496 4.620 -0.124 18953 2297 1 3 . 1 1 70 70 MET C C 70 175.015 175.015 176.481 -1.466 18953 2298 1 3 . 1 1 70 70 MET CA C 70 56.029 56.029 55.014 1.014 18953 2299 1 3 . 1 1 70 70 MET CB C 70 33.013 33.013 33.684 -0.672 18953 2300 1 3 . 1 1 70 70 MET H H 70 8.315 8.315 7.616 0.699 18953 2301 1 3 . 1 1 71 71 GLY N N 71 108.537 108.537 108.587 -0.050 18953 2302 1 3 . 1 1 71 71 GLY C C 71 176.534 176.534 173.311 3.223 18953 2303 1 3 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.186 2.023 18953 2304 1 3 . 1 1 71 71 GLY H H 71 7.352 7.352 7.805 -0.453 18953 2305 1 3 . 1 1 72 72 MET N N 72 118.363 118.363 118.202 0.161 18953 2306 1 3 . 1 1 72 72 MET HA H 72 4.375 4.375 4.831 -0.456 18953 2307 1 3 . 1 1 72 72 MET C C 72 176.034 176.034 175.421 0.613 18953 2308 1 3 . 1 1 72 72 MET CA C 72 55.884 55.884 54.124 1.760 18953 2309 1 3 . 1 1 72 72 MET CB C 72 35.756 35.756 35.523 0.233 18953 2310 1 3 . 1 1 72 72 MET H H 72 7.888 7.888 7.640 0.248 18953 2311 1 3 . 1 1 73 73 ASN N N 73 119.052 119.052 120.977 -1.925 18953 2312 1 3 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.770 -0.049 18953 2313 1 3 . 1 1 73 73 ASN C C 73 177.307 177.307 174.687 2.620 18953 2314 1 3 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.590 1.276 18953 2315 1 3 . 1 1 73 73 ASN CB C 73 39.872 39.872 38.144 1.728 18953 2316 1 3 . 1 1 73 73 ASN H H 73 8.956 8.956 8.889 0.067 18953 2317 1 3 . 1 1 74 74 ASP N N 74 118.536 118.536 117.106 1.430 18953 2318 1 3 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.763 0.113 18953 2319 1 3 . 1 1 74 74 ASP C C 74 177.595 177.595 174.626 2.969 18953 2320 1 3 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.915 -1.369 18953 2321 1 3 . 1 1 74 74 ASP CB C 74 44.043 44.043 42.197 1.847 18953 2322 1 3 . 1 1 74 74 ASP H H 74 7.831 7.831 7.760 0.071 18953 2323 1 3 . 1 1 75 75 CYS N N 75 116.378 116.378 116.910 -0.532 18953 2324 1 3 . 1 1 75 75 CYS HA H 75 4.661 4.661 4.922 -0.261 18953 2325 1 3 . 1 1 75 75 CYS C C 75 177.301 177.301 174.923 2.378 18953 2326 1 3 . 1 1 75 75 CYS CA C 75 58.072 58.072 57.173 0.899 18953 2327 1 3 . 1 1 75 75 CYS CB C 75 29.613 29.613 30.480 -0.867 18953 2328 1 3 . 1 1 75 75 CYS H H 75 8.527 8.527 8.509 0.018 18953 2329 1 3 . 1 1 76 76 VAL N N 76 116.516 116.516 115.552 0.964 18953 2330 1 3 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.360 -0.450 18953 2331 1 3 . 1 1 76 76 VAL C C 76 175.906 175.906 175.477 0.429 18953 2332 1 3 . 1 1 76 76 VAL CA C 76 63.823 63.823 61.901 1.922 18953 2333 1 3 . 1 1 76 76 VAL CB C 76 32.705 32.705 33.258 -0.553 18953 2334 1 3 . 1 1 76 76 VAL H H 76 7.296 7.296 8.483 -1.187 18953 2335 1 3 . 1 1 77 77 ARG N N 77 120.435 120.435 119.084 1.351 18953 2336 1 3 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.522 -0.142 18953 2337 1 3 . 1 1 77 77 ARG C C 77 175.519 175.519 176.111 -0.592 18953 2338 1 3 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.096 -0.688 18953 2339 1 3 . 1 1 77 77 ARG CB C 77 34.212 34.212 31.898 2.314 18953 2340 1 3 . 1 1 77 77 ARG H H 77 8.923 8.923 8.690 0.233 18953 2341 1 3 . 1 1 78 78 SER N N 78 110.315 110.315 115.209 -4.894 18953 2342 1 3 . 1 1 78 78 SER HA H 78 4.533 4.533 5.407 -0.874 18953 2343 1 3 . 1 1 78 78 SER C C 78 177.603 177.603 172.657 4.946 18953 2344 1 3 . 1 1 78 78 SER CA C 78 59.512 59.512 56.891 2.621 18953 2345 1 3 . 1 1 78 78 SER CB C 78 65.883 65.883 66.182 -0.299 18953 2346 1 3 . 1 1 78 78 SER H H 78 8.100 8.100 8.114 -0.014 18953 2347 1 3 . 1 1 79 79 CYS N N 79 112.901 112.901 116.734 -3.833 18953 2348 1 3 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.908 0.409 18953 2349 1 3 . 1 1 79 79 CYS C C 79 179.601 179.601 172.772 6.829 18953 2350 1 3 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.911 -1.432 18953 2351 1 3 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.118 0.232 18953 2352 1 3 . 1 1 79 79 CYS H H 79 9.438 9.438 9.293 0.145 18953 2353 1 3 . 1 1 80 80 ARG N N 80 122.877 122.877 121.760 1.117 18953 2354 1 3 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.989 0.038 18953 2355 1 3 . 1 1 80 80 ARG C C 80 176.888 176.888 173.526 3.362 18953 2356 1 3 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.723 -0.037 18953 2357 1 3 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.677 0.009 18953 2358 1 3 . 1 1 80 80 ARG H H 80 10.005 10.005 9.474 0.531 18953 2359 1 3 . 1 1 81 81 MET N N 81 125.699 125.699 121.120 4.579 18953 2360 1 3 . 1 1 81 81 MET HA H 81 3.494 3.494 3.457 0.037 18953 2361 1 3 . 1 1 81 81 MET C C 81 176.369 176.369 174.595 1.774 18953 2362 1 3 . 1 1 81 81 MET CA C 81 55.587 55.587 54.781 0.806 18953 2363 1 3 . 1 1 81 81 MET CB C 81 34.241 34.241 34.060 0.181 18953 2364 1 3 . 1 1 81 81 MET H H 81 9.198 9.198 8.319 0.878 18953 2365 1 3 . 1 1 82 82 ILE N N 82 131.119 131.119 121.401 9.718 18953 2366 1 3 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.484 -0.450 18953 2367 1 3 . 1 1 82 82 ILE CA C 82 58.850 58.850 56.633 2.217 18953 2368 1 3 . 1 1 82 82 ILE CB C 82 38.193 38.193 35.904 2.289 18953 2369 1 3 . 1 1 82 82 ILE H H 82 7.744 7.744 7.865 -0.121 18953 2370 1 3 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.427 -0.226 18953 2371 1 3 . 1 1 83 83 PRO C C 83 176.434 176.434 177.484 -1.050 18953 2372 1 3 . 1 1 83 83 PRO CA C 83 62.426 62.426 62.816 -0.390 18953 2373 1 3 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.425 -0.031 18953 2374 1 3 . 1 1 84 84 LEU N N 84 120.509 120.509 121.746 -1.237 18953 2375 1 3 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.244 -0.004 18953 2376 1 3 . 1 1 84 84 LEU C C 84 174.899 174.899 176.640 -1.741 18953 2377 1 3 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.540 -0.013 18953 2378 1 3 . 1 1 84 84 LEU CB C 84 41.560 41.560 39.674 1.886 18953 2379 1 3 . 1 1 84 84 LEU H H 84 7.873 7.873 8.490 -0.617 18953 2380 1 3 . 1 1 85 85 HIS N N 85 125.245 125.245 121.911 3.334 18953 2381 1 3 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.761 -0.177 18953 2382 1 3 . 1 1 85 85 HIS CA C 85 56.167 56.167 54.889 1.278 18953 2383 1 3 . 1 1 85 85 HIS CB C 85 32.644 32.644 29.040 3.604 18953 2384 1 3 . 1 1 85 85 HIS H H 85 8.600 8.600 7.921 0.679 18953 2385 1 3 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.406 0.355 18953 2386 1 3 . 1 1 86 86 HIS C C 86 177.250 177.250 174.474 2.776 18953 2387 1 3 . 1 1 86 86 HIS CA C 86 54.709 54.709 55.080 -0.371 18953 2388 1 3 . 1 1 86 86 HIS CB C 86 29.670 29.670 29.485 0.185 18953 2389 1 3 . 1 1 86 86 HIS H H 86 8.500 8.500 8.065 0.435 18953 2390 1 3 . 1 1 87 87 GLY N N 87 107.909 107.909 111.930 -4.021 18953 2391 1 3 . 1 1 87 87 GLY C C 87 178.627 178.627 173.545 5.082 18953 2392 1 3 . 1 1 87 87 GLY CA C 87 44.861 44.861 44.677 0.184 18953 2393 1 3 . 1 1 87 87 GLY H H 87 6.662 6.662 7.609 -0.947 18953 2394 1 3 . 1 1 88 88 SER N N 88 116.742 116.742 115.962 0.780 18953 2395 1 3 . 1 1 88 88 SER HA H 88 4.528 4.528 4.510 0.018 18953 2396 1 3 . 1 1 88 88 SER C C 88 178.527 178.527 172.981 5.546 18953 2397 1 3 . 1 1 88 88 SER CA C 88 58.279 58.279 57.562 0.717 18953 2398 1 3 . 1 1 88 88 SER CB C 88 64.360 64.360 65.391 -1.031 18953 2399 1 3 . 1 1 88 88 SER H H 88 8.235 8.235 7.848 0.387 18953 2400 1 3 . 1 1 89 89 PHE N N 89 119.985 119.985 121.028 -1.043 18953 2401 1 3 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.097 -0.529 18953 2402 1 3 . 1 1 89 89 PHE C C 89 176.551 176.551 175.335 1.216 18953 2403 1 3 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.835 -1.100 18953 2404 1 3 . 1 1 89 89 PHE CB C 89 41.321 41.321 41.413 -0.092 18953 2405 1 3 . 1 1 89 89 PHE H H 89 8.478 8.478 8.604 -0.126 18953 2406 1 3 . 1 1 90 90 LYS N N 90 122.179 122.179 128.627 -6.448 18953 2407 1 3 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.713 0.443 18953 2408 1 3 . 1 1 90 90 LYS C C 90 177.501 177.501 173.767 3.734 18953 2409 1 3 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.469 1.343 18953 2410 1 3 . 1 1 90 90 LYS CB C 90 35.701 35.701 35.951 -0.250 18953 2411 1 3 . 1 1 90 90 LYS H H 90 9.130 9.130 8.928 0.202 18953 2412 1 3 . 1 1 91 91 MET N N 91 127.037 127.037 126.497 0.540 18953 2413 1 3 . 1 1 91 91 MET HA H 91 4.835 4.835 4.579 0.256 18953 2414 1 3 . 1 1 91 91 MET C C 91 179.276 179.276 173.939 5.337 18953 2415 1 3 . 1 1 91 91 MET CA C 91 54.527 54.527 53.863 0.664 18953 2416 1 3 . 1 1 91 91 MET CB C 91 36.920 36.920 35.802 1.118 18953 2417 1 3 . 1 1 91 91 MET H H 91 9.202 9.202 8.844 0.358 18953 2418 1 3 . 1 1 92 92 ARG N N 92 121.520 121.520 125.965 -4.445 18953 2419 1 3 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.488 0.380 18953 2420 1 3 . 1 1 92 92 ARG C C 92 177.432 177.432 174.789 2.643 18953 2421 1 3 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.048 -0.050 18953 2422 1 3 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.494 2.991 18953 2423 1 3 . 1 1 92 92 ARG H H 92 8.776 8.776 8.739 0.037 18953 2424 1 3 . 1 1 93 93 LEU N N 93 124.749 124.749 124.731 0.018 18953 2425 1 3 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.420 -0.145 18953 2426 1 3 . 1 1 93 93 LEU C C 93 176.662 176.662 175.329 1.333 18953 2427 1 3 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.657 0.039 18953 2428 1 3 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.580 0.310 18953 2429 1 3 . 1 1 93 93 LEU H H 93 8.841 8.841 8.607 0.234 18953 2430 1 3 . 1 1 94 94 TYR N N 94 116.673 116.673 120.978 -4.305 18953 2431 1 3 . 1 1 94 94 TYR HA H 94 5.424 5.424 5.049 0.375 18953 2432 1 3 . 1 1 94 94 TYR C C 94 175.232 175.232 175.630 -0.398 18953 2433 1 3 . 1 1 94 94 TYR CA C 94 57.061 57.061 56.991 0.070 18953 2434 1 3 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.717 -1.354 18953 2435 1 3 . 1 1 94 94 TYR H H 94 8.161 8.161 8.634 -0.473 18953 2436 1 3 . 1 1 95 95 GLU N N 95 121.556 121.556 123.398 -1.842 18953 2437 1 3 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.179 -0.145 18953 2438 1 3 . 1 1 95 95 GLU C C 95 174.587 174.587 176.304 -1.717 18953 2439 1 3 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.380 0.580 18953 2440 1 3 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.256 3.268 18953 2441 1 3 . 1 1 95 95 GLU H H 95 8.537 8.537 8.475 0.062 18953 2442 1 3 . 1 1 96 96 HIS N N 96 113.214 113.214 116.416 -3.202 18953 2443 1 3 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.799 0.507 18953 2444 1 3 . 1 1 96 96 HIS C C 96 175.830 175.830 174.609 1.221 18953 2445 1 3 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.628 -0.482 18953 2446 1 3 . 1 1 96 96 HIS CB C 96 33.364 33.364 31.984 1.380 18953 2447 1 3 . 1 1 96 96 HIS H H 96 8.154 8.154 7.723 0.431 18953 2448 1 3 . 1 1 97 97 SER N N 97 115.997 115.997 115.300 0.697 18953 2449 1 3 . 1 1 97 97 SER HA H 97 4.196 4.196 4.556 -0.360 18953 2450 1 3 . 1 1 97 97 SER C C 97 177.588 177.588 175.325 2.263 18953 2451 1 3 . 1 1 97 97 SER CA C 97 59.180 59.180 60.018 -0.838 18953 2452 1 3 . 1 1 97 97 SER CB C 97 63.740 63.740 64.122 -0.382 18953 2453 1 3 . 1 1 97 97 SER H H 97 8.728 8.728 8.606 0.122 18953 2454 1 3 . 1 1 98 98 ASP N N 98 116.560 116.560 121.837 -5.277 18953 2455 1 3 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.281 -0.316 18953 2456 1 3 . 1 1 98 98 ASP C C 98 176.991 176.991 175.818 1.173 18953 2457 1 3 . 1 1 98 98 ASP CA C 98 56.873 56.873 56.964 -0.091 18953 2458 1 3 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.354 0.160 18953 2459 1 3 . 1 1 98 98 ASP H H 98 9.714 9.714 8.677 1.037 18953 2460 1 3 . 1 1 99 99 MET N N 99 112.109 112.109 120.346 -8.237 18953 2461 1 3 . 1 1 99 99 MET HA H 99 2.689 2.689 4.125 -1.436 18953 2462 1 3 . 1 1 99 99 MET C C 99 176.133 176.133 174.434 1.699 18953 2463 1 3 . 1 1 99 99 MET CA C 99 56.596 56.596 53.683 2.913 18953 2464 1 3 . 1 1 99 99 MET CB C 99 27.203 27.203 32.615 -5.412 18953 2465 1 3 . 1 1 99 99 MET H H 99 8.425 8.425 8.024 0.401 18953 2466 1 3 . 1 1 100 100 GLY N N 100 104.572 104.572 107.105 -2.533 18953 2467 1 3 . 1 1 100 100 GLY C C 100 177.855 177.855 174.429 3.426 18953 2468 1 3 . 1 1 100 100 GLY CA C 100 44.345 44.345 44.057 0.288 18953 2469 1 3 . 1 1 100 100 GLY H H 100 6.670 6.670 7.516 -0.846 18953 2470 1 3 . 1 1 101 101 GLY N N 101 105.792 105.792 108.000 -2.208 18953 2471 1 3 . 1 1 101 101 GLY C C 101 177.525 177.525 173.443 4.082 18953 2472 1 3 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.214 0.892 18953 2473 1 3 . 1 1 101 101 GLY H H 101 8.446 8.446 8.030 0.416 18953 2474 1 3 . 1 1 102 102 ARG N N 102 121.688 121.688 121.564 0.124 18953 2475 1 3 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.403 -0.405 18953 2476 1 3 . 1 1 102 102 ARG C C 102 177.803 177.803 175.597 2.206 18953 2477 1 3 . 1 1 102 102 ARG CA C 102 58.368 58.368 55.348 3.020 18953 2478 1 3 . 1 1 102 102 ARG CB C 102 31.684 31.684 31.539 0.145 18953 2479 1 3 . 1 1 102 102 ARG H H 102 8.785 8.785 8.193 0.592 18953 2480 1 3 . 1 1 103 103 MET N N 103 122.371 122.371 126.691 -4.320 18953 2481 1 3 . 1 1 103 103 MET HA H 103 4.754 4.754 4.684 0.070 18953 2482 1 3 . 1 1 103 103 MET C C 103 175.490 175.490 174.785 0.705 18953 2483 1 3 . 1 1 103 103 MET CA C 103 53.993 53.993 54.664 -0.671 18953 2484 1 3 . 1 1 103 103 MET CB C 103 34.860 34.860 33.296 1.564 18953 2485 1 3 . 1 1 103 103 MET H H 103 7.905 7.905 8.571 -0.666 18953 2486 1 3 . 1 1 104 104 MET N N 104 127.629 127.629 126.183 1.446 18953 2487 1 3 . 1 1 104 104 MET HA H 104 4.318 4.318 4.689 -0.371 18953 2488 1 3 . 1 1 104 104 MET C C 104 177.870 177.870 174.284 3.586 18953 2489 1 3 . 1 1 104 104 MET CA C 104 54.080 54.080 54.303 -0.223 18953 2490 1 3 . 1 1 104 104 MET CB C 104 35.315 35.315 35.122 0.193 18953 2491 1 3 . 1 1 104 104 MET H H 104 8.796 8.796 8.274 0.522 18953 2492 1 3 . 1 1 105 105 GLU N N 105 123.753 123.753 123.261 0.492 18953 2493 1 3 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.912 -0.066 18953 2494 1 3 . 1 1 105 105 GLU C C 105 176.871 176.871 175.130 1.741 18953 2495 1 3 . 1 1 105 105 GLU CA C 105 55.688 55.688 54.791 0.897 18953 2496 1 3 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.394 2.121 18953 2497 1 3 . 1 1 105 105 GLU H H 105 8.467 8.467 8.558 -0.091 18953 2498 1 3 . 1 1 106 106 LEU N N 106 125.076 125.076 125.886 -0.810 18953 2499 1 3 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.809 0.079 18953 2500 1 3 . 1 1 106 106 LEU C C 106 175.666 175.666 175.246 0.420 18953 2501 1 3 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.418 0.482 18953 2502 1 3 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.935 1.862 18953 2503 1 3 . 1 1 106 106 LEU H H 106 8.933 8.933 8.628 0.305 18953 2504 1 3 . 1 1 107 107 MET N N 107 120.889 120.889 123.289 -2.400 18953 2505 1 3 . 1 1 107 107 MET HA H 107 5.152 5.152 4.776 0.376 18953 2506 1 3 . 1 1 107 107 MET C C 107 177.873 177.873 174.565 3.308 18953 2507 1 3 . 1 1 107 107 MET CA C 107 55.430 55.430 55.972 -0.542 18953 2508 1 3 . 1 1 107 107 MET CB C 107 35.107 35.107 33.732 1.375 18953 2509 1 3 . 1 1 107 107 MET H H 107 9.099 9.099 8.798 0.301 18953 2510 1 3 . 1 1 108 108 ASP N N 108 120.261 120.261 118.859 1.402 18953 2511 1 3 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.859 -0.410 18953 2512 1 3 . 1 1 108 108 ASP C C 108 178.998 178.998 174.995 4.003 18953 2513 1 3 . 1 1 108 108 ASP CA C 108 51.953 51.953 52.679 -0.726 18953 2514 1 3 . 1 1 108 108 ASP CB C 108 43.335 43.335 43.217 0.118 18953 2515 1 3 . 1 1 108 108 ASP H H 108 7.874 7.874 8.047 -0.173 18953 2516 1 3 . 1 1 109 109 ASP N N 109 115.191 115.191 119.007 -3.816 18953 2517 1 3 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.697 0.141 18953 2518 1 3 . 1 1 109 109 ASP C C 109 174.768 174.768 175.805 -1.037 18953 2519 1 3 . 1 1 109 109 ASP CA C 109 55.106 55.106 53.296 1.810 18953 2520 1 3 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.385 -0.327 18953 2521 1 3 . 1 1 109 109 ASP H H 109 8.065 8.065 8.467 -0.402 18953 2522 1 3 . 1 1 110 110 CYS N N 110 120.716 120.716 121.481 -0.765 18953 2523 1 3 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.925 0.214 18953 2524 1 3 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.275 0.542 18953 2525 1 3 . 1 1 110 110 CYS CB C 110 29.730 29.730 27.468 2.262 18953 2526 1 3 . 1 1 110 110 CYS H H 110 9.583 9.583 8.488 1.095 18953 2527 1 3 . 1 1 111 111 PRO HA H 111 3.971 3.971 3.755 0.216 18953 2528 1 3 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.313 -0.169 18953 2529 1 3 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.462 -0.553 18953 2530 1 3 . 1 1 112 112 ASN N N 112 116.300 116.300 115.885 0.415 18953 2531 1 3 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.785 -0.010 18953 2532 1 3 . 1 1 112 112 ASN C C 112 175.948 175.948 175.123 0.825 18953 2533 1 3 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.209 1.912 18953 2534 1 3 . 1 1 112 112 ASN CB C 112 38.709 38.709 39.009 -0.300 18953 2535 1 3 . 1 1 112 112 ASN H H 112 7.385 7.385 7.658 -0.273 18953 2536 1 3 . 1 1 113 113 LEU N N 113 129.895 129.895 124.498 5.397 18953 2537 1 3 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.197 -0.040 18953 2538 1 3 . 1 1 113 113 LEU C C 113 173.709 173.709 178.211 -4.502 18953 2539 1 3 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.838 1.051 18953 2540 1 3 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.279 0.172 18953 2541 1 3 . 1 1 113 113 LEU H H 113 8.154 8.154 8.875 -0.721 18953 2542 1 3 . 1 1 114 114 MET N N 114 120.939 120.939 120.025 0.914 18953 2543 1 3 . 1 1 114 114 MET HA H 114 4.204 4.204 4.145 0.059 18953 2544 1 3 . 1 1 114 114 MET C C 114 171.942 171.942 177.314 -5.372 18953 2545 1 3 . 1 1 114 114 MET CA C 114 58.354 58.354 58.299 0.055 18953 2546 1 3 . 1 1 114 114 MET CB C 114 31.118 31.118 32.158 -1.040 18953 2547 1 3 . 1 1 114 114 MET H H 114 8.421 8.421 8.151 0.270 18953 2548 1 3 . 1 1 115 115 ASP N N 115 119.204 119.204 117.444 1.760 18953 2549 1 3 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.488 -0.215 18953 2550 1 3 . 1 1 115 115 ASP C C 115 174.228 174.228 177.876 -3.648 18953 2551 1 3 . 1 1 115 115 ASP CA C 115 56.737 56.737 56.204 0.533 18953 2552 1 3 . 1 1 115 115 ASP CB C 115 40.621 40.621 41.182 -0.561 18953 2553 1 3 . 1 1 115 115 ASP H H 115 7.695 7.695 8.073 -0.378 18953 2554 1 3 . 1 1 116 116 ARG N N 116 116.937 116.937 118.993 -2.056 18953 2555 1 3 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.098 -0.040 18953 2556 1 3 . 1 1 116 116 ARG C C 116 174.084 174.084 177.596 -3.512 18953 2557 1 3 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.164 -0.325 18953 2558 1 3 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.612 1.487 18953 2559 1 3 . 1 1 116 116 ARG H H 116 7.118 7.118 7.527 -0.409 18953 2560 1 3 . 1 1 117 117 PHE N N 117 113.914 113.914 116.803 -2.889 18953 2561 1 3 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.692 0.433 18953 2562 1 3 . 1 1 117 117 PHE C C 117 175.681 175.681 175.395 0.286 18953 2563 1 3 . 1 1 117 117 PHE CA C 117 57.040 57.040 57.749 -0.709 18953 2564 1 3 . 1 1 117 117 PHE CB C 117 41.881 41.881 39.387 2.494 18953 2565 1 3 . 1 1 117 117 PHE H H 117 8.641 8.641 8.056 0.585 18953 2566 1 3 . 1 1 118 118 ASN N N 118 117.137 117.137 117.611 -0.474 18953 2567 1 3 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.587 0.259 18953 2568 1 3 . 1 1 118 118 ASN C C 118 177.553 177.553 174.149 3.404 18953 2569 1 3 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.212 0.826 18953 2570 1 3 . 1 1 118 118 ASN CB C 118 38.049 38.049 37.322 0.727 18953 2571 1 3 . 1 1 118 118 ASN H H 118 8.478 8.478 8.040 0.438 18953 2572 1 3 . 1 1 119 119 MET N N 119 114.316 114.316 112.554 1.762 18953 2573 1 3 . 1 1 119 119 MET HA H 119 4.386 4.386 4.687 -0.301 18953 2574 1 3 . 1 1 119 119 MET C C 119 178.321 178.321 173.488 4.833 18953 2575 1 3 . 1 1 119 119 MET CA C 119 55.950 55.950 55.081 0.869 18953 2576 1 3 . 1 1 119 119 MET CB C 119 37.233 37.233 35.219 2.014 18953 2577 1 3 . 1 1 119 119 MET H H 119 7.286 7.286 7.299 -0.013 18953 2578 1 3 . 1 1 120 120 SER N N 120 111.310 111.310 114.532 -3.222 18953 2579 1 3 . 1 1 120 120 SER HA H 120 4.682 4.682 5.048 -0.366 18953 2580 1 3 . 1 1 120 120 SER C C 120 179.047 179.047 173.394 5.653 18953 2581 1 3 . 1 1 120 120 SER CA C 120 57.435 57.435 57.921 -0.486 18953 2582 1 3 . 1 1 120 120 SER CB C 120 65.594 65.594 64.630 0.964 18953 2583 1 3 . 1 1 120 120 SER H H 120 8.361 8.361 8.415 -0.054 18953 2584 1 3 . 1 1 121 121 ASP N N 121 120.422 120.422 121.953 -1.531 18953 2585 1 3 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.628 -0.546 18953 2586 1 3 . 1 1 121 121 ASP C C 121 177.532 177.532 174.906 2.626 18953 2587 1 3 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.008 0.623 18953 2588 1 3 . 1 1 121 121 ASP CB C 121 43.513 43.513 42.137 1.376 18953 2589 1 3 . 1 1 121 121 ASP H H 121 6.829 6.829 7.429 -0.600 18953 2590 1 3 . 1 1 122 122 PHE N N 122 120.611 120.611 120.480 0.131 18953 2591 1 3 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.786 -0.091 18953 2592 1 3 . 1 1 122 122 PHE C C 122 177.316 177.316 175.415 1.901 18953 2593 1 3 . 1 1 122 122 PHE CA C 122 57.660 57.660 56.229 1.431 18953 2594 1 3 . 1 1 122 122 PHE CB C 122 40.871 40.871 39.990 0.880 18953 2595 1 3 . 1 1 122 122 PHE H H 122 8.376 8.376 8.376 0.000 18953 2596 1 3 . 1 1 123 123 HIS N N 123 116.193 116.193 119.239 -3.046 18953 2597 1 3 . 1 1 123 123 HIS HA H 123 4.765 4.765 5.034 -0.269 18953 2598 1 3 . 1 1 123 123 HIS C C 123 176.431 176.431 175.772 0.659 18953 2599 1 3 . 1 1 123 123 HIS CA C 123 57.604 57.604 55.814 1.790 18953 2600 1 3 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.012 2.268 18953 2601 1 3 . 1 1 123 123 HIS H H 123 7.577 7.577 8.692 -1.115 18953 2602 1 3 . 1 1 124 124 SER N N 124 107.332 107.332 113.568 -6.236 18953 2603 1 3 . 1 1 124 124 SER HA H 124 4.698 4.698 5.366 -0.668 18953 2604 1 3 . 1 1 124 124 SER C C 124 178.179 178.179 173.030 5.149 18953 2605 1 3 . 1 1 124 124 SER CA C 124 59.556 59.556 57.308 2.248 18953 2606 1 3 . 1 1 124 124 SER CB C 124 65.667 65.667 66.502 -0.835 18953 2607 1 3 . 1 1 124 124 SER H H 124 8.256 8.256 8.348 -0.092 18953 2608 1 3 . 1 1 125 125 CYS N N 125 113.874 113.874 118.805 -4.931 18953 2609 1 3 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.246 0.305 18953 2610 1 3 . 1 1 125 125 CYS C C 125 179.655 179.655 172.939 6.716 18953 2611 1 3 . 1 1 125 125 CYS CA C 125 57.871 57.871 58.166 -0.295 18953 2612 1 3 . 1 1 125 125 CYS CB C 125 30.586 30.586 32.668 -2.082 18953 2613 1 3 . 1 1 125 125 CYS H H 125 9.561 9.561 8.923 0.638 18953 2614 1 3 . 1 1 126 126 HIS N N 126 124.829 124.829 119.732 5.097 18953 2615 1 3 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.435 0.046 18953 2616 1 3 . 1 1 126 126 HIS C C 126 176.575 176.575 172.836 3.739 18953 2617 1 3 . 1 1 126 126 HIS CA C 126 53.307 53.307 54.772 -1.465 18953 2618 1 3 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.815 1.308 18953 2619 1 3 . 1 1 126 126 HIS H H 126 9.858 9.858 9.039 0.819 18953 2620 1 3 . 1 1 127 127 VAL N N 127 128.620 128.620 125.805 2.815 18953 2621 1 3 . 1 1 127 127 VAL HA H 127 3.874 3.874 3.944 -0.070 18953 2622 1 3 . 1 1 127 127 VAL C C 127 176.660 176.660 174.661 1.999 18953 2623 1 3 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.281 2.204 18953 2624 1 3 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.401 -2.402 18953 2625 1 3 . 1 1 127 127 VAL H H 127 9.408 9.408 8.715 0.693 18953 2626 1 3 . 1 1 128 128 MET N N 128 129.466 129.466 126.141 3.325 18953 2627 1 3 . 1 1 128 128 MET HA H 128 3.930 3.930 4.373 -0.443 18953 2628 1 3 . 1 1 128 128 MET C C 128 176.093 176.093 175.307 0.786 18953 2629 1 3 . 1 1 128 128 MET CA C 128 58.109 58.109 57.750 0.359 18953 2630 1 3 . 1 1 128 128 MET CB C 128 34.019 34.019 33.409 0.610 18953 2631 1 3 . 1 1 128 128 MET H H 128 7.906 7.906 8.224 -0.318 18953 2632 1 3 . 1 1 129 129 ASP N N 129 116.435 116.435 114.264 2.171 18953 2633 1 3 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.559 0.273 18953 2634 1 3 . 1 1 129 129 ASP C C 129 174.959 174.959 174.868 0.091 18953 2635 1 3 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.421 -0.241 18953 2636 1 3 . 1 1 129 129 ASP CB C 129 45.131 45.131 43.302 1.829 18953 2637 1 3 . 1 1 129 129 ASP H H 129 8.349 8.349 7.453 0.896 18953 2638 1 3 . 1 1 130 130 GLY N N 130 113.062 113.062 107.776 5.286 18953 2639 1 3 . 1 1 130 130 GLY C C 130 183.642 183.642 171.390 12.252 18953 2640 1 3 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.265 0.207 18953 2641 1 3 . 1 1 130 130 GLY H H 130 8.479 8.479 8.178 0.301 18953 2642 1 3 . 1 1 131 131 HIS N N 131 114.389 114.389 119.444 -5.055 18953 2643 1 3 . 1 1 131 131 HIS HA H 131 5.002 5.002 5.100 -0.098 18953 2644 1 3 . 1 1 131 131 HIS C C 131 176.470 176.470 173.748 2.722 18953 2645 1 3 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.398 0.920 18953 2646 1 3 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.846 1.189 18953 2647 1 3 . 1 1 131 131 HIS H H 131 6.228 6.228 8.057 -1.829 18953 2648 1 3 . 1 1 132 132 TRP N N 132 122.333 122.333 122.351 -0.018 18953 2649 1 3 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.176 -0.041 18953 2650 1 3 . 1 1 132 132 TRP C C 132 177.557 177.557 174.781 2.776 18953 2651 1 3 . 1 1 132 132 TRP CA C 132 56.896 56.896 56.085 0.811 18953 2652 1 3 . 1 1 132 132 TRP CB C 132 33.795 33.795 32.249 1.546 18953 2653 1 3 . 1 1 132 132 TRP H H 132 8.838 8.838 9.161 -0.323 18953 2654 1 3 . 1 1 133 133 LEU N N 133 121.883 121.883 122.776 -0.893 18953 2655 1 3 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.198 -0.076 18953 2656 1 3 . 1 1 133 133 LEU C C 133 176.457 176.457 176.110 0.347 18953 2657 1 3 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.219 -0.683 18953 2658 1 3 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.737 2.833 18953 2659 1 3 . 1 1 133 133 LEU H H 133 9.403 9.403 9.168 0.235 18953 2660 1 3 . 1 1 134 134 VAL N N 134 123.013 123.013 122.054 0.959 18953 2661 1 3 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.542 0.017 18953 2662 1 3 . 1 1 134 134 VAL C C 134 177.780 177.780 174.817 2.963 18953 2663 1 3 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.089 -0.140 18953 2664 1 3 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.699 -0.610 18953 2665 1 3 . 1 1 134 134 VAL H H 134 8.948 8.948 9.139 -0.191 18953 2666 1 3 . 1 1 135 135 TYR N N 135 122.405 122.405 125.247 -2.842 18953 2667 1 3 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.913 0.627 18953 2668 1 3 . 1 1 135 135 TYR C C 135 172.456 172.456 176.075 -3.619 18953 2669 1 3 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.689 -0.692 18953 2670 1 3 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.378 -0.633 18953 2671 1 3 . 1 1 135 135 TYR H H 135 9.068 9.068 9.567 -0.499 18953 2672 1 3 . 1 1 136 136 GLU N N 136 121.335 121.335 124.596 -3.261 18953 2673 1 3 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.324 -0.221 18953 2674 1 3 . 1 1 136 136 GLU C C 136 176.022 176.022 176.722 -0.700 18953 2675 1 3 . 1 1 136 136 GLU CA C 136 59.896 59.896 59.044 0.852 18953 2676 1 3 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.532 2.395 18953 2677 1 3 . 1 1 136 136 GLU H H 136 9.360 9.360 8.420 0.940 18953 2678 1 3 . 1 1 137 137 GLN N N 137 111.530 111.530 116.154 -4.624 18953 2679 1 3 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.782 0.185 18953 2680 1 3 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.657 0.176 18953 2681 1 3 . 1 1 137 137 GLN CB C 137 29.142 29.142 31.481 -2.339 18953 2682 1 3 . 1 1 137 137 GLN H H 137 7.808 7.808 8.055 -0.247 18953 2683 1 3 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.173 -0.031 18953 2684 1 3 . 1 1 138 138 PRO C C 138 176.607 176.607 176.980 -0.373 18953 2685 1 3 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.321 -0.860 18953 2686 1 3 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.477 0.716 18953 2687 1 3 . 1 1 139 139 ASN N N 139 113.240 113.240 115.943 -2.703 18953 2688 1 3 . 1 1 139 139 ASN HA H 139 3.356 3.356 4.006 -0.650 18953 2689 1 3 . 1 1 139 139 ASN C C 139 177.996 177.996 174.057 3.939 18953 2690 1 3 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.254 -0.007 18953 2691 1 3 . 1 1 139 139 ASN CB C 139 36.635 36.635 36.875 -0.240 18953 2692 1 3 . 1 1 139 139 ASN H H 139 9.683 9.683 8.197 1.486 18953 2693 1 3 . 1 1 140 140 TYR N N 140 113.289 113.289 109.357 3.932 18953 2694 1 3 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.195 -0.435 18953 2695 1 3 . 1 1 140 140 TYR C C 140 176.488 176.488 174.520 1.968 18953 2696 1 3 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.591 -3.295 18953 2697 1 3 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.747 -0.787 18953 2698 1 3 . 1 1 140 140 TYR H H 140 8.000 8.000 7.738 0.262 18953 2699 1 3 . 1 1 141 141 THR N N 141 108.766 108.766 113.824 -5.058 18953 2700 1 3 . 1 1 141 141 THR HA H 141 4.697 4.697 4.780 -0.083 18953 2701 1 3 . 1 1 141 141 THR C C 141 178.578 178.578 173.484 5.094 18953 2702 1 3 . 1 1 141 141 THR CA C 141 60.128 60.128 61.412 -1.284 18953 2703 1 3 . 1 1 141 141 THR CB C 141 72.848 72.848 72.442 0.406 18953 2704 1 3 . 1 1 141 141 THR H H 141 6.280 6.280 7.888 -1.608 18953 2705 1 3 . 1 1 142 142 GLY N N 142 106.121 106.121 108.366 -2.245 18953 2706 1 3 . 1 1 142 142 GLY C C 142 177.117 177.117 173.138 3.979 18953 2707 1 3 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.663 -0.496 18953 2708 1 3 . 1 1 142 142 GLY H H 142 8.285 8.285 8.287 -0.002 18953 2709 1 3 . 1 1 143 143 ARG N N 143 120.212 120.212 121.362 -1.150 18953 2710 1 3 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.831 0.105 18953 2711 1 3 . 1 1 143 143 ARG C C 143 177.580 177.580 175.829 1.751 18953 2712 1 3 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.798 1.322 18953 2713 1 3 . 1 1 143 143 ARG CB C 143 31.156 31.156 30.042 1.114 18953 2714 1 3 . 1 1 143 143 ARG H H 143 8.583 8.583 8.345 0.238 18953 2715 1 3 . 1 1 144 144 GLN N N 144 119.516 119.516 121.681 -2.165 18953 2716 1 3 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.780 0.111 18953 2717 1 3 . 1 1 144 144 GLN C C 144 176.985 176.985 175.220 1.765 18953 2718 1 3 . 1 1 144 144 GLN CA C 144 53.322 53.322 55.021 -1.699 18953 2719 1 3 . 1 1 144 144 GLN CB C 144 32.645 32.645 29.414 3.231 18953 2720 1 3 . 1 1 144 144 GLN H H 144 7.552 7.552 7.918 -0.366 18953 2721 1 3 . 1 1 145 145 PHE N N 145 114.745 114.745 121.725 -6.980 18953 2722 1 3 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.813 -0.156 18953 2723 1 3 . 1 1 145 145 PHE C C 145 176.969 176.969 174.898 2.071 18953 2724 1 3 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.678 -0.772 18953 2725 1 3 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.775 -0.508 18953 2726 1 3 . 1 1 145 145 PHE H H 145 8.696 8.696 8.935 -0.239 18953 2727 1 3 . 1 1 146 146 TYR N N 146 124.271 124.271 127.346 -3.075 18953 2728 1 3 . 1 1 146 146 TYR HA H 146 5.274 5.274 5.005 0.269 18953 2729 1 3 . 1 1 146 146 TYR C C 146 176.212 176.212 174.228 1.984 18953 2730 1 3 . 1 1 146 146 TYR CA C 146 55.740 55.740 56.316 -0.576 18953 2731 1 3 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.100 0.134 18953 2732 1 3 . 1 1 146 146 TYR H H 146 8.915 8.915 9.025 -0.110 18953 2733 1 3 . 1 1 147 147 LEU N N 147 103.207 103.207 130.055 -26.848 18953 2734 1 3 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.436 -0.045 18953 2735 1 3 . 1 1 147 147 LEU C C 147 178.198 178.198 175.544 2.654 18953 2736 1 3 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.048 0.921 18953 2737 1 3 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.597 1.548 18953 2738 1 3 . 1 1 147 147 LEU H H 147 9.229 9.229 9.078 0.151 18953 2739 1 3 . 1 1 148 148 ARG N N 148 120.815 120.815 123.999 -3.184 18953 2740 1 3 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.971 -0.392 18953 2741 1 3 . 1 1 148 148 ARG CA C 148 52.994 52.994 53.038 -0.044 18953 2742 1 3 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.819 -0.563 18953 2743 1 3 . 1 1 148 148 ARG H H 148 6.955 6.955 8.623 -1.668 18953 2744 1 3 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.322 -0.136 18953 2745 1 3 . 1 1 149 149 PRO C C 149 175.154 175.154 176.974 -1.820 18953 2746 1 3 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.421 1.434 18953 2747 1 3 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.961 -0.324 18953 2748 1 3 . 1 1 150 150 GLY N N 150 111.695 111.695 108.708 2.987 18953 2749 1 3 . 1 1 150 150 GLY C C 150 179.740 179.740 172.166 7.574 18953 2750 1 3 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.455 0.158 18953 2751 1 3 . 1 1 150 150 GLY H H 150 8.965 8.965 7.919 1.046 18953 2752 1 3 . 1 1 151 151 GLU N N 151 118.822 118.822 120.020 -1.198 18953 2753 1 3 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.773 -0.450 18953 2754 1 3 . 1 1 151 151 GLU C C 151 176.078 176.078 175.262 0.816 18953 2755 1 3 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.651 0.902 18953 2756 1 3 . 1 1 151 151 GLU CB C 151 31.878 31.878 31.654 0.224 18953 2757 1 3 . 1 1 151 151 GLU H H 151 8.403 8.403 8.289 0.114 18953 2758 1 3 . 1 1 152 152 TYR N N 152 123.055 123.055 121.920 1.135 18953 2759 1 3 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.995 -0.255 18953 2760 1 3 . 1 1 152 152 TYR C C 152 176.413 176.413 176.456 -0.043 18953 2761 1 3 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.419 -0.449 18953 2762 1 3 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.151 -2.377 18953 2763 1 3 . 1 1 152 152 TYR H H 152 8.859 8.859 9.488 -0.629 18953 2764 1 3 . 1 1 153 153 ARG N N 153 124.271 124.271 117.699 6.572 18953 2765 1 3 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.680 -0.664 18953 2766 1 3 . 1 1 153 153 ARG C C 153 176.727 176.727 175.301 1.426 18953 2767 1 3 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.859 4.345 18953 2768 1 3 . 1 1 153 153 ARG CB C 153 30.340 30.340 31.962 -1.621 18953 2769 1 3 . 1 1 153 153 ARG H H 153 8.882 8.882 9.249 -0.367 18953 2770 1 3 . 1 1 154 154 SER N N 154 111.500 111.500 113.140 -1.640 18953 2771 1 3 . 1 1 154 154 SER HA H 154 5.194 5.194 4.505 0.689 18953 2772 1 3 . 1 1 154 154 SER C C 154 176.379 176.379 173.553 2.826 18953 2773 1 3 . 1 1 154 154 SER CA C 154 56.894 56.894 56.763 0.131 18953 2774 1 3 . 1 1 154 154 SER CB C 154 66.352 66.352 65.943 0.409 18953 2775 1 3 . 1 1 154 154 SER H H 154 8.070 8.070 7.646 0.424 18953 2776 1 3 . 1 1 155 155 TYR N N 155 119.386 119.386 121.305 -1.919 18953 2777 1 3 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.256 -2.093 18953 2778 1 3 . 1 1 155 155 TYR C C 155 174.639 174.639 176.683 -2.044 18953 2779 1 3 . 1 1 155 155 TYR CA C 155 57.369 57.369 60.712 -3.343 18953 2780 1 3 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.425 0.974 18953 2781 1 3 . 1 1 155 155 TYR H H 155 7.638 7.638 7.323 0.315 18953 2782 1 3 . 1 1 156 156 ASN N N 156 119.038 119.038 114.154 4.884 18953 2783 1 3 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.419 -0.299 18953 2784 1 3 . 1 1 156 156 ASN C C 156 172.889 172.889 174.977 -2.088 18953 2785 1 3 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.410 2.186 18953 2786 1 3 . 1 1 156 156 ASN CB C 156 38.621 38.621 37.219 1.402 18953 2787 1 3 . 1 1 156 156 ASN H H 156 6.819 6.819 7.888 -1.069 18953 2788 1 3 . 1 1 157 157 ASP N N 157 118.338 118.338 120.905 -2.567 18953 2789 1 3 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.470 0.111 18953 2790 1 3 . 1 1 157 157 ASP C C 157 173.908 173.908 176.754 -2.846 18953 2791 1 3 . 1 1 157 157 ASP CA C 157 57.382 57.382 57.134 0.248 18953 2792 1 3 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.493 0.134 18953 2793 1 3 . 1 1 157 157 ASP H H 157 7.791 7.791 7.732 0.059 18953 2794 1 3 . 1 1 158 158 TRP N N 158 114.610 114.610 118.428 -3.818 18953 2795 1 3 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.906 0.428 18953 2796 1 3 . 1 1 158 158 TRP C C 158 175.711 175.711 176.523 -0.812 18953 2797 1 3 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.532 0.537 18953 2798 1 3 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.908 -0.789 18953 2799 1 3 . 1 1 158 158 TRP H H 158 7.000 7.000 6.770 0.230 18953 2800 1 3 . 1 1 159 159 GLY N N 159 108.647 108.647 108.337 0.310 18953 2801 1 3 . 1 1 159 159 GLY C C 159 175.991 175.991 174.208 1.783 18953 2802 1 3 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.366 0.366 18953 2803 1 3 . 1 1 159 159 GLY H H 159 7.588 7.588 7.860 -0.272 18953 2804 1 3 . 1 1 160 160 GLY N N 160 107.348 107.348 106.271 1.077 18953 2805 1 3 . 1 1 160 160 GLY C C 160 178.604 178.604 172.882 5.722 18953 2806 1 3 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.579 1.777 18953 2807 1 3 . 1 1 160 160 GLY H H 160 7.326 7.326 7.821 -0.495 18953 2808 1 3 . 1 1 161 161 VAL N N 161 118.047 118.047 115.164 2.883 18953 2809 1 3 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.327 -0.075 18953 2810 1 3 . 1 1 161 161 VAL C C 161 175.118 175.118 175.961 -0.843 18953 2811 1 3 . 1 1 161 161 VAL CA C 161 63.303 63.303 62.769 0.534 18953 2812 1 3 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.879 -1.044 18953 2813 1 3 . 1 1 161 161 VAL H H 161 8.697 8.697 8.422 0.275 18953 2814 1 3 . 1 1 162 162 THR N N 162 111.630 111.630 109.513 2.117 18953 2815 1 3 . 1 1 162 162 THR HA H 162 3.659 3.659 4.116 -0.457 18953 2816 1 3 . 1 1 162 162 THR C C 162 179.191 179.191 174.013 5.178 18953 2817 1 3 . 1 1 162 162 THR CA C 162 59.431 59.431 60.030 -0.599 18953 2818 1 3 . 1 1 162 162 THR CB C 162 71.935 71.935 71.077 0.858 18953 2819 1 3 . 1 1 162 162 THR H H 162 7.864 7.864 7.455 0.409 18953 2820 1 3 . 1 1 163 163 SER N N 163 112.275 112.275 114.241 -1.966 18953 2821 1 3 . 1 1 163 163 SER HA H 163 4.018 4.018 4.791 -0.773 18953 2822 1 3 . 1 1 163 163 SER C C 163 178.307 178.307 174.343 3.964 18953 2823 1 3 . 1 1 163 163 SER CA C 163 57.968 57.968 57.257 0.711 18953 2824 1 3 . 1 1 163 163 SER CB C 163 63.093 63.093 63.839 -0.746 18953 2825 1 3 . 1 1 163 163 SER H H 163 7.502 7.502 8.555 -1.053 18953 2826 1 3 . 1 1 164 164 ARG N N 164 122.770 122.770 124.230 -1.460 18953 2827 1 3 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.668 -0.243 18953 2828 1 3 . 1 1 164 164 ARG C C 164 175.003 175.003 175.442 -0.439 18953 2829 1 3 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.677 0.460 18953 2830 1 3 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.845 1.608 18953 2831 1 3 . 1 1 164 164 ARG H H 164 7.578 7.578 7.608 -0.030 18953 2832 1 3 . 1 1 165 165 MET N N 165 122.454 122.454 121.752 0.702 18953 2833 1 3 . 1 1 165 165 MET HA H 165 4.620 4.620 4.933 -0.313 18953 2834 1 3 . 1 1 165 165 MET C C 165 177.244 177.244 175.807 1.437 18953 2835 1 3 . 1 1 165 165 MET CA C 165 56.192 56.192 55.399 0.793 18953 2836 1 3 . 1 1 165 165 MET CB C 165 37.269 37.269 33.928 3.341 18953 2837 1 3 . 1 1 165 165 MET H H 165 8.480 8.480 8.821 -0.341 18953 2838 1 3 . 1 1 166 166 GLY N N 166 107.987 107.987 109.908 -1.921 18953 2839 1 3 . 1 1 166 166 GLY C C 166 177.648 177.648 173.379 4.269 18953 2840 1 3 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.686 1.006 18953 2841 1 3 . 1 1 166 166 GLY H H 166 9.046 9.046 8.679 0.367 18953 2842 1 3 . 1 1 167 167 SER N N 167 113.024 113.024 115.889 -2.865 18953 2843 1 3 . 1 1 167 167 SER HA H 167 4.562 4.562 5.675 -1.113 18953 2844 1 3 . 1 1 167 167 SER C C 167 179.104 179.104 172.669 6.435 18953 2845 1 3 . 1 1 167 167 SER CA C 167 58.729 58.729 56.339 2.390 18953 2846 1 3 . 1 1 167 167 SER CB C 167 64.816 64.816 65.504 -0.688 18953 2847 1 3 . 1 1 167 167 SER H H 167 8.257 8.257 7.981 0.276 18953 2848 1 3 . 1 1 168 168 ILE N N 168 118.927 118.927 121.729 -2.802 18953 2849 1 3 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.085 0.423 18953 2850 1 3 . 1 1 168 168 ILE C C 168 177.783 177.783 173.891 3.892 18953 2851 1 3 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.884 0.277 18953 2852 1 3 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.292 0.918 18953 2853 1 3 . 1 1 168 168 ILE H H 168 8.922 8.922 9.127 -0.205 18953 2854 1 3 . 1 1 169 169 ARG N N 169 124.820 124.820 124.783 0.037 18953 2855 1 3 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.882 0.163 18953 2856 1 3 . 1 1 169 169 ARG C C 169 177.350 177.350 173.901 3.449 18953 2857 1 3 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.259 -0.074 18953 2858 1 3 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.600 0.391 18953 2859 1 3 . 1 1 169 169 ARG H H 169 9.757 9.757 9.210 0.547 18953 2860 1 3 . 1 1 170 170 ARG N N 170 122.951 122.951 127.015 -4.064 18953 2861 1 3 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.758 -0.493 18953 2862 1 3 . 1 1 170 170 ARG C C 170 174.373 174.373 175.230 -0.857 18953 2863 1 3 . 1 1 170 170 ARG CA C 170 55.170 55.170 54.046 1.124 18953 2864 1 3 . 1 1 170 170 ARG CB C 170 30.150 30.150 29.342 0.808 18953 2865 1 3 . 1 1 170 170 ARG H H 170 8.552 8.552 8.547 0.005 18953 2866 1 3 . 1 1 171 171 ILE N N 171 123.280 123.280 127.693 -4.413 18953 2867 1 3 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.667 0.135 18953 2868 1 3 . 1 1 171 171 ILE C C 171 177.088 177.088 175.904 1.184 18953 2869 1 3 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.556 0.005 18953 2870 1 3 . 1 1 171 171 ILE CB C 171 36.326 36.326 37.925 -1.599 18953 2871 1 3 . 1 1 171 171 ILE H H 171 8.424 8.424 8.204 0.220 18953 2872 1 3 . 1 1 172 172 THR N N 172 117.270 117.270 123.982 -6.712 18953 2873 1 3 . 1 1 172 172 THR HA H 172 4.558 4.558 4.103 0.455 18953 2874 1 3 . 1 1 172 172 THR C C 172 177.651 177.651 173.327 4.324 18953 2875 1 3 . 1 1 172 172 THR CA C 172 60.095 60.095 61.582 -1.487 18953 2876 1 3 . 1 1 172 172 THR CB C 172 70.040 70.040 67.973 2.067 18953 2877 1 3 . 1 1 172 172 THR H H 172 7.299 7.299 8.175 -0.876 18953 2878 1 3 . 1 1 173 173 ASP N N 173 121.598 121.598 125.138 -3.540 18953 2879 1 3 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.814 -0.369 18953 2880 1 3 . 1 1 173 173 ASP C C 173 177.041 177.041 175.696 1.345 18953 2881 1 3 . 1 1 173 173 ASP CA C 173 55.010 55.010 52.426 2.584 18953 2882 1 3 . 1 1 173 173 ASP CB C 173 41.524 41.524 40.426 1.098 18953 2883 1 3 . 1 1 173 173 ASP H H 173 8.477 8.477 8.100 0.377 18953 2884 1 4 . 1 1 2 2 GLY C C 2 182.782 182.782 172.575 10.207 18953 2885 1 4 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.601 -2.054 18953 2886 1 4 . 1 1 3 3 LYS N N 3 120.153 120.153 120.814 -0.661 18953 2887 1 4 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.610 0.405 18953 2888 1 4 . 1 1 3 3 LYS C C 3 179.140 179.140 173.693 5.447 18953 2889 1 4 . 1 1 3 3 LYS CA C 3 57.310 57.310 56.046 1.264 18953 2890 1 4 . 1 1 3 3 LYS CB C 3 35.698 35.698 37.107 -1.409 18953 2891 1 4 . 1 1 3 3 LYS H H 3 8.398 8.398 8.220 0.178 18953 2892 1 4 . 1 1 4 4 ILE N N 4 129.769 129.769 122.622 7.147 18953 2893 1 4 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.844 -0.238 18953 2894 1 4 . 1 1 4 4 ILE C C 4 180.618 180.618 173.124 7.494 18953 2895 1 4 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.943 -0.543 18953 2896 1 4 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.526 -0.506 18953 2897 1 4 . 1 1 4 4 ILE H H 4 8.871 8.871 8.491 0.380 18953 2898 1 4 . 1 1 5 5 ILE N N 5 125.103 125.103 127.520 -2.417 18953 2899 1 4 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.925 -0.417 18953 2900 1 4 . 1 1 5 5 ILE C C 5 177.516 177.516 175.047 2.469 18953 2901 1 4 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.579 1.250 18953 2902 1 4 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.245 0.172 18953 2903 1 4 . 1 1 5 5 ILE H H 5 8.788 8.788 8.887 -0.099 18953 2904 1 4 . 1 1 6 6 PHE N N 6 125.558 125.558 125.595 -0.037 18953 2905 1 4 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.713 -0.090 18953 2906 1 4 . 1 1 6 6 PHE C C 6 176.512 176.512 175.263 1.249 18953 2907 1 4 . 1 1 6 6 PHE CA C 6 57.219 57.219 57.468 -0.249 18953 2908 1 4 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.199 0.284 18953 2909 1 4 . 1 1 6 6 PHE H H 6 8.540 8.540 9.119 -0.579 18953 2910 1 4 . 1 1 7 7 TYR N N 7 120.647 120.647 117.824 2.823 18953 2911 1 4 . 1 1 7 7 TYR HA H 7 5.171 5.171 4.943 0.228 18953 2912 1 4 . 1 1 7 7 TYR C C 7 173.898 173.898 174.923 -1.025 18953 2913 1 4 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.961 -0.515 18953 2914 1 4 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.447 -3.138 18953 2915 1 4 . 1 1 7 7 TYR H H 7 8.889 8.889 9.098 -0.209 18953 2916 1 4 . 1 1 8 8 GLU N N 8 122.007 122.007 122.928 -0.921 18953 2917 1 4 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.214 -0.033 18953 2918 1 4 . 1 1 8 8 GLU C C 8 174.881 174.881 176.967 -2.086 18953 2919 1 4 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.241 1.825 18953 2920 1 4 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.620 1.432 18953 2921 1 4 . 1 1 8 8 GLU H H 8 8.756 8.756 8.644 0.112 18953 2922 1 4 . 1 1 9 9 ASP N N 9 114.203 114.203 120.593 -6.390 18953 2923 1 4 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.607 0.615 18953 2924 1 4 . 1 1 9 9 ASP CA C 9 52.366 52.366 54.500 -2.134 18953 2925 1 4 . 1 1 9 9 ASP CB C 9 43.436 43.436 41.273 2.163 18953 2926 1 4 . 1 1 9 9 ASP H H 9 7.977 7.977 7.925 0.052 18953 2927 1 4 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.278 -1.159 18953 2928 1 4 . 1 1 11 11 ASN CA C 11 56.660 56.660 54.861 1.800 18953 2929 1 4 . 1 1 11 11 ASN CB C 11 35.050 35.050 38.224 -3.174 18953 2930 1 4 . 1 1 13 13 GLY C C 13 178.281 178.281 173.843 4.438 18953 2931 1 4 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.461 -0.014 18953 2932 1 4 . 1 1 14 14 GLY N N 14 105.348 105.348 108.738 -3.390 18953 2933 1 4 . 1 1 14 14 GLY C C 14 176.463 176.463 173.974 2.489 18953 2934 1 4 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.000 0.111 18953 2935 1 4 . 1 1 14 14 GLY H H 14 8.261 8.261 7.963 0.298 18953 2936 1 4 . 1 1 15 15 ARG N N 15 119.637 119.637 124.827 -5.190 18953 2937 1 4 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.429 -0.218 18953 2938 1 4 . 1 1 15 15 ARG C C 15 176.574 176.574 176.001 0.573 18953 2939 1 4 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.202 1.130 18953 2940 1 4 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.875 0.537 18953 2941 1 4 . 1 1 15 15 ARG H H 15 8.579 8.579 8.298 0.281 18953 2942 1 4 . 1 1 16 16 TYR N N 16 114.846 114.846 123.821 -8.975 18953 2943 1 4 . 1 1 16 16 TYR HA H 16 5.858 5.858 4.905 0.953 18953 2944 1 4 . 1 1 16 16 TYR C C 16 176.510 176.510 174.427 2.083 18953 2945 1 4 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.768 -0.155 18953 2946 1 4 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.294 2.124 18953 2947 1 4 . 1 1 16 16 TYR H H 16 7.617 7.617 8.082 -0.465 18953 2948 1 4 . 1 1 17 17 HIS N N 17 118.443 118.443 121.264 -2.821 18953 2949 1 4 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.856 -0.046 18953 2950 1 4 . 1 1 17 17 HIS C C 17 177.970 177.970 173.471 4.499 18953 2951 1 4 . 1 1 17 17 HIS CA C 17 55.562 55.562 54.909 0.653 18953 2952 1 4 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.436 0.168 18953 2953 1 4 . 1 1 17 17 HIS H H 17 8.785 8.785 8.440 0.345 18953 2954 1 4 . 1 1 18 18 GLU N N 18 126.223 126.223 126.085 0.138 18953 2955 1 4 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.527 0.311 18953 2956 1 4 . 1 1 18 18 GLU C C 18 176.504 176.504 175.159 1.345 18953 2957 1 4 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.303 -0.204 18953 2958 1 4 . 1 1 18 18 GLU CB C 18 32.122 32.122 29.891 2.231 18953 2959 1 4 . 1 1 18 18 GLU H H 18 8.529 8.529 8.822 -0.293 18953 2960 1 4 . 1 1 19 19 CYS N N 19 121.383 121.383 124.408 -3.025 18953 2961 1 4 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.691 -0.035 18953 2962 1 4 . 1 1 19 19 CYS C C 19 178.018 178.018 174.239 3.779 18953 2963 1 4 . 1 1 19 19 CYS CA C 19 58.777 58.777 57.837 0.940 18953 2964 1 4 . 1 1 19 19 CYS CB C 19 29.812 29.812 31.085 -1.273 18953 2965 1 4 . 1 1 19 19 CYS H H 19 9.163 9.163 8.959 0.204 18953 2966 1 4 . 1 1 20 20 MET N N 20 126.877 126.877 119.562 7.315 18953 2967 1 4 . 1 1 20 20 MET HA H 20 5.295 5.295 4.878 0.417 18953 2968 1 4 . 1 1 20 20 MET C C 20 176.776 176.776 174.787 1.989 18953 2969 1 4 . 1 1 20 20 MET CA C 20 55.260 55.260 55.705 -0.445 18953 2970 1 4 . 1 1 20 20 MET CB C 20 33.370 33.370 33.312 0.058 18953 2971 1 4 . 1 1 20 20 MET H H 20 8.995 8.995 8.736 0.259 18953 2972 1 4 . 1 1 21 21 SER N N 21 179.042 179.042 114.704 64.338 18953 2973 1 4 . 1 1 21 21 SER HA H 21 4.658 4.658 4.770 -0.112 18953 2974 1 4 . 1 1 21 21 SER C C 21 179.042 179.042 172.978 6.064 18953 2975 1 4 . 1 1 21 21 SER CA C 21 57.586 57.586 57.739 -0.153 18953 2976 1 4 . 1 1 21 21 SER CB C 21 65.782 65.782 64.950 0.832 18953 2977 1 4 . 1 1 21 21 SER H H 21 7.990 7.990 7.577 0.413 18953 2978 1 4 . 1 1 22 22 ASP N N 22 117.203 117.203 123.362 -6.159 18953 2979 1 4 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.473 0.478 18953 2980 1 4 . 1 1 22 22 ASP C C 22 173.564 173.564 175.293 -1.729 18953 2981 1 4 . 1 1 22 22 ASP CA C 22 55.471 55.471 55.494 -0.023 18953 2982 1 4 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.904 0.915 18953 2983 1 4 . 1 1 22 22 ASP H H 22 8.317 8.317 8.539 -0.222 18953 2984 1 4 . 1 1 23 23 CYS N N 23 121.308 121.308 120.881 0.427 18953 2985 1 4 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.795 -0.004 18953 2986 1 4 . 1 1 23 23 CYS C C 23 177.265 177.265 173.939 3.326 18953 2987 1 4 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.718 2.245 18953 2988 1 4 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.331 -0.919 18953 2989 1 4 . 1 1 23 23 CYS H H 23 9.410 9.410 8.853 0.557 18953 2990 1 4 . 1 1 24 24 ALA N N 24 131.693 131.693 130.291 1.402 18953 2991 1 4 . 1 1 24 24 ALA HA H 24 3.522 3.522 4.140 -0.618 18953 2992 1 4 . 1 1 24 24 ALA C C 24 175.455 175.455 175.617 -0.162 18953 2993 1 4 . 1 1 24 24 ALA CA C 24 54.614 54.614 51.941 2.673 18953 2994 1 4 . 1 1 24 24 ALA CB C 24 19.175 19.175 18.898 0.277 18953 2995 1 4 . 1 1 24 24 ALA H H 24 9.210 9.210 8.807 0.403 18953 2996 1 4 . 1 1 25 25 ASP N N 25 113.873 113.873 118.831 -4.958 18953 2997 1 4 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.816 0.079 18953 2998 1 4 . 1 1 25 25 ASP C C 25 174.970 174.970 174.425 0.545 18953 2999 1 4 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.912 0.008 18953 3000 1 4 . 1 1 25 25 ASP CB C 25 40.564 40.564 41.580 -1.016 18953 3001 1 4 . 1 1 25 25 ASP H H 25 7.524 7.524 7.481 0.043 18953 3002 1 4 . 1 1 26 26 LEU N N 26 127.166 127.166 123.174 3.992 18953 3003 1 4 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.284 -0.285 18953 3004 1 4 . 1 1 26 26 LEU C C 26 173.727 173.727 177.370 -3.643 18953 3005 1 4 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.706 1.445 18953 3006 1 4 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.807 -0.448 18953 3007 1 4 . 1 1 26 26 LEU H H 26 8.495 8.495 8.452 0.043 18953 3008 1 4 . 1 1 27 27 HIS N N 27 118.732 118.732 120.331 -1.599 18953 3009 1 4 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.412 0.125 18953 3010 1 4 . 1 1 27 27 HIS C C 27 175.667 175.667 175.968 -0.301 18953 3011 1 4 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.371 -1.578 18953 3012 1 4 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.451 -1.413 18953 3013 1 4 . 1 1 27 27 HIS H H 27 8.446 8.446 8.181 0.265 18953 3014 1 4 . 1 1 28 28 SER N N 28 112.598 112.598 113.226 -0.628 18953 3015 1 4 . 1 1 28 28 SER HA H 28 3.792 3.792 4.154 -0.362 18953 3016 1 4 . 1 1 28 28 SER C C 28 177.551 177.551 176.093 1.458 18953 3017 1 4 . 1 1 28 28 SER CA C 28 60.406 60.406 61.110 -0.704 18953 3018 1 4 . 1 1 28 28 SER CB C 28 62.814 62.814 62.828 -0.014 18953 3019 1 4 . 1 1 28 28 SER H H 28 7.237 7.237 8.222 -0.985 18953 3020 1 4 . 1 1 29 29 TYR N N 29 118.301 118.301 119.283 -0.982 18953 3021 1 4 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.110 0.192 18953 3022 1 4 . 1 1 29 29 TYR C C 29 176.283 176.283 175.562 0.721 18953 3023 1 4 . 1 1 29 29 TYR CA C 29 58.668 58.668 61.010 -2.342 18953 3024 1 4 . 1 1 29 29 TYR CB C 29 39.471 39.471 39.108 0.363 18953 3025 1 4 . 1 1 29 29 TYR H H 29 7.224 7.224 7.782 -0.558 18953 3026 1 4 . 1 1 30 30 PHE N N 30 112.713 112.713 109.660 3.053 18953 3027 1 4 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.732 -0.050 18953 3028 1 4 . 1 1 30 30 PHE C C 30 177.785 177.785 174.661 3.124 18953 3029 1 4 . 1 1 30 30 PHE CA C 30 55.924 55.924 55.469 0.455 18953 3030 1 4 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.231 -0.487 18953 3031 1 4 . 1 1 30 30 PHE H H 30 7.173 7.173 7.489 -0.316 18953 3032 1 4 . 1 1 31 31 ASN N N 31 115.959 115.959 120.076 -4.117 18953 3033 1 4 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.217 0.493 18953 3034 1 4 . 1 1 31 31 ASN C C 31 176.537 176.537 174.077 2.460 18953 3035 1 4 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.248 0.303 18953 3036 1 4 . 1 1 31 31 ASN CB C 31 40.056 40.056 38.807 1.249 18953 3037 1 4 . 1 1 31 31 ASN H H 31 8.918 8.918 8.783 0.135 18953 3038 1 4 . 1 1 32 32 ARG N N 32 117.693 117.693 115.183 2.510 18953 3039 1 4 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.572 0.055 18953 3040 1 4 . 1 1 32 32 ARG C C 32 178.177 178.177 173.393 4.784 18953 3041 1 4 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.190 -0.034 18953 3042 1 4 . 1 1 32 32 ARG CB C 32 33.091 33.091 32.538 0.553 18953 3043 1 4 . 1 1 32 32 ARG H H 32 7.893 7.893 7.736 0.157 18953 3044 1 4 . 1 1 33 33 CYS N N 33 119.494 119.494 121.681 -2.187 18953 3045 1 4 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.667 0.285 18953 3046 1 4 . 1 1 33 33 CYS C C 33 176.223 176.223 173.624 2.599 18953 3047 1 4 . 1 1 33 33 CYS CA C 33 58.307 58.307 58.355 -0.048 18953 3048 1 4 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.492 -0.741 18953 3049 1 4 . 1 1 33 33 CYS H H 33 8.161 8.161 8.690 -0.529 18953 3050 1 4 . 1 1 34 34 HIS N N 34 126.786 126.786 124.327 2.459 18953 3051 1 4 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.472 0.550 18953 3052 1 4 . 1 1 34 34 HIS C C 34 176.224 176.224 174.574 1.650 18953 3053 1 4 . 1 1 34 34 HIS CA C 34 56.698 56.698 57.066 -0.368 18953 3054 1 4 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.043 2.266 18953 3055 1 4 . 1 1 34 34 HIS H H 34 8.325 8.325 8.443 -0.118 18953 3056 1 4 . 1 1 35 35 SER N N 35 113.132 113.132 114.178 -1.046 18953 3057 1 4 . 1 1 35 35 SER HA H 35 5.264 5.264 5.106 0.158 18953 3058 1 4 . 1 1 35 35 SER C C 35 179.093 179.093 172.184 6.909 18953 3059 1 4 . 1 1 35 35 SER CA C 35 59.951 59.951 57.492 2.459 18953 3060 1 4 . 1 1 35 35 SER CB C 35 65.754 65.754 65.438 0.316 18953 3061 1 4 . 1 1 35 35 SER H H 35 8.489 8.489 8.065 0.424 18953 3062 1 4 . 1 1 36 36 ILE N N 36 119.607 119.607 123.626 -4.019 18953 3063 1 4 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.946 0.423 18953 3064 1 4 . 1 1 36 36 ILE C C 36 176.313 176.313 172.847 3.466 18953 3065 1 4 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.047 0.447 18953 3066 1 4 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.292 3.478 18953 3067 1 4 . 1 1 36 36 ILE H H 36 8.579 8.579 8.854 -0.275 18953 3068 1 4 . 1 1 37 37 ARG N N 37 126.328 126.328 126.927 -0.599 18953 3069 1 4 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.878 0.081 18953 3070 1 4 . 1 1 37 37 ARG C C 37 176.785 176.785 173.729 3.056 18953 3071 1 4 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.139 0.975 18953 3072 1 4 . 1 1 37 37 ARG CB C 37 34.334 34.334 34.780 -0.446 18953 3073 1 4 . 1 1 37 37 ARG H H 37 9.342 9.342 8.975 0.367 18953 3074 1 4 . 1 1 38 38 VAL N N 38 125.466 125.466 126.586 -1.120 18953 3075 1 4 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.569 -0.245 18953 3076 1 4 . 1 1 38 38 VAL C C 38 175.196 175.196 175.716 -0.520 18953 3077 1 4 . 1 1 38 38 VAL CA C 38 62.436 62.436 61.261 1.175 18953 3078 1 4 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.050 -0.376 18953 3079 1 4 . 1 1 38 38 VAL H H 38 9.122 9.122 9.171 -0.049 18953 3080 1 4 . 1 1 39 39 GLU N N 39 128.582 128.582 128.570 0.012 18953 3081 1 4 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.106 -0.022 18953 3082 1 4 . 1 1 39 39 GLU C C 39 175.200 175.200 175.540 -0.340 18953 3083 1 4 . 1 1 39 39 GLU CA C 39 58.498 58.498 58.437 0.062 18953 3084 1 4 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.871 0.959 18953 3085 1 4 . 1 1 39 39 GLU H H 39 8.258 8.258 8.676 -0.418 18953 3086 1 4 . 1 1 40 40 SER N N 40 108.412 108.412 109.115 -0.703 18953 3087 1 4 . 1 1 40 40 SER HA H 40 4.343 4.343 4.571 -0.228 18953 3088 1 4 . 1 1 40 40 SER C C 40 178.000 178.000 173.566 4.434 18953 3089 1 4 . 1 1 40 40 SER CA C 40 57.623 57.623 58.028 -0.404 18953 3090 1 4 . 1 1 40 40 SER CB C 40 64.539 64.539 65.748 -1.209 18953 3091 1 4 . 1 1 40 40 SER H H 40 7.753 7.753 7.499 0.254 18953 3092 1 4 . 1 1 41 41 GLY N N 41 109.451 109.451 111.487 -2.036 18953 3093 1 4 . 1 1 41 41 GLY C C 41 179.855 179.855 172.847 7.008 18953 3094 1 4 . 1 1 41 41 GLY CA C 41 44.884 44.884 45.224 -0.340 18953 3095 1 4 . 1 1 41 41 GLY H H 41 8.714 8.714 8.741 -0.027 18953 3096 1 4 . 1 1 42 42 CYS N N 42 112.295 112.295 119.821 -7.526 18953 3097 1 4 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.341 -0.407 18953 3098 1 4 . 1 1 42 42 CYS C C 42 178.663 178.663 172.978 5.685 18953 3099 1 4 . 1 1 42 42 CYS CA C 42 56.877 56.877 58.619 -1.742 18953 3100 1 4 . 1 1 42 42 CYS CB C 42 31.679 31.679 31.626 0.053 18953 3101 1 4 . 1 1 42 42 CYS H H 42 7.794 7.794 8.374 -0.580 18953 3102 1 4 . 1 1 43 43 PHE N N 43 118.841 118.841 119.681 -0.840 18953 3103 1 4 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.674 0.450 18953 3104 1 4 . 1 1 43 43 PHE C C 43 178.045 178.045 173.146 4.899 18953 3105 1 4 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.900 -1.410 18953 3106 1 4 . 1 1 43 43 PHE CB C 43 44.957 44.957 44.294 0.663 18953 3107 1 4 . 1 1 43 43 PHE H H 43 8.509 8.509 8.754 -0.245 18953 3108 1 4 . 1 1 44 44 MET N N 44 119.494 119.494 124.939 -5.445 18953 3109 1 4 . 1 1 44 44 MET HA H 44 5.442 5.442 4.899 0.543 18953 3110 1 4 . 1 1 44 44 MET C C 44 174.336 174.336 174.360 -0.024 18953 3111 1 4 . 1 1 44 44 MET CA C 44 52.992 52.992 53.505 -0.513 18953 3112 1 4 . 1 1 44 44 MET CB C 44 33.835 33.835 34.218 -0.383 18953 3113 1 4 . 1 1 44 44 MET H H 44 9.110 9.110 8.912 0.198 18953 3114 1 4 . 1 1 45 45 VAL N N 45 117.666 117.666 124.030 -6.364 18953 3115 1 4 . 1 1 45 45 VAL HA H 45 5.387 5.387 5.095 0.292 18953 3116 1 4 . 1 1 45 45 VAL C C 45 177.844 177.844 174.100 3.744 18953 3117 1 4 . 1 1 45 45 VAL CA C 45 59.633 59.633 60.041 -0.409 18953 3118 1 4 . 1 1 45 45 VAL CB C 45 34.280 34.280 33.459 0.821 18953 3119 1 4 . 1 1 45 45 VAL H H 45 9.345 9.345 8.855 0.489 18953 3120 1 4 . 1 1 46 46 TYR N N 46 117.876 117.876 124.043 -6.167 18953 3121 1 4 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.170 0.835 18953 3122 1 4 . 1 1 46 46 TYR C C 46 173.152 173.152 175.392 -2.240 18953 3123 1 4 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.299 -0.616 18953 3124 1 4 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.091 -1.066 18953 3125 1 4 . 1 1 46 46 TYR H H 46 8.145 8.145 9.649 -1.504 18953 3126 1 4 . 1 1 47 47 ASP N N 47 119.783 119.783 123.009 -3.226 18953 3127 1 4 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.683 0.202 18953 3128 1 4 . 1 1 47 47 ASP C C 47 176.040 176.040 175.925 0.115 18953 3129 1 4 . 1 1 47 47 ASP CA C 47 53.826 53.826 55.059 -1.234 18953 3130 1 4 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.630 -0.563 18953 3131 1 4 . 1 1 47 47 ASP H H 47 8.690 8.690 8.604 0.086 18953 3132 1 4 . 1 1 48 48 ARG N N 48 116.008 116.008 116.785 -0.777 18953 3133 1 4 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.693 0.045 18953 3134 1 4 . 1 1 48 48 ARG C C 48 175.495 175.495 175.149 0.346 18953 3135 1 4 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.277 0.068 18953 3136 1 4 . 1 1 48 48 ARG CB C 48 34.662 34.662 34.261 0.401 18953 3137 1 4 . 1 1 48 48 ARG H H 48 7.627 7.627 8.123 -0.496 18953 3138 1 4 . 1 1 49 49 THR N N 49 110.526 110.526 112.487 -1.961 18953 3139 1 4 . 1 1 49 49 THR HA H 49 3.790 3.790 4.139 -0.349 18953 3140 1 4 . 1 1 49 49 THR C C 49 176.951 176.951 174.727 2.224 18953 3141 1 4 . 1 1 49 49 THR CA C 49 62.112 62.112 62.122 -0.010 18953 3142 1 4 . 1 1 49 49 THR CB C 49 70.189 70.189 69.435 0.754 18953 3143 1 4 . 1 1 49 49 THR H H 49 8.173 8.173 8.158 0.015 18953 3144 1 4 . 1 1 50 50 ASN N N 50 112.515 112.515 119.365 -6.850 18953 3145 1 4 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.420 -0.171 18953 3146 1 4 . 1 1 50 50 ASN C C 50 178.172 178.172 173.520 4.652 18953 3147 1 4 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.449 0.928 18953 3148 1 4 . 1 1 50 50 ASN CB C 50 36.907 36.907 37.388 -0.481 18953 3149 1 4 . 1 1 50 50 ASN H H 50 9.654 9.654 8.138 1.516 18953 3150 1 4 . 1 1 51 51 PHE N N 51 110.557 110.557 109.906 0.651 18953 3151 1 4 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.761 -0.111 18953 3152 1 4 . 1 1 51 51 PHE C C 51 176.292 176.292 173.690 2.602 18953 3153 1 4 . 1 1 51 51 PHE CA C 51 55.668 55.668 58.127 -2.459 18953 3154 1 4 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.234 0.698 18953 3155 1 4 . 1 1 51 51 PHE H H 51 7.568 7.568 7.819 -0.251 18953 3156 1 4 . 1 1 52 52 MET N N 52 117.547 117.547 117.203 0.344 18953 3157 1 4 . 1 1 52 52 MET HA H 52 4.859 4.859 5.010 -0.151 18953 3158 1 4 . 1 1 52 52 MET C C 52 177.399 177.399 174.966 2.433 18953 3159 1 4 . 1 1 52 52 MET CA C 52 53.946 53.946 54.765 -0.819 18953 3160 1 4 . 1 1 52 52 MET CB C 52 35.335 35.335 37.564 -2.229 18953 3161 1 4 . 1 1 52 52 MET H H 52 6.355 6.355 7.408 -1.053 18953 3162 1 4 . 1 1 53 53 GLY N N 53 103.445 103.445 106.493 -3.048 18953 3163 1 4 . 1 1 53 53 GLY C C 53 175.327 175.327 173.962 1.365 18953 3164 1 4 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.608 -0.025 18953 3165 1 4 . 1 1 53 53 GLY H H 53 8.256 8.256 8.505 -0.249 18953 3166 1 4 . 1 1 54 54 ARG N N 54 124.195 124.195 123.452 0.743 18953 3167 1 4 . 1 1 54 54 ARG HA H 54 4.162 4.162 3.975 0.187 18953 3168 1 4 . 1 1 54 54 ARG C C 54 177.235 177.235 175.978 1.257 18953 3169 1 4 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.163 0.037 18953 3170 1 4 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.124 1.091 18953 3171 1 4 . 1 1 54 54 ARG H H 54 9.034 9.034 8.513 0.521 18953 3172 1 4 . 1 1 55 55 GLN N N 55 118.867 118.867 123.535 -4.668 18953 3173 1 4 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.559 0.460 18953 3174 1 4 . 1 1 55 55 GLN C C 55 176.166 176.166 174.895 1.271 18953 3175 1 4 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.886 -1.772 18953 3176 1 4 . 1 1 55 55 GLN CB C 55 31.471 31.471 29.940 1.531 18953 3177 1 4 . 1 1 55 55 GLN H H 55 7.657 7.657 8.332 -0.675 18953 3178 1 4 . 1 1 56 56 TYR N N 56 117.323 117.323 122.198 -4.875 18953 3179 1 4 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.783 -0.333 18953 3180 1 4 . 1 1 56 56 TYR C C 56 177.276 177.276 174.301 2.975 18953 3181 1 4 . 1 1 56 56 TYR CA C 56 57.213 57.213 56.830 0.384 18953 3182 1 4 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.588 -1.028 18953 3183 1 4 . 1 1 56 56 TYR H H 56 8.704 8.704 8.909 -0.205 18953 3184 1 4 . 1 1 57 57 PHE N N 57 125.557 125.557 121.966 3.591 18953 3185 1 4 . 1 1 57 57 PHE HA H 57 5.217 5.217 5.173 0.044 18953 3186 1 4 . 1 1 57 57 PHE C C 57 176.412 176.412 174.245 2.167 18953 3187 1 4 . 1 1 57 57 PHE CA C 57 58.371 58.371 55.844 2.527 18953 3188 1 4 . 1 1 57 57 PHE CB C 57 40.989 40.989 39.494 1.495 18953 3189 1 4 . 1 1 57 57 PHE H H 57 8.600 8.600 8.711 -0.111 18953 3190 1 4 . 1 1 58 58 LEU N N 58 129.141 129.141 127.256 1.885 18953 3191 1 4 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.392 -0.037 18953 3192 1 4 . 1 1 58 58 LEU C C 58 177.356 177.356 176.290 1.066 18953 3193 1 4 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.476 0.374 18953 3194 1 4 . 1 1 58 58 LEU CB C 58 44.886 44.886 42.863 2.023 18953 3195 1 4 . 1 1 58 58 LEU H H 58 8.969 8.969 8.642 0.327 18953 3196 1 4 . 1 1 59 59 ARG N N 59 118.569 118.569 123.481 -4.912 18953 3197 1 4 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.614 -0.051 18953 3198 1 4 . 1 1 59 59 ARG C C 59 175.341 175.341 176.187 -0.846 18953 3199 1 4 . 1 1 59 59 ARG CA C 59 53.734 53.734 54.745 -1.011 18953 3200 1 4 . 1 1 59 59 ARG CB C 59 32.396 32.396 31.685 0.711 18953 3201 1 4 . 1 1 59 59 ARG H H 59 7.107 7.107 8.654 -1.547 18953 3202 1 4 . 1 1 60 60 ARG N N 60 121.635 121.635 122.913 -1.278 18953 3203 1 4 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.923 0.042 18953 3204 1 4 . 1 1 60 60 ARG C C 60 175.525 175.525 175.561 -0.036 18953 3205 1 4 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.871 0.083 18953 3206 1 4 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.657 1.233 18953 3207 1 4 . 1 1 60 60 ARG H H 60 8.258 8.258 8.042 0.216 18953 3208 1 4 . 1 1 61 61 GLY N N 61 112.955 112.955 114.352 -1.397 18953 3209 1 4 . 1 1 61 61 GLY C C 61 180.518 180.518 171.722 8.796 18953 3210 1 4 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.809 -0.131 18953 3211 1 4 . 1 1 61 61 GLY H H 61 8.706 8.706 8.195 0.511 18953 3212 1 4 . 1 1 62 62 GLU N N 62 117.563 117.563 120.389 -2.826 18953 3213 1 4 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.561 -0.012 18953 3214 1 4 . 1 1 62 62 GLU C C 62 176.249 176.249 175.146 1.103 18953 3215 1 4 . 1 1 62 62 GLU CA C 62 55.813 55.813 55.372 0.441 18953 3216 1 4 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.646 1.198 18953 3217 1 4 . 1 1 62 62 GLU H H 62 8.161 8.161 8.437 -0.276 18953 3218 1 4 . 1 1 63 63 TYR N N 63 119.057 119.057 125.314 -6.257 18953 3219 1 4 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.957 0.219 18953 3220 1 4 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.030 -0.757 18953 3221 1 4 . 1 1 63 63 TYR CB C 63 38.048 38.048 38.969 -0.921 18953 3222 1 4 . 1 1 63 63 TYR H H 63 8.827 8.827 8.696 0.131 18953 3223 1 4 . 1 1 64 64 PRO HA H 64 3.684 3.684 3.824 -0.140 18953 3224 1 4 . 1 1 64 64 PRO CA C 64 64.970 64.970 64.089 0.881 18953 3225 1 4 . 1 1 64 64 PRO CB C 64 32.135 32.135 31.918 0.217 18953 3226 1 4 . 1 1 65 65 ASP N N 65 118.810 118.810 113.441 5.369 18953 3227 1 4 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.095 -0.048 18953 3228 1 4 . 1 1 65 65 ASP C C 65 174.175 174.175 174.392 -0.217 18953 3229 1 4 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.169 0.405 18953 3230 1 4 . 1 1 65 65 ASP CB C 65 39.805 39.805 43.189 -3.384 18953 3231 1 4 . 1 1 65 65 ASP H H 65 8.600 8.600 7.589 1.011 18953 3232 1 4 . 1 1 66 66 TYR N N 66 119.662 119.662 117.427 2.235 18953 3233 1 4 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.874 -0.473 18953 3234 1 4 . 1 1 66 66 TYR C C 66 175.431 175.431 174.337 1.094 18953 3235 1 4 . 1 1 66 66 TYR CA C 66 60.973 60.973 56.775 4.198 18953 3236 1 4 . 1 1 66 66 TYR CB C 66 38.024 38.024 38.925 -0.901 18953 3237 1 4 . 1 1 66 66 TYR H H 66 6.530 6.530 7.997 -1.467 18953 3238 1 4 . 1 1 67 67 MET N N 67 121.502 121.502 118.858 2.644 18953 3239 1 4 . 1 1 67 67 MET HA H 67 3.626 3.626 4.382 -0.756 18953 3240 1 4 . 1 1 67 67 MET C C 67 172.742 172.742 176.979 -4.237 18953 3241 1 4 . 1 1 67 67 MET CA C 67 59.998 59.998 57.598 2.400 18953 3242 1 4 . 1 1 67 67 MET CB C 67 32.064 32.064 34.235 -2.171 18953 3243 1 4 . 1 1 67 67 MET H H 67 8.299 8.299 7.611 0.688 18953 3244 1 4 . 1 1 68 68 ARG N N 68 116.824 116.824 116.299 0.525 18953 3245 1 4 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.335 -0.180 18953 3246 1 4 . 1 1 68 68 ARG C C 68 171.982 171.982 177.384 -5.402 18953 3247 1 4 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.234 0.366 18953 3248 1 4 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.724 0.333 18953 3249 1 4 . 1 1 68 68 ARG H H 68 6.919 6.919 8.360 -1.441 18953 3250 1 4 . 1 1 69 69 THR N N 69 111.292 111.292 109.838 1.454 18953 3251 1 4 . 1 1 69 69 THR HA H 69 4.101 4.101 4.190 -0.089 18953 3252 1 4 . 1 1 69 69 THR C C 69 174.584 174.584 174.886 -0.302 18953 3253 1 4 . 1 1 69 69 THR CA C 69 65.512 65.512 64.045 1.467 18953 3254 1 4 . 1 1 69 69 THR CB C 69 68.821 68.821 68.936 -0.115 18953 3255 1 4 . 1 1 69 69 THR H H 69 8.020 8.020 8.225 -0.205 18953 3256 1 4 . 1 1 70 70 MET N N 70 117.481 117.481 118.785 -1.304 18953 3257 1 4 . 1 1 70 70 MET HA H 70 4.496 4.496 4.469 0.027 18953 3258 1 4 . 1 1 70 70 MET C C 70 175.015 175.015 176.126 -1.111 18953 3259 1 4 . 1 1 70 70 MET CA C 70 56.029 56.029 55.659 0.370 18953 3260 1 4 . 1 1 70 70 MET CB C 70 33.013 33.013 34.917 -1.904 18953 3261 1 4 . 1 1 70 70 MET H H 70 8.315 8.315 7.398 0.917 18953 3262 1 4 . 1 1 71 71 GLY N N 71 108.537 108.537 108.768 -0.231 18953 3263 1 4 . 1 1 71 71 GLY C C 71 176.534 176.534 173.394 3.140 18953 3264 1 4 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.279 1.930 18953 3265 1 4 . 1 1 71 71 GLY H H 71 7.352 7.352 7.784 -0.431 18953 3266 1 4 . 1 1 72 72 MET N N 72 118.363 118.363 118.095 0.268 18953 3267 1 4 . 1 1 72 72 MET HA H 72 4.375 4.375 4.779 -0.404 18953 3268 1 4 . 1 1 72 72 MET C C 72 176.034 176.034 174.258 1.776 18953 3269 1 4 . 1 1 72 72 MET CA C 72 55.884 55.884 54.387 1.497 18953 3270 1 4 . 1 1 72 72 MET CB C 72 35.756 35.756 36.092 -0.335 18953 3271 1 4 . 1 1 72 72 MET H H 72 7.888 7.888 7.712 0.176 18953 3272 1 4 . 1 1 73 73 ASN N N 73 119.052 119.052 118.802 0.250 18953 3273 1 4 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.889 -0.168 18953 3274 1 4 . 1 1 73 73 ASN C C 73 177.307 177.307 173.526 3.781 18953 3275 1 4 . 1 1 73 73 ASN CA C 73 53.866 53.866 53.111 0.756 18953 3276 1 4 . 1 1 73 73 ASN CB C 73 39.872 39.872 39.351 0.521 18953 3277 1 4 . 1 1 73 73 ASN H H 73 8.956 8.956 8.611 0.345 18953 3278 1 4 . 1 1 74 74 ASP N N 74 118.536 118.536 117.298 1.238 18953 3279 1 4 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.610 0.266 18953 3280 1 4 . 1 1 74 74 ASP C C 74 177.595 177.595 174.198 3.397 18953 3281 1 4 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.970 -1.424 18953 3282 1 4 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.738 2.305 18953 3283 1 4 . 1 1 74 74 ASP H H 74 7.831 7.831 7.752 0.079 18953 3284 1 4 . 1 1 75 75 CYS N N 75 116.378 116.378 116.884 -0.506 18953 3285 1 4 . 1 1 75 75 CYS HA H 75 4.661 4.661 4.944 -0.283 18953 3286 1 4 . 1 1 75 75 CYS C C 75 177.301 177.301 175.116 2.185 18953 3287 1 4 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.861 1.211 18953 3288 1 4 . 1 1 75 75 CYS CB C 75 29.613 29.613 30.078 -0.465 18953 3289 1 4 . 1 1 75 75 CYS H H 75 8.527 8.527 8.642 -0.115 18953 3290 1 4 . 1 1 76 76 VAL N N 76 116.516 116.516 118.886 -2.370 18953 3291 1 4 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.178 -0.268 18953 3292 1 4 . 1 1 76 76 VAL C C 76 175.906 175.906 175.956 -0.050 18953 3293 1 4 . 1 1 76 76 VAL CA C 76 63.823 63.823 63.069 0.755 18953 3294 1 4 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.028 0.677 18953 3295 1 4 . 1 1 76 76 VAL H H 76 7.296 7.296 8.114 -0.818 18953 3296 1 4 . 1 1 77 77 ARG N N 77 120.435 120.435 123.821 -3.386 18953 3297 1 4 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.375 0.005 18953 3298 1 4 . 1 1 77 77 ARG C C 77 175.519 175.519 176.003 -0.484 18953 3299 1 4 . 1 1 77 77 ARG CA C 77 55.408 55.408 57.036 -1.628 18953 3300 1 4 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.738 1.474 18953 3301 1 4 . 1 1 77 77 ARG H H 77 8.923 8.923 9.111 -0.188 18953 3302 1 4 . 1 1 78 78 SER N N 78 110.315 110.315 110.907 -0.592 18953 3303 1 4 . 1 1 78 78 SER HA H 78 4.533 4.533 5.371 -0.838 18953 3304 1 4 . 1 1 78 78 SER C C 78 177.603 177.603 172.616 4.987 18953 3305 1 4 . 1 1 78 78 SER CA C 78 59.512 59.512 57.119 2.393 18953 3306 1 4 . 1 1 78 78 SER CB C 78 65.883 65.883 66.713 -0.830 18953 3307 1 4 . 1 1 78 78 SER H H 78 8.100 8.100 8.105 -0.005 18953 3308 1 4 . 1 1 79 79 CYS N N 79 112.901 112.901 116.632 -3.731 18953 3309 1 4 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.943 0.374 18953 3310 1 4 . 1 1 79 79 CYS C C 79 179.601 179.601 172.838 6.763 18953 3311 1 4 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.004 -0.525 18953 3312 1 4 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.500 -0.150 18953 3313 1 4 . 1 1 79 79 CYS H H 79 9.438 9.438 9.447 -0.009 18953 3314 1 4 . 1 1 80 80 ARG N N 80 122.877 122.877 119.279 3.598 18953 3315 1 4 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.746 0.281 18953 3316 1 4 . 1 1 80 80 ARG C C 80 176.888 176.888 174.643 2.245 18953 3317 1 4 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.858 -0.171 18953 3318 1 4 . 1 1 80 80 ARG CB C 80 34.686 34.686 35.088 -0.402 18953 3319 1 4 . 1 1 80 80 ARG H H 80 10.005 10.005 9.286 0.719 18953 3320 1 4 . 1 1 81 81 MET N N 81 125.699 125.699 119.659 6.040 18953 3321 1 4 . 1 1 81 81 MET HA H 81 3.494 3.494 3.696 -0.202 18953 3322 1 4 . 1 1 81 81 MET C C 81 176.369 176.369 175.249 1.120 18953 3323 1 4 . 1 1 81 81 MET CA C 81 55.587 55.587 54.974 0.613 18953 3324 1 4 . 1 1 81 81 MET CB C 81 34.241 34.241 33.827 0.414 18953 3325 1 4 . 1 1 81 81 MET H H 81 9.198 9.198 8.252 0.946 18953 3326 1 4 . 1 1 82 82 ILE N N 82 131.119 131.119 121.458 9.661 18953 3327 1 4 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.396 -0.362 18953 3328 1 4 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.636 0.214 18953 3329 1 4 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.383 0.810 18953 3330 1 4 . 1 1 82 82 ILE H H 82 7.744 7.744 8.156 -0.412 18953 3331 1 4 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.411 -0.210 18953 3332 1 4 . 1 1 83 83 PRO C C 83 176.434 176.434 177.458 -1.024 18953 3333 1 4 . 1 1 83 83 PRO CA C 83 62.426 62.426 63.097 -0.671 18953 3334 1 4 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.291 0.103 18953 3335 1 4 . 1 1 84 84 LEU N N 84 120.509 120.509 119.249 1.260 18953 3336 1 4 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.842 -0.602 18953 3337 1 4 . 1 1 84 84 LEU C C 84 174.899 174.899 176.331 -1.432 18953 3338 1 4 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.201 0.326 18953 3339 1 4 . 1 1 84 84 LEU CB C 84 41.560 41.560 40.308 1.252 18953 3340 1 4 . 1 1 84 84 LEU H H 84 7.873 7.873 8.758 -0.885 18953 3341 1 4 . 1 1 85 85 HIS N N 85 125.245 125.245 122.823 2.422 18953 3342 1 4 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.883 -0.299 18953 3343 1 4 . 1 1 85 85 HIS CA C 85 56.167 56.167 55.505 0.662 18953 3344 1 4 . 1 1 85 85 HIS CB C 85 32.644 32.644 30.443 2.201 18953 3345 1 4 . 1 1 85 85 HIS H H 85 8.600 8.600 7.801 0.799 18953 3346 1 4 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.550 0.211 18953 3347 1 4 . 1 1 86 86 HIS C C 86 177.250 177.250 173.545 3.705 18953 3348 1 4 . 1 1 86 86 HIS CA C 86 54.709 54.709 54.142 0.567 18953 3349 1 4 . 1 1 86 86 HIS CB C 86 29.670 29.670 30.821 -1.151 18953 3350 1 4 . 1 1 86 86 HIS H H 86 8.500 8.500 7.938 0.562 18953 3351 1 4 . 1 1 87 87 GLY N N 87 107.909 107.909 112.936 -5.027 18953 3352 1 4 . 1 1 87 87 GLY C C 87 178.627 178.627 173.929 4.698 18953 3353 1 4 . 1 1 87 87 GLY CA C 87 44.861 44.861 45.642 -0.781 18953 3354 1 4 . 1 1 87 87 GLY H H 87 6.662 6.662 8.320 -1.658 18953 3355 1 4 . 1 1 88 88 SER N N 88 116.742 116.742 113.960 2.782 18953 3356 1 4 . 1 1 88 88 SER HA H 88 4.528 4.528 4.589 -0.061 18953 3357 1 4 . 1 1 88 88 SER C C 88 178.527 178.527 172.795 5.732 18953 3358 1 4 . 1 1 88 88 SER CA C 88 58.279 58.279 57.193 1.086 18953 3359 1 4 . 1 1 88 88 SER CB C 88 64.360 64.360 65.677 -1.317 18953 3360 1 4 . 1 1 88 88 SER H H 88 8.235 8.235 7.668 0.567 18953 3361 1 4 . 1 1 89 89 PHE N N 89 119.985 119.985 120.337 -0.352 18953 3362 1 4 . 1 1 89 89 PHE HA H 89 4.568 4.568 4.829 -0.261 18953 3363 1 4 . 1 1 89 89 PHE C C 89 176.551 176.551 175.272 1.279 18953 3364 1 4 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.990 -1.255 18953 3365 1 4 . 1 1 89 89 PHE CB C 89 41.321 41.321 40.394 0.927 18953 3366 1 4 . 1 1 89 89 PHE H H 89 8.478 8.478 8.785 -0.307 18953 3367 1 4 . 1 1 90 90 LYS N N 90 122.179 122.179 127.202 -5.023 18953 3368 1 4 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.805 0.351 18953 3369 1 4 . 1 1 90 90 LYS C C 90 177.501 177.501 173.695 3.806 18953 3370 1 4 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.295 1.517 18953 3371 1 4 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.200 -0.499 18953 3372 1 4 . 1 1 90 90 LYS H H 90 9.130 9.130 8.669 0.461 18953 3373 1 4 . 1 1 91 91 MET N N 91 127.037 127.037 125.640 1.397 18953 3374 1 4 . 1 1 91 91 MET HA H 91 4.835 4.835 4.848 -0.013 18953 3375 1 4 . 1 1 91 91 MET C C 91 179.276 179.276 173.612 5.664 18953 3376 1 4 . 1 1 91 91 MET CA C 91 54.527 54.527 53.830 0.697 18953 3377 1 4 . 1 1 91 91 MET CB C 91 36.920 36.920 36.557 0.362 18953 3378 1 4 . 1 1 91 91 MET H H 91 9.202 9.202 8.879 0.323 18953 3379 1 4 . 1 1 92 92 ARG N N 92 121.520 121.520 126.960 -5.440 18953 3380 1 4 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.560 0.308 18953 3381 1 4 . 1 1 92 92 ARG C C 92 177.432 177.432 174.142 3.290 18953 3382 1 4 . 1 1 92 92 ARG CA C 92 54.998 54.998 54.922 0.076 18953 3383 1 4 . 1 1 92 92 ARG CB C 92 34.485 34.485 32.264 2.221 18953 3384 1 4 . 1 1 92 92 ARG H H 92 8.776 8.776 8.919 -0.143 18953 3385 1 4 . 1 1 93 93 LEU N N 93 124.749 124.749 126.738 -1.989 18953 3386 1 4 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.614 -0.340 18953 3387 1 4 . 1 1 93 93 LEU C C 93 176.662 176.662 174.934 1.728 18953 3388 1 4 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.679 0.016 18953 3389 1 4 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.761 0.129 18953 3390 1 4 . 1 1 93 93 LEU H H 93 8.841 8.841 8.727 0.114 18953 3391 1 4 . 1 1 94 94 TYR N N 94 116.673 116.673 119.855 -3.182 18953 3392 1 4 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.914 0.510 18953 3393 1 4 . 1 1 94 94 TYR C C 94 175.232 175.232 175.507 -0.275 18953 3394 1 4 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.119 -0.058 18953 3395 1 4 . 1 1 94 94 TYR CB C 94 40.363 40.363 42.178 -1.815 18953 3396 1 4 . 1 1 94 94 TYR H H 94 8.161 8.161 8.911 -0.750 18953 3397 1 4 . 1 1 95 95 GLU N N 95 121.556 121.556 123.249 -1.693 18953 3398 1 4 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.054 -0.020 18953 3399 1 4 . 1 1 95 95 GLU C C 95 174.587 174.587 176.277 -1.690 18953 3400 1 4 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.332 0.628 18953 3401 1 4 . 1 1 95 95 GLU CB C 95 33.524 33.524 29.995 3.529 18953 3402 1 4 . 1 1 95 95 GLU H H 95 8.537 8.537 8.354 0.183 18953 3403 1 4 . 1 1 96 96 HIS N N 96 113.214 113.214 117.019 -3.805 18953 3404 1 4 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.933 0.373 18953 3405 1 4 . 1 1 96 96 HIS C C 96 175.830 175.830 175.837 -0.007 18953 3406 1 4 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.822 -0.675 18953 3407 1 4 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.602 0.762 18953 3408 1 4 . 1 1 96 96 HIS H H 96 8.154 8.154 8.212 -0.058 18953 3409 1 4 . 1 1 97 97 SER N N 97 115.997 115.997 116.309 -0.312 18953 3410 1 4 . 1 1 97 97 SER HA H 97 4.196 4.196 4.620 -0.424 18953 3411 1 4 . 1 1 97 97 SER C C 97 177.588 177.588 175.043 2.545 18953 3412 1 4 . 1 1 97 97 SER CA C 97 59.180 59.180 60.856 -1.677 18953 3413 1 4 . 1 1 97 97 SER CB C 97 63.740 63.740 63.572 0.168 18953 3414 1 4 . 1 1 97 97 SER H H 97 8.728 8.728 8.891 -0.163 18953 3415 1 4 . 1 1 98 98 ASP N N 98 116.560 116.560 120.314 -3.754 18953 3416 1 4 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.270 -0.305 18953 3417 1 4 . 1 1 98 98 ASP C C 98 176.991 176.991 175.770 1.221 18953 3418 1 4 . 1 1 98 98 ASP CA C 98 56.873 56.873 57.075 -0.202 18953 3419 1 4 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.680 -0.166 18953 3420 1 4 . 1 1 98 98 ASP H H 98 9.714 9.714 8.808 0.906 18953 3421 1 4 . 1 1 99 99 MET N N 99 112.109 112.109 120.872 -8.763 18953 3422 1 4 . 1 1 99 99 MET HA H 99 2.689 2.689 3.938 -1.249 18953 3423 1 4 . 1 1 99 99 MET C C 99 176.133 176.133 173.635 2.498 18953 3424 1 4 . 1 1 99 99 MET CA C 99 56.596 56.596 54.773 1.823 18953 3425 1 4 . 1 1 99 99 MET CB C 99 27.203 27.203 34.101 -6.898 18953 3426 1 4 . 1 1 99 99 MET H H 99 8.425 8.425 7.818 0.607 18953 3427 1 4 . 1 1 100 100 GLY N N 100 104.572 104.572 106.483 -1.911 18953 3428 1 4 . 1 1 100 100 GLY C C 100 177.855 177.855 172.784 5.071 18953 3429 1 4 . 1 1 100 100 GLY CA C 100 44.345 44.345 44.096 0.249 18953 3430 1 4 . 1 1 100 100 GLY H H 100 6.670 6.670 7.343 -0.673 18953 3431 1 4 . 1 1 101 101 GLY N N 101 105.792 105.792 108.754 -2.962 18953 3432 1 4 . 1 1 101 101 GLY C C 101 177.525 177.525 173.640 3.885 18953 3433 1 4 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.742 0.364 18953 3434 1 4 . 1 1 101 101 GLY H H 101 8.446 8.446 8.300 0.146 18953 3435 1 4 . 1 1 102 102 ARG N N 102 121.688 121.688 124.332 -2.644 18953 3436 1 4 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.541 -0.543 18953 3437 1 4 . 1 1 102 102 ARG C C 102 177.803 177.803 175.617 2.186 18953 3438 1 4 . 1 1 102 102 ARG CA C 102 58.368 58.368 54.395 3.973 18953 3439 1 4 . 1 1 102 102 ARG CB C 102 31.684 31.684 31.087 0.597 18953 3440 1 4 . 1 1 102 102 ARG H H 102 8.785 8.785 8.249 0.536 18953 3441 1 4 . 1 1 103 103 MET N N 103 122.371 122.371 123.967 -1.596 18953 3442 1 4 . 1 1 103 103 MET HA H 103 4.754 4.754 4.670 0.084 18953 3443 1 4 . 1 1 103 103 MET C C 103 175.490 175.490 174.697 0.793 18953 3444 1 4 . 1 1 103 103 MET CA C 103 53.993 53.993 54.474 -0.481 18953 3445 1 4 . 1 1 103 103 MET CB C 103 34.860 34.860 32.900 1.960 18953 3446 1 4 . 1 1 103 103 MET H H 103 7.905 7.905 8.557 -0.652 18953 3447 1 4 . 1 1 104 104 MET N N 104 127.629 127.629 124.264 3.365 18953 3448 1 4 . 1 1 104 104 MET HA H 104 4.318 4.318 4.484 -0.166 18953 3449 1 4 . 1 1 104 104 MET C C 104 177.870 177.870 174.398 3.472 18953 3450 1 4 . 1 1 104 104 MET CA C 104 54.080 54.080 53.368 0.712 18953 3451 1 4 . 1 1 104 104 MET CB C 104 35.315 35.315 35.123 0.192 18953 3452 1 4 . 1 1 104 104 MET H H 104 8.796 8.796 8.121 0.675 18953 3453 1 4 . 1 1 105 105 GLU N N 105 123.753 123.753 123.750 0.003 18953 3454 1 4 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.830 0.016 18953 3455 1 4 . 1 1 105 105 GLU C C 105 176.871 176.871 175.069 1.802 18953 3456 1 4 . 1 1 105 105 GLU CA C 105 55.688 55.688 54.740 0.948 18953 3457 1 4 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.040 2.475 18953 3458 1 4 . 1 1 105 105 GLU H H 105 8.467 8.467 8.401 0.066 18953 3459 1 4 . 1 1 106 106 LEU N N 106 125.076 125.076 126.097 -1.021 18953 3460 1 4 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.850 0.038 18953 3461 1 4 . 1 1 106 106 LEU C C 106 175.666 175.666 174.793 0.873 18953 3462 1 4 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.274 0.626 18953 3463 1 4 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.789 2.008 18953 3464 1 4 . 1 1 106 106 LEU H H 106 8.933 8.933 8.960 -0.027 18953 3465 1 4 . 1 1 107 107 MET N N 107 120.889 120.889 124.189 -3.300 18953 3466 1 4 . 1 1 107 107 MET HA H 107 5.152 5.152 4.986 0.166 18953 3467 1 4 . 1 1 107 107 MET C C 107 177.873 177.873 174.454 3.419 18953 3468 1 4 . 1 1 107 107 MET CA C 107 55.430 55.430 55.459 -0.029 18953 3469 1 4 . 1 1 107 107 MET CB C 107 35.107 35.107 33.370 1.737 18953 3470 1 4 . 1 1 107 107 MET H H 107 9.099 9.099 8.999 0.100 18953 3471 1 4 . 1 1 108 108 ASP N N 108 120.261 120.261 118.878 1.383 18953 3472 1 4 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.963 -0.514 18953 3473 1 4 . 1 1 108 108 ASP C C 108 178.998 178.998 174.609 4.389 18953 3474 1 4 . 1 1 108 108 ASP CA C 108 51.953 51.953 53.190 -1.237 18953 3475 1 4 . 1 1 108 108 ASP CB C 108 43.335 43.335 43.990 -0.656 18953 3476 1 4 . 1 1 108 108 ASP H H 108 7.874 7.874 7.934 -0.060 18953 3477 1 4 . 1 1 109 109 ASP N N 109 115.191 115.191 118.937 -3.746 18953 3478 1 4 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.596 0.242 18953 3479 1 4 . 1 1 109 109 ASP C C 109 174.768 174.768 175.706 -0.938 18953 3480 1 4 . 1 1 109 109 ASP CA C 109 55.106 55.106 53.795 1.311 18953 3481 1 4 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.131 -0.073 18953 3482 1 4 . 1 1 109 109 ASP H H 109 8.065 8.065 8.479 -0.414 18953 3483 1 4 . 1 1 110 110 CYS N N 110 120.716 120.716 122.781 -2.065 18953 3484 1 4 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.882 0.257 18953 3485 1 4 . 1 1 110 110 CYS CA C 110 55.817 55.817 56.327 -0.510 18953 3486 1 4 . 1 1 110 110 CYS CB C 110 29.730 29.730 28.306 1.423 18953 3487 1 4 . 1 1 110 110 CYS H H 110 9.583 9.583 8.546 1.037 18953 3488 1 4 . 1 1 111 111 PRO HA H 111 3.971 3.971 4.071 -0.100 18953 3489 1 4 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.446 -0.302 18953 3490 1 4 . 1 1 111 111 PRO CB C 111 31.909 31.909 31.921 -0.012 18953 3491 1 4 . 1 1 112 112 ASN N N 112 116.300 116.300 116.343 -0.043 18953 3492 1 4 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.790 -0.015 18953 3493 1 4 . 1 1 112 112 ASN C C 112 175.948 175.948 175.580 0.368 18953 3494 1 4 . 1 1 112 112 ASN CA C 112 54.121 54.121 51.628 2.493 18953 3495 1 4 . 1 1 112 112 ASN CB C 112 38.709 38.709 37.907 0.802 18953 3496 1 4 . 1 1 112 112 ASN H H 112 7.385 7.385 7.881 -0.496 18953 3497 1 4 . 1 1 113 113 LEU N N 113 129.895 129.895 123.960 5.935 18953 3498 1 4 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.057 0.100 18953 3499 1 4 . 1 1 113 113 LEU C C 113 173.709 173.709 177.809 -4.100 18953 3500 1 4 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.246 1.643 18953 3501 1 4 . 1 1 113 113 LEU CB C 113 42.451 42.451 41.952 0.499 18953 3502 1 4 . 1 1 113 113 LEU H H 113 8.154 8.154 8.319 -0.165 18953 3503 1 4 . 1 1 114 114 MET N N 114 120.939 120.939 118.856 2.083 18953 3504 1 4 . 1 1 114 114 MET HA H 114 4.204 4.204 4.084 0.120 18953 3505 1 4 . 1 1 114 114 MET C C 114 171.942 171.942 177.644 -5.702 18953 3506 1 4 . 1 1 114 114 MET CA C 114 58.354 58.354 58.712 -0.358 18953 3507 1 4 . 1 1 114 114 MET CB C 114 31.118 31.118 32.137 -1.019 18953 3508 1 4 . 1 1 114 114 MET H H 114 8.421 8.421 8.055 0.366 18953 3509 1 4 . 1 1 115 115 ASP N N 115 119.204 119.204 117.783 1.421 18953 3510 1 4 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.655 -0.382 18953 3511 1 4 . 1 1 115 115 ASP C C 115 174.228 174.228 177.692 -3.464 18953 3512 1 4 . 1 1 115 115 ASP CA C 115 56.737 56.737 55.358 1.379 18953 3513 1 4 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.752 -0.132 18953 3514 1 4 . 1 1 115 115 ASP H H 115 7.695 7.695 7.669 0.026 18953 3515 1 4 . 1 1 116 116 ARG N N 116 116.937 116.937 118.669 -1.732 18953 3516 1 4 . 1 1 116 116 ARG HA H 116 4.058 4.058 3.956 0.102 18953 3517 1 4 . 1 1 116 116 ARG C C 116 174.084 174.084 177.637 -3.553 18953 3518 1 4 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.064 -0.225 18953 3519 1 4 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.330 1.769 18953 3520 1 4 . 1 1 116 116 ARG H H 116 7.118 7.118 7.321 -0.203 18953 3521 1 4 . 1 1 117 117 PHE N N 117 113.914 113.914 114.721 -0.807 18953 3522 1 4 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.704 0.421 18953 3523 1 4 . 1 1 117 117 PHE C C 117 175.681 175.681 174.935 0.746 18953 3524 1 4 . 1 1 117 117 PHE CA C 117 57.040 57.040 56.368 0.672 18953 3525 1 4 . 1 1 117 117 PHE CB C 117 41.881 41.881 38.960 2.921 18953 3526 1 4 . 1 1 117 117 PHE H H 117 8.641 8.641 7.739 0.902 18953 3527 1 4 . 1 1 118 118 ASN N N 118 117.137 117.137 115.602 1.535 18953 3528 1 4 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.521 0.325 18953 3529 1 4 . 1 1 118 118 ASN C C 118 177.553 177.553 174.697 2.856 18953 3530 1 4 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.490 0.548 18953 3531 1 4 . 1 1 118 118 ASN CB C 118 38.049 38.049 36.124 1.925 18953 3532 1 4 . 1 1 118 118 ASN H H 118 8.478 8.478 8.010 0.468 18953 3533 1 4 . 1 1 119 119 MET N N 119 114.316 114.316 118.485 -4.169 18953 3534 1 4 . 1 1 119 119 MET HA H 119 4.386 4.386 4.713 -0.327 18953 3535 1 4 . 1 1 119 119 MET C C 119 178.321 178.321 173.828 4.493 18953 3536 1 4 . 1 1 119 119 MET CA C 119 55.950 55.950 54.778 1.172 18953 3537 1 4 . 1 1 119 119 MET CB C 119 37.233 37.233 35.108 2.126 18953 3538 1 4 . 1 1 119 119 MET H H 119 7.286 7.286 7.315 -0.029 18953 3539 1 4 . 1 1 120 120 SER N N 120 111.310 111.310 115.826 -4.516 18953 3540 1 4 . 1 1 120 120 SER HA H 120 4.682 4.682 4.960 -0.278 18953 3541 1 4 . 1 1 120 120 SER C C 120 179.047 179.047 172.345 6.702 18953 3542 1 4 . 1 1 120 120 SER CA C 120 57.435 57.435 57.784 -0.349 18953 3543 1 4 . 1 1 120 120 SER CB C 120 65.594 65.594 64.845 0.749 18953 3544 1 4 . 1 1 120 120 SER H H 120 8.361 8.361 8.426 -0.065 18953 3545 1 4 . 1 1 121 121 ASP N N 121 120.422 120.422 122.251 -1.829 18953 3546 1 4 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.446 -0.364 18953 3547 1 4 . 1 1 121 121 ASP C C 121 177.532 177.532 174.922 2.610 18953 3548 1 4 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.117 0.513 18953 3549 1 4 . 1 1 121 121 ASP CB C 121 43.513 43.513 41.233 2.280 18953 3550 1 4 . 1 1 121 121 ASP H H 121 6.829 6.829 7.425 -0.596 18953 3551 1 4 . 1 1 122 122 PHE N N 122 120.611 120.611 120.756 -0.145 18953 3552 1 4 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.706 -0.011 18953 3553 1 4 . 1 1 122 122 PHE C C 122 177.316 177.316 175.022 2.294 18953 3554 1 4 . 1 1 122 122 PHE CA C 122 57.660 57.660 56.111 1.549 18953 3555 1 4 . 1 1 122 122 PHE CB C 122 40.871 40.871 40.310 0.561 18953 3556 1 4 . 1 1 122 122 PHE H H 122 8.376 8.376 8.320 0.056 18953 3557 1 4 . 1 1 123 123 HIS N N 123 116.193 116.193 119.201 -3.008 18953 3558 1 4 . 1 1 123 123 HIS HA H 123 4.765 4.765 4.900 -0.135 18953 3559 1 4 . 1 1 123 123 HIS C C 123 176.431 176.431 175.313 1.118 18953 3560 1 4 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.119 1.485 18953 3561 1 4 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.459 1.821 18953 3562 1 4 . 1 1 123 123 HIS H H 123 7.577 7.577 8.280 -0.703 18953 3563 1 4 . 1 1 124 124 SER N N 124 107.332 107.332 113.630 -6.298 18953 3564 1 4 . 1 1 124 124 SER HA H 124 4.698 4.698 5.241 -0.543 18953 3565 1 4 . 1 1 124 124 SER C C 124 178.179 178.179 172.588 5.591 18953 3566 1 4 . 1 1 124 124 SER CA C 124 59.556 59.556 57.856 1.700 18953 3567 1 4 . 1 1 124 124 SER CB C 124 65.667 65.667 66.754 -1.087 18953 3568 1 4 . 1 1 124 124 SER H H 124 8.256 8.256 8.352 -0.096 18953 3569 1 4 . 1 1 125 125 CYS N N 125 113.874 113.874 121.159 -7.285 18953 3570 1 4 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.407 0.144 18953 3571 1 4 . 1 1 125 125 CYS C C 125 179.655 179.655 172.537 7.118 18953 3572 1 4 . 1 1 125 125 CYS CA C 125 57.871 57.871 57.867 0.004 18953 3573 1 4 . 1 1 125 125 CYS CB C 125 30.586 30.586 31.170 -0.584 18953 3574 1 4 . 1 1 125 125 CYS H H 125 9.561 9.561 8.971 0.590 18953 3575 1 4 . 1 1 126 126 HIS N N 126 124.829 124.829 122.581 2.248 18953 3576 1 4 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.300 0.181 18953 3577 1 4 . 1 1 126 126 HIS C C 126 176.575 176.575 173.214 3.361 18953 3578 1 4 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.347 -2.040 18953 3579 1 4 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.939 1.184 18953 3580 1 4 . 1 1 126 126 HIS H H 126 9.858 9.858 8.931 0.927 18953 3581 1 4 . 1 1 127 127 VAL N N 127 128.620 128.620 125.269 3.351 18953 3582 1 4 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.185 -0.311 18953 3583 1 4 . 1 1 127 127 VAL C C 127 176.660 176.660 174.676 1.984 18953 3584 1 4 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.446 2.039 18953 3585 1 4 . 1 1 127 127 VAL CB C 127 30.999 30.999 32.935 -1.936 18953 3586 1 4 . 1 1 127 127 VAL H H 127 9.408 9.408 8.009 1.399 18953 3587 1 4 . 1 1 128 128 MET N N 128 129.466 129.466 126.417 3.049 18953 3588 1 4 . 1 1 128 128 MET HA H 128 3.930 3.930 4.511 -0.581 18953 3589 1 4 . 1 1 128 128 MET C C 128 176.093 176.093 175.490 0.603 18953 3590 1 4 . 1 1 128 128 MET CA C 128 58.109 58.109 57.642 0.467 18953 3591 1 4 . 1 1 128 128 MET CB C 128 34.019 34.019 33.607 0.412 18953 3592 1 4 . 1 1 128 128 MET H H 128 7.906 7.906 8.541 -0.635 18953 3593 1 4 . 1 1 129 129 ASP N N 129 116.435 116.435 114.595 1.840 18953 3594 1 4 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.525 0.307 18953 3595 1 4 . 1 1 129 129 ASP C C 129 174.959 174.959 174.810 0.149 18953 3596 1 4 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.128 0.052 18953 3597 1 4 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.501 2.630 18953 3598 1 4 . 1 1 129 129 ASP H H 129 8.349 8.349 7.424 0.925 18953 3599 1 4 . 1 1 130 130 GLY N N 130 113.062 113.062 107.858 5.204 18953 3600 1 4 . 1 1 130 130 GLY C C 130 183.642 183.642 171.994 11.648 18953 3601 1 4 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.822 -0.350 18953 3602 1 4 . 1 1 130 130 GLY H H 130 8.479 8.479 8.172 0.307 18953 3603 1 4 . 1 1 131 131 HIS N N 131 114.389 114.389 118.347 -3.958 18953 3604 1 4 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.790 0.212 18953 3605 1 4 . 1 1 131 131 HIS C C 131 176.470 176.470 173.385 3.085 18953 3606 1 4 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.421 0.897 18953 3607 1 4 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.951 1.084 18953 3608 1 4 . 1 1 131 131 HIS H H 131 6.228 6.228 7.623 -1.395 18953 3609 1 4 . 1 1 132 132 TRP N N 132 122.333 122.333 120.717 1.616 18953 3610 1 4 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.095 0.040 18953 3611 1 4 . 1 1 132 132 TRP C C 132 177.557 177.557 174.630 2.927 18953 3612 1 4 . 1 1 132 132 TRP CA C 132 56.896 56.896 55.984 0.912 18953 3613 1 4 . 1 1 132 132 TRP CB C 132 33.795 33.795 32.500 1.295 18953 3614 1 4 . 1 1 132 132 TRP H H 132 8.838 8.838 8.837 0.001 18953 3615 1 4 . 1 1 133 133 LEU N N 133 121.883 121.883 122.819 -0.936 18953 3616 1 4 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.078 0.044 18953 3617 1 4 . 1 1 133 133 LEU C C 133 176.457 176.457 175.788 0.669 18953 3618 1 4 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.207 -0.671 18953 3619 1 4 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.311 3.259 18953 3620 1 4 . 1 1 133 133 LEU H H 133 9.403 9.403 9.267 0.136 18953 3621 1 4 . 1 1 134 134 VAL N N 134 123.013 123.013 122.863 0.150 18953 3622 1 4 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.378 0.181 18953 3623 1 4 . 1 1 134 134 VAL C C 134 177.780 177.780 174.544 3.236 18953 3624 1 4 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.102 -0.153 18953 3625 1 4 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.448 -0.359 18953 3626 1 4 . 1 1 134 134 VAL H H 134 8.948 8.948 9.059 -0.111 18953 3627 1 4 . 1 1 135 135 TYR N N 135 122.405 122.405 125.606 -3.201 18953 3628 1 4 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.976 0.564 18953 3629 1 4 . 1 1 135 135 TYR C C 135 172.456 172.456 176.046 -3.590 18953 3630 1 4 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.791 -0.794 18953 3631 1 4 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.678 -0.933 18953 3632 1 4 . 1 1 135 135 TYR H H 135 9.068 9.068 9.483 -0.415 18953 3633 1 4 . 1 1 136 136 GLU N N 136 121.335 121.335 124.151 -2.816 18953 3634 1 4 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.401 -0.298 18953 3635 1 4 . 1 1 136 136 GLU C C 136 176.022 176.022 176.693 -0.671 18953 3636 1 4 . 1 1 136 136 GLU CA C 136 59.896 59.896 58.641 1.255 18953 3637 1 4 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.582 2.345 18953 3638 1 4 . 1 1 136 136 GLU H H 136 9.360 9.360 8.472 0.888 18953 3639 1 4 . 1 1 137 137 GLN N N 137 111.530 111.530 116.810 -5.280 18953 3640 1 4 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.852 0.115 18953 3641 1 4 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.827 0.006 18953 3642 1 4 . 1 1 137 137 GLN CB C 137 29.142 29.142 30.761 -1.619 18953 3643 1 4 . 1 1 137 137 GLN H H 137 7.808 7.808 8.070 -0.262 18953 3644 1 4 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.219 -0.077 18953 3645 1 4 . 1 1 138 138 PRO C C 138 176.607 176.607 177.542 -0.935 18953 3646 1 4 . 1 1 138 138 PRO CA C 138 62.461 62.461 64.006 -1.545 18953 3647 1 4 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.182 1.011 18953 3648 1 4 . 1 1 139 139 ASN N N 139 113.240 113.240 116.741 -3.501 18953 3649 1 4 . 1 1 139 139 ASN HA H 139 3.356 3.356 4.014 -0.658 18953 3650 1 4 . 1 1 139 139 ASN C C 139 177.996 177.996 173.996 4.000 18953 3651 1 4 . 1 1 139 139 ASN CA C 139 54.247 54.247 53.895 0.352 18953 3652 1 4 . 1 1 139 139 ASN CB C 139 36.635 36.635 37.536 -0.901 18953 3653 1 4 . 1 1 139 139 ASN H H 139 9.683 9.683 8.195 1.488 18953 3654 1 4 . 1 1 140 140 TYR N N 140 113.289 113.289 109.685 3.604 18953 3655 1 4 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.029 -0.269 18953 3656 1 4 . 1 1 140 140 TYR C C 140 176.488 176.488 174.410 2.078 18953 3657 1 4 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.909 -3.613 18953 3658 1 4 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.902 -0.942 18953 3659 1 4 . 1 1 140 140 TYR H H 140 8.000 8.000 7.957 0.043 18953 3660 1 4 . 1 1 141 141 THR N N 141 108.766 108.766 114.512 -5.746 18953 3661 1 4 . 1 1 141 141 THR HA H 141 4.697 4.697 4.622 0.075 18953 3662 1 4 . 1 1 141 141 THR C C 141 178.578 178.578 173.600 4.978 18953 3663 1 4 . 1 1 141 141 THR CA C 141 60.128 60.128 61.775 -1.647 18953 3664 1 4 . 1 1 141 141 THR CB C 141 72.848 72.848 72.845 0.003 18953 3665 1 4 . 1 1 141 141 THR H H 141 6.280 6.280 8.221 -1.941 18953 3666 1 4 . 1 1 142 142 GLY N N 142 106.121 106.121 108.801 -2.680 18953 3667 1 4 . 1 1 142 142 GLY C C 142 177.117 177.117 173.171 3.946 18953 3668 1 4 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.672 -0.505 18953 3669 1 4 . 1 1 142 142 GLY H H 142 8.285 8.285 8.374 -0.089 18953 3670 1 4 . 1 1 143 143 ARG N N 143 120.212 120.212 120.613 -0.401 18953 3671 1 4 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.789 0.147 18953 3672 1 4 . 1 1 143 143 ARG C C 143 177.580 177.580 176.081 1.499 18953 3673 1 4 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.704 1.416 18953 3674 1 4 . 1 1 143 143 ARG CB C 143 31.156 31.156 30.010 1.146 18953 3675 1 4 . 1 1 143 143 ARG H H 143 8.583 8.583 8.519 0.064 18953 3676 1 4 . 1 1 144 144 GLN N N 144 119.516 119.516 123.251 -3.735 18953 3677 1 4 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.694 0.197 18953 3678 1 4 . 1 1 144 144 GLN C C 144 176.985 176.985 174.668 2.317 18953 3679 1 4 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.996 -1.674 18953 3680 1 4 . 1 1 144 144 GLN CB C 144 32.645 32.645 30.258 2.387 18953 3681 1 4 . 1 1 144 144 GLN H H 144 7.552 7.552 8.005 -0.453 18953 3682 1 4 . 1 1 145 145 PHE N N 145 114.745 114.745 123.986 -9.241 18953 3683 1 4 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.784 -0.127 18953 3684 1 4 . 1 1 145 145 PHE C C 145 176.969 176.969 174.221 2.748 18953 3685 1 4 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.632 -0.726 18953 3686 1 4 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.669 -0.402 18953 3687 1 4 . 1 1 145 145 PHE H H 145 8.696 8.696 9.008 -0.312 18953 3688 1 4 . 1 1 146 146 TYR N N 146 124.271 124.271 126.419 -2.148 18953 3689 1 4 . 1 1 146 146 TYR HA H 146 5.274 5.274 4.940 0.334 18953 3690 1 4 . 1 1 146 146 TYR C C 146 176.212 176.212 174.226 1.986 18953 3691 1 4 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.480 -1.740 18953 3692 1 4 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.559 -0.325 18953 3693 1 4 . 1 1 146 146 TYR H H 146 8.915 8.915 9.016 -0.101 18953 3694 1 4 . 1 1 147 147 LEU N N 147 103.207 103.207 129.416 -26.209 18953 3695 1 4 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.529 -0.138 18953 3696 1 4 . 1 1 147 147 LEU C C 147 178.198 178.198 175.396 2.802 18953 3697 1 4 . 1 1 147 147 LEU CA C 147 54.969 54.969 53.999 0.970 18953 3698 1 4 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.678 1.466 18953 3699 1 4 . 1 1 147 147 LEU H H 147 9.229 9.229 8.803 0.426 18953 3700 1 4 . 1 1 148 148 ARG N N 148 120.815 120.815 124.477 -3.662 18953 3701 1 4 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.907 -0.328 18953 3702 1 4 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.936 0.058 18953 3703 1 4 . 1 1 148 148 ARG CB C 148 29.256 29.256 30.161 -0.905 18953 3704 1 4 . 1 1 148 148 ARG H H 148 6.955 6.955 9.073 -2.118 18953 3705 1 4 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.225 -0.039 18953 3706 1 4 . 1 1 149 149 PRO C C 149 175.154 175.154 176.532 -1.378 18953 3707 1 4 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.135 1.720 18953 3708 1 4 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.992 -0.355 18953 3709 1 4 . 1 1 150 150 GLY N N 150 111.695 111.695 105.699 5.996 18953 3710 1 4 . 1 1 150 150 GLY C C 150 179.740 179.740 171.369 8.371 18953 3711 1 4 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.294 0.319 18953 3712 1 4 . 1 1 150 150 GLY H H 150 8.965 8.965 7.479 1.486 18953 3713 1 4 . 1 1 151 151 GLU N N 151 118.822 118.822 119.527 -0.705 18953 3714 1 4 . 1 1 151 151 GLU HA H 151 4.323 4.323 5.017 -0.694 18953 3715 1 4 . 1 1 151 151 GLU C C 151 176.078 176.078 174.989 1.089 18953 3716 1 4 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.068 1.485 18953 3717 1 4 . 1 1 151 151 GLU CB C 151 31.878 31.878 31.998 -0.120 18953 3718 1 4 . 1 1 151 151 GLU H H 151 8.403 8.403 8.200 0.203 18953 3719 1 4 . 1 1 152 152 TYR N N 152 123.055 123.055 122.172 0.883 18953 3720 1 4 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.961 -0.221 18953 3721 1 4 . 1 1 152 152 TYR C C 152 176.413 176.413 176.386 0.027 18953 3722 1 4 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.441 -0.471 18953 3723 1 4 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.626 -2.852 18953 3724 1 4 . 1 1 152 152 TYR H H 152 8.859 8.859 9.307 -0.448 18953 3725 1 4 . 1 1 153 153 ARG N N 153 124.271 124.271 118.270 6.001 18953 3726 1 4 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.670 -0.654 18953 3727 1 4 . 1 1 153 153 ARG C C 153 176.727 176.727 175.128 1.599 18953 3728 1 4 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.596 4.608 18953 3729 1 4 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.344 -2.004 18953 3730 1 4 . 1 1 153 153 ARG H H 153 8.882 8.882 9.175 -0.293 18953 3731 1 4 . 1 1 154 154 SER N N 154 111.500 111.500 112.941 -1.441 18953 3732 1 4 . 1 1 154 154 SER HA H 154 5.194 5.194 4.525 0.669 18953 3733 1 4 . 1 1 154 154 SER C C 154 176.379 176.379 173.721 2.658 18953 3734 1 4 . 1 1 154 154 SER CA C 154 56.894 56.894 56.444 0.451 18953 3735 1 4 . 1 1 154 154 SER CB C 154 66.352 66.352 64.878 1.474 18953 3736 1 4 . 1 1 154 154 SER H H 154 8.070 8.070 7.309 0.761 18953 3737 1 4 . 1 1 155 155 TYR N N 155 119.386 119.386 118.546 0.840 18953 3738 1 4 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.411 -2.248 18953 3739 1 4 . 1 1 155 155 TYR C C 155 174.639 174.639 176.260 -1.621 18953 3740 1 4 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.137 -1.768 18953 3741 1 4 . 1 1 155 155 TYR CB C 155 38.399 38.399 36.928 1.472 18953 3742 1 4 . 1 1 155 155 TYR H H 155 7.638 7.638 7.288 0.350 18953 3743 1 4 . 1 1 156 156 ASN N N 156 119.038 119.038 116.509 2.529 18953 3744 1 4 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.579 -0.459 18953 3745 1 4 . 1 1 156 156 ASN C C 156 172.889 172.889 175.481 -2.592 18953 3746 1 4 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.385 2.211 18953 3747 1 4 . 1 1 156 156 ASN CB C 156 38.621 38.621 37.956 0.665 18953 3748 1 4 . 1 1 156 156 ASN H H 156 6.819 6.819 7.387 -0.568 18953 3749 1 4 . 1 1 157 157 ASP N N 157 118.338 118.338 121.278 -2.940 18953 3750 1 4 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.487 0.094 18953 3751 1 4 . 1 1 157 157 ASP C C 157 173.908 173.908 177.381 -3.473 18953 3752 1 4 . 1 1 157 157 ASP CA C 157 57.382 57.382 57.209 0.173 18953 3753 1 4 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.217 0.410 18953 3754 1 4 . 1 1 157 157 ASP H H 157 7.791 7.791 7.670 0.121 18953 3755 1 4 . 1 1 158 158 TRP N N 158 114.610 114.610 118.772 -4.162 18953 3756 1 4 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.937 0.397 18953 3757 1 4 . 1 1 158 158 TRP C C 158 175.711 175.711 176.762 -1.051 18953 3758 1 4 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.893 0.176 18953 3759 1 4 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.564 -0.445 18953 3760 1 4 . 1 1 158 158 TRP H H 158 7.000 7.000 6.853 0.147 18953 3761 1 4 . 1 1 159 159 GLY N N 159 108.647 108.647 108.058 0.589 18953 3762 1 4 . 1 1 159 159 GLY C C 159 175.991 175.991 174.400 1.591 18953 3763 1 4 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.333 0.399 18953 3764 1 4 . 1 1 159 159 GLY H H 159 7.588 7.588 7.782 -0.194 18953 3765 1 4 . 1 1 160 160 GLY N N 160 107.348 107.348 106.620 0.728 18953 3766 1 4 . 1 1 160 160 GLY C C 160 178.604 178.604 172.963 5.641 18953 3767 1 4 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.515 1.841 18953 3768 1 4 . 1 1 160 160 GLY H H 160 7.326 7.326 7.842 -0.516 18953 3769 1 4 . 1 1 161 161 VAL N N 161 118.047 118.047 115.137 2.910 18953 3770 1 4 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.280 -0.028 18953 3771 1 4 . 1 1 161 161 VAL C C 161 175.118 175.118 175.189 -0.071 18953 3772 1 4 . 1 1 161 161 VAL CA C 161 63.303 63.303 62.273 1.030 18953 3773 1 4 . 1 1 161 161 VAL CB C 161 32.835 32.835 32.642 0.193 18953 3774 1 4 . 1 1 161 161 VAL H H 161 8.697 8.697 8.528 0.169 18953 3775 1 4 . 1 1 162 162 THR N N 162 111.630 111.630 110.688 0.942 18953 3776 1 4 . 1 1 162 162 THR HA H 162 3.659 3.659 4.392 -0.733 18953 3777 1 4 . 1 1 162 162 THR C C 162 179.191 179.191 174.078 5.113 18953 3778 1 4 . 1 1 162 162 THR CA C 162 59.431 59.431 60.400 -0.969 18953 3779 1 4 . 1 1 162 162 THR CB C 162 71.935 71.935 70.926 1.009 18953 3780 1 4 . 1 1 162 162 THR H H 162 7.864 7.864 7.644 0.220 18953 3781 1 4 . 1 1 163 163 SER N N 163 112.275 112.275 113.802 -1.527 18953 3782 1 4 . 1 1 163 163 SER HA H 163 4.018 4.018 4.874 -0.856 18953 3783 1 4 . 1 1 163 163 SER C C 163 178.307 178.307 174.468 3.839 18953 3784 1 4 . 1 1 163 163 SER CA C 163 57.968 57.968 58.428 -0.460 18953 3785 1 4 . 1 1 163 163 SER CB C 163 63.093 63.093 65.116 -2.023 18953 3786 1 4 . 1 1 163 163 SER H H 163 7.502 7.502 8.654 -1.152 18953 3787 1 4 . 1 1 164 164 ARG N N 164 122.770 122.770 124.164 -1.394 18953 3788 1 4 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.699 -0.274 18953 3789 1 4 . 1 1 164 164 ARG C C 164 175.003 175.003 175.196 -0.193 18953 3790 1 4 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.734 0.403 18953 3791 1 4 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.681 1.772 18953 3792 1 4 . 1 1 164 164 ARG H H 164 7.578 7.578 7.656 -0.078 18953 3793 1 4 . 1 1 165 165 MET N N 165 122.454 122.454 122.028 0.426 18953 3794 1 4 . 1 1 165 165 MET HA H 165 4.620 4.620 5.014 -0.394 18953 3795 1 4 . 1 1 165 165 MET C C 165 177.244 177.244 175.668 1.576 18953 3796 1 4 . 1 1 165 165 MET CA C 165 56.192 56.192 55.223 0.969 18953 3797 1 4 . 1 1 165 165 MET CB C 165 37.269 37.269 33.880 3.389 18953 3798 1 4 . 1 1 165 165 MET H H 165 8.480 8.480 8.800 -0.320 18953 3799 1 4 . 1 1 166 166 GLY N N 166 107.987 107.987 110.211 -2.224 18953 3800 1 4 . 1 1 166 166 GLY C C 166 177.648 177.648 173.520 4.128 18953 3801 1 4 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.844 0.848 18953 3802 1 4 . 1 1 166 166 GLY H H 166 9.046 9.046 8.634 0.412 18953 3803 1 4 . 1 1 167 167 SER N N 167 113.024 113.024 116.365 -3.341 18953 3804 1 4 . 1 1 167 167 SER HA H 167 4.562 4.562 5.578 -1.016 18953 3805 1 4 . 1 1 167 167 SER C C 167 179.104 179.104 172.703 6.401 18953 3806 1 4 . 1 1 167 167 SER CA C 167 58.729 58.729 56.347 2.382 18953 3807 1 4 . 1 1 167 167 SER CB C 167 64.816 64.816 65.269 -0.453 18953 3808 1 4 . 1 1 167 167 SER H H 167 8.257 8.257 8.008 0.249 18953 3809 1 4 . 1 1 168 168 ILE N N 168 118.927 118.927 123.378 -4.451 18953 3810 1 4 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.130 0.378 18953 3811 1 4 . 1 1 168 168 ILE C C 168 177.783 177.783 174.221 3.562 18953 3812 1 4 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.899 0.262 18953 3813 1 4 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.091 1.119 18953 3814 1 4 . 1 1 168 168 ILE H H 168 8.922 8.922 8.942 -0.020 18953 3815 1 4 . 1 1 169 169 ARG N N 169 124.820 124.820 125.111 -0.291 18953 3816 1 4 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.933 0.112 18953 3817 1 4 . 1 1 169 169 ARG C C 169 177.350 177.350 174.047 3.303 18953 3818 1 4 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.507 -0.322 18953 3819 1 4 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.724 0.267 18953 3820 1 4 . 1 1 169 169 ARG H H 169 9.757 9.757 9.296 0.461 18953 3821 1 4 . 1 1 170 170 ARG N N 170 122.951 122.951 125.554 -2.603 18953 3822 1 4 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.961 -0.696 18953 3823 1 4 . 1 1 170 170 ARG C C 170 174.373 174.373 175.555 -1.182 18953 3824 1 4 . 1 1 170 170 ARG CA C 170 55.170 55.170 53.645 1.524 18953 3825 1 4 . 1 1 170 170 ARG CB C 170 30.150 30.150 28.706 1.444 18953 3826 1 4 . 1 1 170 170 ARG H H 170 8.552 8.552 8.653 -0.101 18953 3827 1 4 . 1 1 171 171 ILE N N 171 123.280 123.280 125.743 -2.463 18953 3828 1 4 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.686 0.116 18953 3829 1 4 . 1 1 171 171 ILE C C 171 177.088 177.088 175.434 1.654 18953 3830 1 4 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.807 -0.246 18953 3831 1 4 . 1 1 171 171 ILE CB C 171 36.326 36.326 36.488 -0.162 18953 3832 1 4 . 1 1 171 171 ILE H H 171 8.424 8.424 8.390 0.034 18953 3833 1 4 . 1 1 172 172 THR N N 172 117.270 117.270 121.335 -4.065 18953 3834 1 4 . 1 1 172 172 THR HA H 172 4.558 4.558 4.212 0.346 18953 3835 1 4 . 1 1 172 172 THR C C 172 177.651 177.651 172.954 4.697 18953 3836 1 4 . 1 1 172 172 THR CA C 172 60.095 60.095 61.058 -0.963 18953 3837 1 4 . 1 1 172 172 THR CB C 172 70.040 70.040 67.563 2.477 18953 3838 1 4 . 1 1 172 172 THR H H 172 7.299 7.299 7.932 -0.633 18953 3839 1 4 . 1 1 173 173 ASP N N 173 121.598 121.598 121.580 0.018 18953 3840 1 4 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.620 -0.175 18953 3841 1 4 . 1 1 173 173 ASP C C 173 177.041 177.041 175.652 1.389 18953 3842 1 4 . 1 1 173 173 ASP CA C 173 55.010 55.010 53.938 1.072 18953 3843 1 4 . 1 1 173 173 ASP CB C 173 41.524 41.524 40.171 1.353 18953 3844 1 4 . 1 1 173 173 ASP H H 173 8.477 8.477 7.798 0.679 18953 3845 1 5 . 1 1 2 2 GLY C C 2 182.782 182.782 173.080 9.702 18953 3846 1 5 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.015 -1.468 18953 3847 1 5 . 1 1 3 3 LYS N N 3 120.153 120.153 119.922 0.231 18953 3848 1 5 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.603 0.412 18953 3849 1 5 . 1 1 3 3 LYS C C 3 179.140 179.140 173.654 5.486 18953 3850 1 5 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.647 1.663 18953 3851 1 5 . 1 1 3 3 LYS CB C 3 35.698 35.698 36.615 -0.917 18953 3852 1 5 . 1 1 3 3 LYS H H 3 8.398 8.398 8.091 0.307 18953 3853 1 5 . 1 1 4 4 ILE N N 4 129.769 129.769 124.756 5.013 18953 3854 1 5 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.827 -0.221 18953 3855 1 5 . 1 1 4 4 ILE C C 4 180.618 180.618 173.062 7.556 18953 3856 1 5 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.926 -0.526 18953 3857 1 5 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.808 -0.789 18953 3858 1 5 . 1 1 4 4 ILE H H 4 8.871 8.871 8.343 0.528 18953 3859 1 5 . 1 1 5 5 ILE N N 5 125.103 125.103 127.949 -2.846 18953 3860 1 5 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.947 -0.439 18953 3861 1 5 . 1 1 5 5 ILE C C 5 177.516 177.516 175.047 2.469 18953 3862 1 5 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.633 1.196 18953 3863 1 5 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.215 0.202 18953 3864 1 5 . 1 1 5 5 ILE H H 5 8.788 8.788 8.685 0.103 18953 3865 1 5 . 1 1 6 6 PHE N N 6 125.558 125.558 126.067 -0.509 18953 3866 1 5 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.825 -0.202 18953 3867 1 5 . 1 1 6 6 PHE C C 6 176.512 176.512 174.871 1.641 18953 3868 1 5 . 1 1 6 6 PHE CA C 6 57.219 57.219 57.460 -0.241 18953 3869 1 5 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.127 0.356 18953 3870 1 5 . 1 1 6 6 PHE H H 6 8.540 8.540 9.212 -0.672 18953 3871 1 5 . 1 1 7 7 TYR N N 7 120.647 120.647 119.736 0.911 18953 3872 1 5 . 1 1 7 7 TYR HA H 7 5.171 5.171 5.085 0.086 18953 3873 1 5 . 1 1 7 7 TYR C C 7 173.898 173.898 175.432 -1.534 18953 3874 1 5 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.443 0.003 18953 3875 1 5 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.450 -3.140 18953 3876 1 5 . 1 1 7 7 TYR H H 7 8.889 8.889 9.339 -0.450 18953 3877 1 5 . 1 1 8 8 GLU N N 8 122.007 122.007 122.573 -0.566 18953 3878 1 5 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.248 -0.067 18953 3879 1 5 . 1 1 8 8 GLU C C 8 174.881 174.881 176.816 -1.935 18953 3880 1 5 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.316 1.750 18953 3881 1 5 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.705 1.347 18953 3882 1 5 . 1 1 8 8 GLU H H 8 8.756 8.756 8.773 -0.017 18953 3883 1 5 . 1 1 9 9 ASP N N 9 114.203 114.203 120.295 -6.092 18953 3884 1 5 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.627 0.595 18953 3885 1 5 . 1 1 9 9 ASP CA C 9 52.366 52.366 54.055 -1.689 18953 3886 1 5 . 1 1 9 9 ASP CB C 9 43.436 43.436 41.404 2.032 18953 3887 1 5 . 1 1 9 9 ASP H H 9 7.977 7.977 7.890 0.087 18953 3888 1 5 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.588 -1.469 18953 3889 1 5 . 1 1 11 11 ASN CA C 11 56.660 56.660 53.161 3.499 18953 3890 1 5 . 1 1 11 11 ASN CB C 11 35.050 35.050 37.608 -2.558 18953 3891 1 5 . 1 1 13 13 GLY C C 13 178.281 178.281 174.132 4.149 18953 3892 1 5 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.495 -0.049 18953 3893 1 5 . 1 1 14 14 GLY N N 14 105.348 105.348 109.385 -4.037 18953 3894 1 5 . 1 1 14 14 GLY C C 14 176.463 176.463 174.427 2.036 18953 3895 1 5 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.196 -0.085 18953 3896 1 5 . 1 1 14 14 GLY H H 14 8.261 8.261 7.949 0.312 18953 3897 1 5 . 1 1 15 15 ARG N N 15 119.637 119.637 124.120 -4.483 18953 3898 1 5 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.474 -0.263 18953 3899 1 5 . 1 1 15 15 ARG C C 15 176.574 176.574 175.941 0.633 18953 3900 1 5 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.389 0.943 18953 3901 1 5 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.994 0.418 18953 3902 1 5 . 1 1 15 15 ARG H H 15 8.579 8.579 8.407 0.172 18953 3903 1 5 . 1 1 16 16 TYR N N 16 114.846 114.846 121.768 -6.922 18953 3904 1 5 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.252 0.606 18953 3905 1 5 . 1 1 16 16 TYR C C 16 176.510 176.510 174.483 2.027 18953 3906 1 5 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.843 -0.230 18953 3907 1 5 . 1 1 16 16 TYR CB C 16 42.418 42.418 41.089 1.329 18953 3908 1 5 . 1 1 16 16 TYR H H 16 7.617 7.617 8.223 -0.606 18953 3909 1 5 . 1 1 17 17 HIS N N 17 118.443 118.443 119.633 -1.190 18953 3910 1 5 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.721 0.089 18953 3911 1 5 . 1 1 17 17 HIS C C 17 177.970 177.970 173.686 4.284 18953 3912 1 5 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.587 -0.025 18953 3913 1 5 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.378 0.226 18953 3914 1 5 . 1 1 17 17 HIS H H 17 8.785 8.785 8.725 0.060 18953 3915 1 5 . 1 1 18 18 GLU N N 18 126.223 126.223 124.794 1.429 18953 3916 1 5 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.823 0.015 18953 3917 1 5 . 1 1 18 18 GLU C C 18 176.504 176.504 175.353 1.151 18953 3918 1 5 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.399 -0.300 18953 3919 1 5 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.059 2.063 18953 3920 1 5 . 1 1 18 18 GLU H H 18 8.529 8.529 8.644 -0.115 18953 3921 1 5 . 1 1 19 19 CYS N N 19 121.383 121.383 123.867 -2.484 18953 3922 1 5 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.737 -0.080 18953 3923 1 5 . 1 1 19 19 CYS C C 19 178.018 178.018 174.098 3.920 18953 3924 1 5 . 1 1 19 19 CYS CA C 19 58.777 58.777 58.237 0.540 18953 3925 1 5 . 1 1 19 19 CYS CB C 19 29.812 29.812 30.776 -0.964 18953 3926 1 5 . 1 1 19 19 CYS H H 19 9.163 9.163 9.075 0.088 18953 3927 1 5 . 1 1 20 20 MET N N 20 126.877 126.877 121.930 4.947 18953 3928 1 5 . 1 1 20 20 MET HA H 20 5.295 5.295 4.636 0.659 18953 3929 1 5 . 1 1 20 20 MET C C 20 176.776 176.776 174.879 1.897 18953 3930 1 5 . 1 1 20 20 MET CA C 20 55.260 55.260 55.914 -0.654 18953 3931 1 5 . 1 1 20 20 MET CB C 20 33.370 33.370 34.032 -0.662 18953 3932 1 5 . 1 1 20 20 MET H H 20 8.995 8.995 8.916 0.079 18953 3933 1 5 . 1 1 21 21 SER N N 21 179.042 179.042 113.588 65.454 18953 3934 1 5 . 1 1 21 21 SER HA H 21 4.658 4.658 4.727 -0.069 18953 3935 1 5 . 1 1 21 21 SER C C 21 179.042 179.042 172.790 6.252 18953 3936 1 5 . 1 1 21 21 SER CA C 21 57.586 57.586 56.845 0.741 18953 3937 1 5 . 1 1 21 21 SER CB C 21 65.782 65.782 65.519 0.263 18953 3938 1 5 . 1 1 21 21 SER H H 21 7.990 7.990 7.831 0.159 18953 3939 1 5 . 1 1 22 22 ASP N N 22 117.203 117.203 119.324 -2.121 18953 3940 1 5 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.615 0.336 18953 3941 1 5 . 1 1 22 22 ASP C C 22 173.564 173.564 175.753 -2.189 18953 3942 1 5 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.397 1.075 18953 3943 1 5 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.970 0.849 18953 3944 1 5 . 1 1 22 22 ASP H H 22 8.317 8.317 8.392 -0.075 18953 3945 1 5 . 1 1 23 23 CYS N N 23 121.308 121.308 120.205 1.103 18953 3946 1 5 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.765 0.026 18953 3947 1 5 . 1 1 23 23 CYS C C 23 177.265 177.265 174.333 2.932 18953 3948 1 5 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.822 2.141 18953 3949 1 5 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.809 -1.397 18953 3950 1 5 . 1 1 23 23 CYS H H 23 9.410 9.410 9.064 0.346 18953 3951 1 5 . 1 1 24 24 ALA N N 24 131.693 131.693 129.905 1.788 18953 3952 1 5 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.983 -0.461 18953 3953 1 5 . 1 1 24 24 ALA C C 24 175.455 175.455 175.632 -0.177 18953 3954 1 5 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.389 2.225 18953 3955 1 5 . 1 1 24 24 ALA CB C 24 19.175 19.175 18.986 0.189 18953 3956 1 5 . 1 1 24 24 ALA H H 24 9.210 9.210 8.804 0.406 18953 3957 1 5 . 1 1 25 25 ASP N N 25 113.873 113.873 118.350 -4.477 18953 3958 1 5 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.938 -0.043 18953 3959 1 5 . 1 1 25 25 ASP C C 25 174.970 174.970 175.623 -0.653 18953 3960 1 5 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.685 0.235 18953 3961 1 5 . 1 1 25 25 ASP CB C 25 40.564 40.564 41.709 -1.145 18953 3962 1 5 . 1 1 25 25 ASP H H 25 7.524 7.524 7.518 0.006 18953 3963 1 5 . 1 1 26 26 LEU N N 26 127.166 127.166 125.238 1.928 18953 3964 1 5 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.242 -0.243 18953 3965 1 5 . 1 1 26 26 LEU C C 26 173.727 173.727 176.980 -3.253 18953 3966 1 5 . 1 1 26 26 LEU CA C 26 56.151 56.151 55.095 1.056 18953 3967 1 5 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.291 0.068 18953 3968 1 5 . 1 1 26 26 LEU H H 26 8.495 8.495 8.952 -0.457 18953 3969 1 5 . 1 1 27 27 HIS N N 27 118.732 118.732 120.105 -1.373 18953 3970 1 5 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.280 0.257 18953 3971 1 5 . 1 1 27 27 HIS C C 27 175.667 175.667 175.848 -0.181 18953 3972 1 5 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.221 -1.428 18953 3973 1 5 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.473 -1.435 18953 3974 1 5 . 1 1 27 27 HIS H H 27 8.446 8.446 7.993 0.453 18953 3975 1 5 . 1 1 28 28 SER N N 28 112.598 112.598 112.607 -0.009 18953 3976 1 5 . 1 1 28 28 SER HA H 28 3.792 3.792 4.091 -0.299 18953 3977 1 5 . 1 1 28 28 SER C C 28 177.551 177.551 176.173 1.378 18953 3978 1 5 . 1 1 28 28 SER CA C 28 60.406 60.406 60.917 -0.511 18953 3979 1 5 . 1 1 28 28 SER CB C 28 62.814 62.814 63.045 -0.231 18953 3980 1 5 . 1 1 28 28 SER H H 28 7.237 7.237 7.831 -0.594 18953 3981 1 5 . 1 1 29 29 TYR N N 29 118.301 118.301 118.522 -0.221 18953 3982 1 5 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.067 0.235 18953 3983 1 5 . 1 1 29 29 TYR C C 29 176.283 176.283 175.979 0.304 18953 3984 1 5 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.863 -2.195 18953 3985 1 5 . 1 1 29 29 TYR CB C 29 39.471 39.471 38.504 0.967 18953 3986 1 5 . 1 1 29 29 TYR H H 29 7.224 7.224 7.502 -0.278 18953 3987 1 5 . 1 1 30 30 PHE N N 30 112.713 112.713 111.931 0.782 18953 3988 1 5 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.716 -0.034 18953 3989 1 5 . 1 1 30 30 PHE C C 30 177.785 177.785 174.457 3.328 18953 3990 1 5 . 1 1 30 30 PHE CA C 30 55.924 55.924 56.051 -0.127 18953 3991 1 5 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.251 -0.506 18953 3992 1 5 . 1 1 30 30 PHE H H 30 7.173 7.173 7.351 -0.178 18953 3993 1 5 . 1 1 31 31 ASN N N 31 115.959 115.959 119.320 -3.361 18953 3994 1 5 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.236 0.474 18953 3995 1 5 . 1 1 31 31 ASN C C 31 176.537 176.537 174.390 2.147 18953 3996 1 5 . 1 1 31 31 ASN CA C 31 53.551 53.551 52.637 0.914 18953 3997 1 5 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.123 0.933 18953 3998 1 5 . 1 1 31 31 ASN H H 31 8.918 8.918 8.649 0.269 18953 3999 1 5 . 1 1 32 32 ARG N N 32 117.693 117.693 117.891 -0.198 18953 4000 1 5 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.617 0.010 18953 4001 1 5 . 1 1 32 32 ARG C C 32 178.177 178.177 173.710 4.467 18953 4002 1 5 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.813 -0.657 18953 4003 1 5 . 1 1 32 32 ARG CB C 32 33.091 33.091 34.108 -1.017 18953 4004 1 5 . 1 1 32 32 ARG H H 32 7.893 7.893 7.751 0.142 18953 4005 1 5 . 1 1 33 33 CYS N N 33 119.494 119.494 120.319 -0.825 18953 4006 1 5 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.674 0.278 18953 4007 1 5 . 1 1 33 33 CYS C C 33 176.223 176.223 173.743 2.480 18953 4008 1 5 . 1 1 33 33 CYS CA C 33 58.307 58.307 57.852 0.454 18953 4009 1 5 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.673 -0.922 18953 4010 1 5 . 1 1 33 33 CYS H H 33 8.161 8.161 8.695 -0.534 18953 4011 1 5 . 1 1 34 34 HIS N N 34 126.786 126.786 125.362 1.424 18953 4012 1 5 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.295 0.727 18953 4013 1 5 . 1 1 34 34 HIS C C 34 176.224 176.224 174.055 2.169 18953 4014 1 5 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.258 0.440 18953 4015 1 5 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.484 1.825 18953 4016 1 5 . 1 1 34 34 HIS H H 34 8.325 8.325 8.648 -0.323 18953 4017 1 5 . 1 1 35 35 SER N N 35 113.132 113.132 114.507 -1.375 18953 4018 1 5 . 1 1 35 35 SER HA H 35 5.264 5.264 5.326 -0.062 18953 4019 1 5 . 1 1 35 35 SER C C 35 179.093 179.093 172.482 6.611 18953 4020 1 5 . 1 1 35 35 SER CA C 35 59.951 59.951 56.619 3.332 18953 4021 1 5 . 1 1 35 35 SER CB C 35 65.754 65.754 64.784 0.970 18953 4022 1 5 . 1 1 35 35 SER H H 35 8.489 8.489 8.029 0.460 18953 4023 1 5 . 1 1 36 36 ILE N N 36 119.607 119.607 124.622 -5.015 18953 4024 1 5 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.537 0.832 18953 4025 1 5 . 1 1 36 36 ILE C C 36 176.313 176.313 173.814 2.499 18953 4026 1 5 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.302 0.192 18953 4027 1 5 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.630 3.140 18953 4028 1 5 . 1 1 36 36 ILE H H 36 8.579 8.579 8.856 -0.277 18953 4029 1 5 . 1 1 37 37 ARG N N 37 126.328 126.328 125.744 0.584 18953 4030 1 5 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.874 0.085 18953 4031 1 5 . 1 1 37 37 ARG C C 37 176.785 176.785 174.373 2.412 18953 4032 1 5 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.261 0.853 18953 4033 1 5 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.240 1.094 18953 4034 1 5 . 1 1 37 37 ARG H H 37 9.342 9.342 8.797 0.545 18953 4035 1 5 . 1 1 38 38 VAL N N 38 125.466 125.466 128.303 -2.837 18953 4036 1 5 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.340 -0.016 18953 4037 1 5 . 1 1 38 38 VAL C C 38 175.196 175.196 175.913 -0.717 18953 4038 1 5 . 1 1 38 38 VAL CA C 38 62.436 62.436 62.511 -0.075 18953 4039 1 5 . 1 1 38 38 VAL CB C 38 31.674 31.674 31.967 -0.293 18953 4040 1 5 . 1 1 38 38 VAL H H 38 9.122 9.122 8.852 0.270 18953 4041 1 5 . 1 1 39 39 GLU N N 39 128.582 128.582 128.721 -0.139 18953 4042 1 5 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.263 -0.179 18953 4043 1 5 . 1 1 39 39 GLU C C 39 175.200 175.200 176.421 -1.221 18953 4044 1 5 . 1 1 39 39 GLU CA C 39 58.498 58.498 58.151 0.347 18953 4045 1 5 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.868 0.962 18953 4046 1 5 . 1 1 39 39 GLU H H 39 8.258 8.258 8.567 -0.309 18953 4047 1 5 . 1 1 40 40 SER N N 40 108.412 108.412 110.045 -1.633 18953 4048 1 5 . 1 1 40 40 SER HA H 40 4.343 4.343 4.473 -0.130 18953 4049 1 5 . 1 1 40 40 SER C C 40 178.000 178.000 173.019 4.981 18953 4050 1 5 . 1 1 40 40 SER CA C 40 57.623 57.623 58.038 -0.415 18953 4051 1 5 . 1 1 40 40 SER CB C 40 64.539 64.539 64.182 0.357 18953 4052 1 5 . 1 1 40 40 SER H H 40 7.753 7.753 7.339 0.414 18953 4053 1 5 . 1 1 41 41 GLY N N 41 109.451 109.451 113.597 -4.146 18953 4054 1 5 . 1 1 41 41 GLY C C 41 179.855 179.855 172.558 7.297 18953 4055 1 5 . 1 1 41 41 GLY CA C 41 44.884 44.884 45.061 -0.177 18953 4056 1 5 . 1 1 41 41 GLY H H 41 8.714 8.714 8.558 0.156 18953 4057 1 5 . 1 1 42 42 CYS N N 42 112.295 112.295 120.190 -7.895 18953 4058 1 5 . 1 1 42 42 CYS HA H 42 4.934 4.934 4.827 0.107 18953 4059 1 5 . 1 1 42 42 CYS C C 42 178.663 178.663 172.849 5.814 18953 4060 1 5 . 1 1 42 42 CYS CA C 42 56.877 56.877 58.462 -1.585 18953 4061 1 5 . 1 1 42 42 CYS CB C 42 31.679 31.679 32.012 -0.333 18953 4062 1 5 . 1 1 42 42 CYS H H 42 7.794 7.794 8.376 -0.582 18953 4063 1 5 . 1 1 43 43 PHE N N 43 118.841 118.841 122.141 -3.300 18953 4064 1 5 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.666 0.458 18953 4065 1 5 . 1 1 43 43 PHE C C 43 178.045 178.045 172.559 5.486 18953 4066 1 5 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.228 -0.738 18953 4067 1 5 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.928 1.029 18953 4068 1 5 . 1 1 43 43 PHE H H 43 8.509 8.509 8.448 0.061 18953 4069 1 5 . 1 1 44 44 MET N N 44 119.494 119.494 125.606 -6.112 18953 4070 1 5 . 1 1 44 44 MET HA H 44 5.442 5.442 4.903 0.539 18953 4071 1 5 . 1 1 44 44 MET C C 44 174.336 174.336 173.777 0.559 18953 4072 1 5 . 1 1 44 44 MET CA C 44 52.992 52.992 52.851 0.141 18953 4073 1 5 . 1 1 44 44 MET CB C 44 33.835 33.835 35.229 -1.394 18953 4074 1 5 . 1 1 44 44 MET H H 44 9.110 9.110 8.239 0.871 18953 4075 1 5 . 1 1 45 45 VAL N N 45 117.666 117.666 123.103 -5.437 18953 4076 1 5 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.767 0.620 18953 4077 1 5 . 1 1 45 45 VAL C C 45 177.844 177.844 173.579 4.265 18953 4078 1 5 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.919 -0.286 18953 4079 1 5 . 1 1 45 45 VAL CB C 45 34.280 34.280 34.258 0.022 18953 4080 1 5 . 1 1 45 45 VAL H H 45 9.345 9.345 8.702 0.643 18953 4081 1 5 . 1 1 46 46 TYR N N 46 117.876 117.876 123.312 -5.436 18953 4082 1 5 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.232 0.773 18953 4083 1 5 . 1 1 46 46 TYR C C 46 173.152 173.152 175.709 -2.557 18953 4084 1 5 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.389 -0.706 18953 4085 1 5 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.347 -1.322 18953 4086 1 5 . 1 1 46 46 TYR H H 46 8.145 8.145 9.426 -1.281 18953 4087 1 5 . 1 1 47 47 ASP N N 47 119.783 119.783 122.507 -2.724 18953 4088 1 5 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.673 0.212 18953 4089 1 5 . 1 1 47 47 ASP C C 47 176.040 176.040 175.803 0.237 18953 4090 1 5 . 1 1 47 47 ASP CA C 47 53.826 53.826 54.813 -0.987 18953 4091 1 5 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.995 -0.928 18953 4092 1 5 . 1 1 47 47 ASP H H 47 8.690 8.690 8.652 0.038 18953 4093 1 5 . 1 1 48 48 ARG N N 48 116.008 116.008 116.607 -0.599 18953 4094 1 5 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.634 0.104 18953 4095 1 5 . 1 1 48 48 ARG C C 48 175.495 175.495 175.036 0.459 18953 4096 1 5 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.370 -0.025 18953 4097 1 5 . 1 1 48 48 ARG CB C 48 34.662 34.662 33.773 0.889 18953 4098 1 5 . 1 1 48 48 ARG H H 48 7.627 7.627 7.920 -0.293 18953 4099 1 5 . 1 1 49 49 THR N N 49 110.526 110.526 113.798 -3.272 18953 4100 1 5 . 1 1 49 49 THR HA H 49 3.790 3.790 4.294 -0.504 18953 4101 1 5 . 1 1 49 49 THR C C 49 176.951 176.951 174.487 2.464 18953 4102 1 5 . 1 1 49 49 THR CA C 49 62.112 62.112 62.352 -0.241 18953 4103 1 5 . 1 1 49 49 THR CB C 49 70.189 70.189 69.165 1.025 18953 4104 1 5 . 1 1 49 49 THR H H 49 8.173 8.173 8.199 -0.026 18953 4105 1 5 . 1 1 50 50 ASN N N 50 112.515 112.515 118.955 -6.440 18953 4106 1 5 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.453 -0.204 18953 4107 1 5 . 1 1 50 50 ASN C C 50 178.172 178.172 173.572 4.600 18953 4108 1 5 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.699 0.678 18953 4109 1 5 . 1 1 50 50 ASN CB C 50 36.907 36.907 37.063 -0.156 18953 4110 1 5 . 1 1 50 50 ASN H H 50 9.654 9.654 8.210 1.444 18953 4111 1 5 . 1 1 51 51 PHE N N 51 110.557 110.557 108.777 1.780 18953 4112 1 5 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.826 -0.176 18953 4113 1 5 . 1 1 51 51 PHE C C 51 176.292 176.292 173.750 2.542 18953 4114 1 5 . 1 1 51 51 PHE CA C 51 55.668 55.668 57.791 -2.123 18953 4115 1 5 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.310 0.621 18953 4116 1 5 . 1 1 51 51 PHE H H 51 7.568 7.568 7.897 -0.329 18953 4117 1 5 . 1 1 52 52 MET N N 52 117.547 117.547 117.396 0.151 18953 4118 1 5 . 1 1 52 52 MET HA H 52 4.859 4.859 5.020 -0.161 18953 4119 1 5 . 1 1 52 52 MET C C 52 177.399 177.399 175.430 1.969 18953 4120 1 5 . 1 1 52 52 MET CA C 52 53.946 53.946 54.010 -0.064 18953 4121 1 5 . 1 1 52 52 MET CB C 52 35.335 35.335 37.287 -1.952 18953 4122 1 5 . 1 1 52 52 MET H H 52 6.355 6.355 7.352 -0.997 18953 4123 1 5 . 1 1 53 53 GLY N N 53 103.445 103.445 107.060 -3.615 18953 4124 1 5 . 1 1 53 53 GLY C C 53 175.327 175.327 174.222 1.105 18953 4125 1 5 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.738 -0.155 18953 4126 1 5 . 1 1 53 53 GLY H H 53 8.256 8.256 8.559 -0.303 18953 4127 1 5 . 1 1 54 54 ARG N N 54 124.195 124.195 122.583 1.612 18953 4128 1 5 . 1 1 54 54 ARG HA H 54 4.162 4.162 3.988 0.174 18953 4129 1 5 . 1 1 54 54 ARG C C 54 177.235 177.235 175.723 1.512 18953 4130 1 5 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.030 0.170 18953 4131 1 5 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.291 0.924 18953 4132 1 5 . 1 1 54 54 ARG H H 54 9.034 9.034 8.636 0.398 18953 4133 1 5 . 1 1 55 55 GLN N N 55 118.867 118.867 122.201 -3.334 18953 4134 1 5 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.657 0.362 18953 4135 1 5 . 1 1 55 55 GLN C C 55 176.166 176.166 174.699 1.467 18953 4136 1 5 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.434 -1.320 18953 4137 1 5 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.502 0.969 18953 4138 1 5 . 1 1 55 55 GLN H H 55 7.657 7.657 8.100 -0.443 18953 4139 1 5 . 1 1 56 56 TYR N N 56 117.323 117.323 121.636 -4.313 18953 4140 1 5 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.717 -0.267 18953 4141 1 5 . 1 1 56 56 TYR C C 56 177.276 177.276 174.208 3.068 18953 4142 1 5 . 1 1 56 56 TYR CA C 56 57.213 57.213 57.004 0.209 18953 4143 1 5 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.155 -0.595 18953 4144 1 5 . 1 1 56 56 TYR H H 56 8.704 8.704 8.706 -0.002 18953 4145 1 5 . 1 1 57 57 PHE N N 57 125.557 125.557 124.846 0.711 18953 4146 1 5 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.831 0.386 18953 4147 1 5 . 1 1 57 57 PHE C C 57 176.412 176.412 174.180 2.232 18953 4148 1 5 . 1 1 57 57 PHE CA C 57 58.371 58.371 57.064 1.307 18953 4149 1 5 . 1 1 57 57 PHE CB C 57 40.989 40.989 40.038 0.951 18953 4150 1 5 . 1 1 57 57 PHE H H 57 8.600 8.600 8.862 -0.262 18953 4151 1 5 . 1 1 58 58 LEU N N 58 129.141 129.141 129.547 -0.406 18953 4152 1 5 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.549 -0.194 18953 4153 1 5 . 1 1 58 58 LEU C C 58 177.356 177.356 175.147 2.209 18953 4154 1 5 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.402 0.448 18953 4155 1 5 . 1 1 58 58 LEU CB C 58 44.886 44.886 43.256 1.630 18953 4156 1 5 . 1 1 58 58 LEU H H 58 8.969 8.969 8.349 0.620 18953 4157 1 5 . 1 1 59 59 ARG N N 59 118.569 118.569 122.375 -3.806 18953 4158 1 5 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.441 0.122 18953 4159 1 5 . 1 1 59 59 ARG C C 59 175.341 175.341 175.629 -0.288 18953 4160 1 5 . 1 1 59 59 ARG CA C 59 53.734 53.734 54.164 -0.430 18953 4161 1 5 . 1 1 59 59 ARG CB C 59 32.396 32.396 32.096 0.300 18953 4162 1 5 . 1 1 59 59 ARG H H 59 7.107 7.107 8.435 -1.328 18953 4163 1 5 . 1 1 60 60 ARG N N 60 121.635 121.635 122.314 -0.679 18953 4164 1 5 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.895 0.070 18953 4165 1 5 . 1 1 60 60 ARG C C 60 175.525 175.525 175.625 -0.100 18953 4166 1 5 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.791 0.163 18953 4167 1 5 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.715 1.175 18953 4168 1 5 . 1 1 60 60 ARG H H 60 8.258 8.258 7.997 0.261 18953 4169 1 5 . 1 1 61 61 GLY N N 61 112.955 112.955 114.146 -1.191 18953 4170 1 5 . 1 1 61 61 GLY C C 61 180.518 180.518 171.658 8.860 18953 4171 1 5 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.770 -0.092 18953 4172 1 5 . 1 1 61 61 GLY H H 61 8.706 8.706 8.088 0.618 18953 4173 1 5 . 1 1 62 62 GLU N N 62 117.563 117.563 120.006 -2.443 18953 4174 1 5 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.612 -0.063 18953 4175 1 5 . 1 1 62 62 GLU C C 62 176.249 176.249 175.297 0.952 18953 4176 1 5 . 1 1 62 62 GLU CA C 62 55.813 55.813 55.320 0.493 18953 4177 1 5 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.859 0.985 18953 4178 1 5 . 1 1 62 62 GLU H H 62 8.161 8.161 8.374 -0.213 18953 4179 1 5 . 1 1 63 63 TYR N N 63 119.057 119.057 125.320 -6.263 18953 4180 1 5 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.994 0.182 18953 4181 1 5 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.155 -0.882 18953 4182 1 5 . 1 1 63 63 TYR CB C 63 38.048 38.048 38.796 -0.748 18953 4183 1 5 . 1 1 63 63 TYR H H 63 8.827 8.827 8.986 -0.159 18953 4184 1 5 . 1 1 64 64 PRO HA H 64 3.684 3.684 3.966 -0.282 18953 4185 1 5 . 1 1 64 64 PRO CA C 64 64.970 64.970 64.031 0.939 18953 4186 1 5 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.151 -0.016 18953 4187 1 5 . 1 1 65 65 ASP N N 65 118.810 118.810 112.984 5.826 18953 4188 1 5 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.359 -0.312 18953 4189 1 5 . 1 1 65 65 ASP C C 65 174.175 174.175 174.939 -0.764 18953 4190 1 5 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.356 0.218 18953 4191 1 5 . 1 1 65 65 ASP CB C 65 39.805 39.805 44.551 -4.746 18953 4192 1 5 . 1 1 65 65 ASP H H 65 8.600 8.600 7.591 1.009 18953 4193 1 5 . 1 1 66 66 TYR N N 66 119.662 119.662 114.817 4.845 18953 4194 1 5 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.878 -0.477 18953 4195 1 5 . 1 1 66 66 TYR C C 66 175.431 175.431 175.784 -0.353 18953 4196 1 5 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.704 3.269 18953 4197 1 5 . 1 1 66 66 TYR CB C 66 38.024 38.024 40.247 -2.223 18953 4198 1 5 . 1 1 66 66 TYR H H 66 6.530 6.530 8.026 -1.496 18953 4199 1 5 . 1 1 67 67 MET N N 67 121.502 121.502 119.613 1.889 18953 4200 1 5 . 1 1 67 67 MET HA H 67 3.626 3.626 3.902 -0.276 18953 4201 1 5 . 1 1 67 67 MET C C 67 172.742 172.742 177.947 -5.205 18953 4202 1 5 . 1 1 67 67 MET CA C 67 59.998 59.998 59.648 0.350 18953 4203 1 5 . 1 1 67 67 MET CB C 67 32.064 32.064 32.318 -0.254 18953 4204 1 5 . 1 1 67 67 MET H H 67 8.299 8.299 7.726 0.573 18953 4205 1 5 . 1 1 68 68 ARG N N 68 116.824 116.824 115.815 1.009 18953 4206 1 5 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.298 -0.143 18953 4207 1 5 . 1 1 68 68 ARG C C 68 171.982 171.982 176.970 -4.988 18953 4208 1 5 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.031 0.569 18953 4209 1 5 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.116 0.939 18953 4210 1 5 . 1 1 68 68 ARG H H 68 6.919 6.919 8.297 -1.378 18953 4211 1 5 . 1 1 69 69 THR N N 69 111.292 111.292 109.149 2.143 18953 4212 1 5 . 1 1 69 69 THR HA H 69 4.101 4.101 4.290 -0.189 18953 4213 1 5 . 1 1 69 69 THR C C 69 174.584 174.584 174.926 -0.342 18953 4214 1 5 . 1 1 69 69 THR CA C 69 65.512 65.512 64.043 1.470 18953 4215 1 5 . 1 1 69 69 THR CB C 69 68.821 68.821 68.945 -0.124 18953 4216 1 5 . 1 1 69 69 THR H H 69 8.020 8.020 7.720 0.300 18953 4217 1 5 . 1 1 70 70 MET N N 70 117.481 117.481 118.744 -1.263 18953 4218 1 5 . 1 1 70 70 MET HA H 70 4.496 4.496 4.550 -0.054 18953 4219 1 5 . 1 1 70 70 MET C C 70 175.015 175.015 176.706 -1.691 18953 4220 1 5 . 1 1 70 70 MET CA C 70 56.029 56.029 54.671 1.358 18953 4221 1 5 . 1 1 70 70 MET CB C 70 33.013 33.013 33.697 -0.684 18953 4222 1 5 . 1 1 70 70 MET H H 70 8.315 8.315 7.911 0.404 18953 4223 1 5 . 1 1 71 71 GLY N N 71 108.537 108.537 109.591 -1.054 18953 4224 1 5 . 1 1 71 71 GLY C C 71 176.534 176.534 173.187 3.347 18953 4225 1 5 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.469 1.740 18953 4226 1 5 . 1 1 71 71 GLY H H 71 7.352 7.352 7.806 -0.454 18953 4227 1 5 . 1 1 72 72 MET N N 72 118.363 118.363 117.618 0.745 18953 4228 1 5 . 1 1 72 72 MET HA H 72 4.375 4.375 4.832 -0.457 18953 4229 1 5 . 1 1 72 72 MET C C 72 176.034 176.034 175.106 0.928 18953 4230 1 5 . 1 1 72 72 MET CA C 72 55.884 55.884 54.175 1.708 18953 4231 1 5 . 1 1 72 72 MET CB C 72 35.756 35.756 36.130 -0.374 18953 4232 1 5 . 1 1 72 72 MET H H 72 7.888 7.888 7.560 0.328 18953 4233 1 5 . 1 1 73 73 ASN N N 73 119.052 119.052 122.246 -3.194 18953 4234 1 5 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.774 -0.053 18953 4235 1 5 . 1 1 73 73 ASN C C 73 177.307 177.307 173.714 3.593 18953 4236 1 5 . 1 1 73 73 ASN CA C 73 53.866 53.866 53.149 0.717 18953 4237 1 5 . 1 1 73 73 ASN CB C 73 39.872 39.872 37.861 2.011 18953 4238 1 5 . 1 1 73 73 ASN H H 73 8.956 8.956 8.752 0.204 18953 4239 1 5 . 1 1 74 74 ASP N N 74 118.536 118.536 118.072 0.464 18953 4240 1 5 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.555 0.321 18953 4241 1 5 . 1 1 74 74 ASP C C 74 177.595 177.595 174.459 3.136 18953 4242 1 5 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.624 -1.078 18953 4243 1 5 . 1 1 74 74 ASP CB C 74 44.043 44.043 40.975 3.068 18953 4244 1 5 . 1 1 74 74 ASP H H 74 7.831 7.831 7.635 0.196 18953 4245 1 5 . 1 1 75 75 CYS N N 75 116.378 116.378 117.227 -0.849 18953 4246 1 5 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.353 -0.692 18953 4247 1 5 . 1 1 75 75 CYS C C 75 177.301 177.301 175.730 1.571 18953 4248 1 5 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.494 1.578 18953 4249 1 5 . 1 1 75 75 CYS CB C 75 29.613 29.613 30.553 -0.940 18953 4250 1 5 . 1 1 75 75 CYS H H 75 8.527 8.527 8.442 0.085 18953 4251 1 5 . 1 1 76 76 VAL N N 76 116.516 116.516 115.344 1.172 18953 4252 1 5 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.283 -0.373 18953 4253 1 5 . 1 1 76 76 VAL C C 76 175.906 175.906 175.797 0.109 18953 4254 1 5 . 1 1 76 76 VAL CA C 76 63.823 63.823 62.516 1.307 18953 4255 1 5 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.904 -0.199 18953 4256 1 5 . 1 1 76 76 VAL H H 76 7.296 7.296 8.160 -0.864 18953 4257 1 5 . 1 1 77 77 ARG N N 77 120.435 120.435 120.255 0.180 18953 4258 1 5 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.506 -0.126 18953 4259 1 5 . 1 1 77 77 ARG C C 77 175.519 175.519 175.912 -0.393 18953 4260 1 5 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.264 -0.856 18953 4261 1 5 . 1 1 77 77 ARG CB C 77 34.212 34.212 31.859 2.353 18953 4262 1 5 . 1 1 77 77 ARG H H 77 8.923 8.923 8.559 0.364 18953 4263 1 5 . 1 1 78 78 SER N N 78 110.315 110.315 114.328 -4.013 18953 4264 1 5 . 1 1 78 78 SER HA H 78 4.533 4.533 5.484 -0.951 18953 4265 1 5 . 1 1 78 78 SER C C 78 177.603 177.603 172.665 4.938 18953 4266 1 5 . 1 1 78 78 SER CA C 78 59.512 59.512 56.676 2.836 18953 4267 1 5 . 1 1 78 78 SER CB C 78 65.883 65.883 66.775 -0.892 18953 4268 1 5 . 1 1 78 78 SER H H 78 8.100 8.100 8.098 0.002 18953 4269 1 5 . 1 1 79 79 CYS N N 79 112.901 112.901 115.755 -2.854 18953 4270 1 5 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.370 0.947 18953 4271 1 5 . 1 1 79 79 CYS C C 79 179.601 179.601 172.606 6.995 18953 4272 1 5 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.947 -1.468 18953 4273 1 5 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.111 0.239 18953 4274 1 5 . 1 1 79 79 CYS H H 79 9.438 9.438 9.456 -0.018 18953 4275 1 5 . 1 1 80 80 ARG N N 80 122.877 122.877 120.655 2.222 18953 4276 1 5 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.583 0.444 18953 4277 1 5 . 1 1 80 80 ARG C C 80 176.888 176.888 173.522 3.366 18953 4278 1 5 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.489 0.197 18953 4279 1 5 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.290 0.396 18953 4280 1 5 . 1 1 80 80 ARG H H 80 10.005 10.005 8.806 1.199 18953 4281 1 5 . 1 1 81 81 MET N N 81 125.699 125.699 122.695 3.004 18953 4282 1 5 . 1 1 81 81 MET HA H 81 3.494 3.494 4.355 -0.861 18953 4283 1 5 . 1 1 81 81 MET C C 81 176.369 176.369 175.027 1.342 18953 4284 1 5 . 1 1 81 81 MET CA C 81 55.587 55.587 55.047 0.540 18953 4285 1 5 . 1 1 81 81 MET CB C 81 34.241 34.241 35.061 -0.820 18953 4286 1 5 . 1 1 81 81 MET H H 81 9.198 9.198 8.402 0.796 18953 4287 1 5 . 1 1 82 82 ILE N N 82 131.119 131.119 126.517 4.602 18953 4288 1 5 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.291 -0.257 18953 4289 1 5 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.736 0.114 18953 4290 1 5 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.045 1.148 18953 4291 1 5 . 1 1 82 82 ILE H H 82 7.744 7.744 8.443 -0.699 18953 4292 1 5 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.183 0.018 18953 4293 1 5 . 1 1 83 83 PRO C C 83 176.434 176.434 176.980 -0.546 18953 4294 1 5 . 1 1 83 83 PRO CA C 83 62.426 62.426 62.233 0.194 18953 4295 1 5 . 1 1 83 83 PRO CB C 83 32.394 32.394 31.721 0.673 18953 4296 1 5 . 1 1 84 84 LEU N N 84 120.509 120.509 120.360 0.149 18953 4297 1 5 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.184 0.056 18953 4298 1 5 . 1 1 84 84 LEU C C 84 174.899 174.899 176.010 -1.111 18953 4299 1 5 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.154 0.373 18953 4300 1 5 . 1 1 84 84 LEU CB C 84 41.560 41.560 39.813 1.747 18953 4301 1 5 . 1 1 84 84 LEU H H 84 7.873 7.873 8.389 -0.516 18953 4302 1 5 . 1 1 85 85 HIS N N 85 125.245 125.245 120.658 4.587 18953 4303 1 5 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.699 -0.115 18953 4304 1 5 . 1 1 85 85 HIS CA C 85 56.167 56.167 54.894 1.273 18953 4305 1 5 . 1 1 85 85 HIS CB C 85 32.644 32.644 28.993 3.651 18953 4306 1 5 . 1 1 85 85 HIS H H 85 8.600 8.600 7.776 0.824 18953 4307 1 5 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.695 0.066 18953 4308 1 5 . 1 1 86 86 HIS C C 86 177.250 177.250 174.212 3.038 18953 4309 1 5 . 1 1 86 86 HIS CA C 86 54.709 54.709 53.707 1.002 18953 4310 1 5 . 1 1 86 86 HIS CB C 86 29.670 29.670 29.719 -0.049 18953 4311 1 5 . 1 1 86 86 HIS H H 86 8.500 8.500 8.053 0.447 18953 4312 1 5 . 1 1 87 87 GLY N N 87 107.909 107.909 110.098 -2.189 18953 4313 1 5 . 1 1 87 87 GLY C C 87 178.627 178.627 174.133 4.494 18953 4314 1 5 . 1 1 87 87 GLY CA C 87 44.861 44.861 46.308 -1.447 18953 4315 1 5 . 1 1 87 87 GLY H H 87 6.662 6.662 8.455 -1.793 18953 4316 1 5 . 1 1 88 88 SER N N 88 116.742 116.742 114.533 2.209 18953 4317 1 5 . 1 1 88 88 SER HA H 88 4.528 4.528 4.541 -0.013 18953 4318 1 5 . 1 1 88 88 SER C C 88 178.527 178.527 172.660 5.867 18953 4319 1 5 . 1 1 88 88 SER CA C 88 58.279 58.279 57.393 0.886 18953 4320 1 5 . 1 1 88 88 SER CB C 88 64.360 64.360 65.908 -1.548 18953 4321 1 5 . 1 1 88 88 SER H H 88 8.235 8.235 7.787 0.448 18953 4322 1 5 . 1 1 89 89 PHE N N 89 119.985 119.985 119.348 0.637 18953 4323 1 5 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.122 -0.554 18953 4324 1 5 . 1 1 89 89 PHE C C 89 176.551 176.551 175.560 0.991 18953 4325 1 5 . 1 1 89 89 PHE CA C 89 56.735 56.735 58.082 -1.347 18953 4326 1 5 . 1 1 89 89 PHE CB C 89 41.321 41.321 40.909 0.412 18953 4327 1 5 . 1 1 89 89 PHE H H 89 8.478 8.478 8.694 -0.216 18953 4328 1 5 . 1 1 90 90 LYS N N 90 122.179 122.179 128.420 -6.241 18953 4329 1 5 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.832 0.324 18953 4330 1 5 . 1 1 90 90 LYS C C 90 177.501 177.501 173.931 3.570 18953 4331 1 5 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.611 1.201 18953 4332 1 5 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.129 -0.428 18953 4333 1 5 . 1 1 90 90 LYS H H 90 9.130 9.130 9.112 0.018 18953 4334 1 5 . 1 1 91 91 MET N N 91 127.037 127.037 126.235 0.802 18953 4335 1 5 . 1 1 91 91 MET HA H 91 4.835 4.835 5.015 -0.180 18953 4336 1 5 . 1 1 91 91 MET C C 91 179.276 179.276 173.925 5.351 18953 4337 1 5 . 1 1 91 91 MET CA C 91 54.527 54.527 53.731 0.796 18953 4338 1 5 . 1 1 91 91 MET CB C 91 36.920 36.920 36.485 0.435 18953 4339 1 5 . 1 1 91 91 MET H H 91 9.202 9.202 8.923 0.279 18953 4340 1 5 . 1 1 92 92 ARG N N 92 121.520 121.520 126.161 -4.641 18953 4341 1 5 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.538 0.330 18953 4342 1 5 . 1 1 92 92 ARG C C 92 177.432 177.432 174.787 2.645 18953 4343 1 5 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.291 -0.293 18953 4344 1 5 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.772 2.713 18953 4345 1 5 . 1 1 92 92 ARG H H 92 8.776 8.776 9.020 -0.244 18953 4346 1 5 . 1 1 93 93 LEU N N 93 124.749 124.749 124.436 0.313 18953 4347 1 5 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.506 -0.231 18953 4348 1 5 . 1 1 93 93 LEU C C 93 176.662 176.662 175.072 1.590 18953 4349 1 5 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.663 0.033 18953 4350 1 5 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.854 0.036 18953 4351 1 5 . 1 1 93 93 LEU H H 93 8.841 8.841 8.795 0.046 18953 4352 1 5 . 1 1 94 94 TYR N N 94 116.673 116.673 119.847 -3.174 18953 4353 1 5 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.932 0.492 18953 4354 1 5 . 1 1 94 94 TYR C C 94 175.232 175.232 175.534 -0.302 18953 4355 1 5 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.073 -0.012 18953 4356 1 5 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.642 -1.280 18953 4357 1 5 . 1 1 94 94 TYR H H 94 8.161 8.161 8.835 -0.674 18953 4358 1 5 . 1 1 95 95 GLU N N 95 121.556 121.556 123.527 -1.971 18953 4359 1 5 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.078 -0.044 18953 4360 1 5 . 1 1 95 95 GLU C C 95 174.587 174.587 176.124 -1.537 18953 4361 1 5 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.459 0.500 18953 4362 1 5 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.024 3.500 18953 4363 1 5 . 1 1 95 95 GLU H H 95 8.537 8.537 8.329 0.208 18953 4364 1 5 . 1 1 96 96 HIS N N 96 113.214 113.214 116.292 -3.078 18953 4365 1 5 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.784 0.522 18953 4366 1 5 . 1 1 96 96 HIS C C 96 175.830 175.830 175.269 0.561 18953 4367 1 5 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.837 -0.691 18953 4368 1 5 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.568 0.796 18953 4369 1 5 . 1 1 96 96 HIS H H 96 8.154 8.154 7.709 0.445 18953 4370 1 5 . 1 1 97 97 SER N N 97 115.997 115.997 115.880 0.117 18953 4371 1 5 . 1 1 97 97 SER HA H 97 4.196 4.196 4.625 -0.429 18953 4372 1 5 . 1 1 97 97 SER C C 97 177.588 177.588 174.909 2.679 18953 4373 1 5 . 1 1 97 97 SER CA C 97 59.180 59.180 59.550 -0.370 18953 4374 1 5 . 1 1 97 97 SER CB C 97 63.740 63.740 64.125 -0.385 18953 4375 1 5 . 1 1 97 97 SER H H 97 8.728 8.728 8.722 0.006 18953 4376 1 5 . 1 1 98 98 ASP N N 98 116.560 116.560 120.392 -3.832 18953 4377 1 5 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.242 -0.277 18953 4378 1 5 . 1 1 98 98 ASP C C 98 176.991 176.991 175.949 1.042 18953 4379 1 5 . 1 1 98 98 ASP CA C 98 56.873 56.873 56.916 -0.043 18953 4380 1 5 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.399 0.115 18953 4381 1 5 . 1 1 98 98 ASP H H 98 9.714 9.714 8.797 0.917 18953 4382 1 5 . 1 1 99 99 MET N N 99 112.109 112.109 120.179 -8.070 18953 4383 1 5 . 1 1 99 99 MET HA H 99 2.689 2.689 3.971 -1.282 18953 4384 1 5 . 1 1 99 99 MET C C 99 176.133 176.133 174.379 1.754 18953 4385 1 5 . 1 1 99 99 MET CA C 99 56.596 56.596 54.643 1.953 18953 4386 1 5 . 1 1 99 99 MET CB C 99 27.203 27.203 33.846 -6.643 18953 4387 1 5 . 1 1 99 99 MET H H 99 8.425 8.425 7.982 0.443 18953 4388 1 5 . 1 1 100 100 GLY N N 100 104.572 104.572 107.099 -2.527 18953 4389 1 5 . 1 1 100 100 GLY C C 100 177.855 177.855 174.352 3.503 18953 4390 1 5 . 1 1 100 100 GLY CA C 100 44.345 44.345 43.890 0.455 18953 4391 1 5 . 1 1 100 100 GLY H H 100 6.670 6.670 7.482 -0.812 18953 4392 1 5 . 1 1 101 101 GLY N N 101 105.792 105.792 108.025 -2.233 18953 4393 1 5 . 1 1 101 101 GLY C C 101 177.525 177.525 173.826 3.699 18953 4394 1 5 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.548 0.558 18953 4395 1 5 . 1 1 101 101 GLY H H 101 8.446 8.446 8.244 0.202 18953 4396 1 5 . 1 1 102 102 ARG N N 102 121.688 121.688 123.076 -1.388 18953 4397 1 5 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.440 -0.442 18953 4398 1 5 . 1 1 102 102 ARG C C 102 177.803 177.803 175.985 1.818 18953 4399 1 5 . 1 1 102 102 ARG CA C 102 58.368 58.368 54.934 3.434 18953 4400 1 5 . 1 1 102 102 ARG CB C 102 31.684 31.684 31.337 0.347 18953 4401 1 5 . 1 1 102 102 ARG H H 102 8.785 8.785 8.074 0.711 18953 4402 1 5 . 1 1 103 103 MET N N 103 122.371 122.371 122.598 -0.227 18953 4403 1 5 . 1 1 103 103 MET HA H 103 4.754 4.754 4.744 0.010 18953 4404 1 5 . 1 1 103 103 MET C C 103 175.490 175.490 175.259 0.231 18953 4405 1 5 . 1 1 103 103 MET CA C 103 53.993 53.993 54.476 -0.483 18953 4406 1 5 . 1 1 103 103 MET CB C 103 34.860 34.860 32.671 2.189 18953 4407 1 5 . 1 1 103 103 MET H H 103 7.905 7.905 8.459 -0.554 18953 4408 1 5 . 1 1 104 104 MET N N 104 127.629 127.629 123.797 3.832 18953 4409 1 5 . 1 1 104 104 MET HA H 104 4.318 4.318 4.581 -0.263 18953 4410 1 5 . 1 1 104 104 MET C C 104 177.870 177.870 174.850 3.020 18953 4411 1 5 . 1 1 104 104 MET CA C 104 54.080 54.080 54.479 -0.399 18953 4412 1 5 . 1 1 104 104 MET CB C 104 35.315 35.315 35.200 0.115 18953 4413 1 5 . 1 1 104 104 MET H H 104 8.796 8.796 8.117 0.679 18953 4414 1 5 . 1 1 105 105 GLU N N 105 123.753 123.753 122.723 1.030 18953 4415 1 5 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.820 0.026 18953 4416 1 5 . 1 1 105 105 GLU C C 105 176.871 176.871 175.464 1.407 18953 4417 1 5 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.390 0.298 18953 4418 1 5 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.416 2.099 18953 4419 1 5 . 1 1 105 105 GLU H H 105 8.467 8.467 8.514 -0.047 18953 4420 1 5 . 1 1 106 106 LEU N N 106 125.076 125.076 125.579 -0.503 18953 4421 1 5 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.874 0.014 18953 4422 1 5 . 1 1 106 106 LEU C C 106 175.666 175.666 175.038 0.628 18953 4423 1 5 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.145 0.755 18953 4424 1 5 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.697 2.100 18953 4425 1 5 . 1 1 106 106 LEU H H 106 8.933 8.933 8.989 -0.056 18953 4426 1 5 . 1 1 107 107 MET N N 107 120.889 120.889 123.574 -2.685 18953 4427 1 5 . 1 1 107 107 MET HA H 107 5.152 5.152 4.939 0.213 18953 4428 1 5 . 1 1 107 107 MET C C 107 177.873 177.873 174.150 3.723 18953 4429 1 5 . 1 1 107 107 MET CA C 107 55.430 55.430 55.196 0.235 18953 4430 1 5 . 1 1 107 107 MET CB C 107 35.107 35.107 33.547 1.560 18953 4431 1 5 . 1 1 107 107 MET H H 107 9.099 9.099 9.047 0.052 18953 4432 1 5 . 1 1 108 108 ASP N N 108 120.261 120.261 116.602 3.659 18953 4433 1 5 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.843 -0.394 18953 4434 1 5 . 1 1 108 108 ASP C C 108 178.998 178.998 174.620 4.378 18953 4435 1 5 . 1 1 108 108 ASP CA C 108 51.953 51.953 52.090 -0.137 18953 4436 1 5 . 1 1 108 108 ASP CB C 108 43.335 43.335 43.388 -0.053 18953 4437 1 5 . 1 1 108 108 ASP H H 108 7.874 7.874 7.917 -0.043 18953 4438 1 5 . 1 1 109 109 ASP N N 109 115.191 115.191 119.804 -4.613 18953 4439 1 5 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.731 0.107 18953 4440 1 5 . 1 1 109 109 ASP C C 109 174.768 174.768 175.867 -1.099 18953 4441 1 5 . 1 1 109 109 ASP CA C 109 55.106 55.106 54.692 0.414 18953 4442 1 5 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.296 -0.238 18953 4443 1 5 . 1 1 109 109 ASP H H 109 8.065 8.065 8.491 -0.426 18953 4444 1 5 . 1 1 110 110 CYS N N 110 120.716 120.716 124.219 -3.503 18953 4445 1 5 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.974 0.165 18953 4446 1 5 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.333 0.484 18953 4447 1 5 . 1 1 110 110 CYS CB C 110 29.730 29.730 29.333 0.397 18953 4448 1 5 . 1 1 110 110 CYS H H 110 9.583 9.583 8.489 1.094 18953 4449 1 5 . 1 1 111 111 PRO HA H 111 3.971 3.971 3.940 0.031 18953 4450 1 5 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.025 0.119 18953 4451 1 5 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.261 -0.352 18953 4452 1 5 . 1 1 112 112 ASN N N 112 116.300 116.300 115.449 0.851 18953 4453 1 5 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.902 -0.127 18953 4454 1 5 . 1 1 112 112 ASN C C 112 175.948 175.948 175.096 0.852 18953 4455 1 5 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.398 1.723 18953 4456 1 5 . 1 1 112 112 ASN CB C 112 38.709 38.709 39.656 -0.947 18953 4457 1 5 . 1 1 112 112 ASN H H 112 7.385 7.385 7.660 -0.275 18953 4458 1 5 . 1 1 113 113 LEU N N 113 129.895 129.895 123.781 6.114 18953 4459 1 5 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.223 -0.066 18953 4460 1 5 . 1 1 113 113 LEU C C 113 173.709 173.709 178.223 -4.514 18953 4461 1 5 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.919 0.970 18953 4462 1 5 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.717 -0.266 18953 4463 1 5 . 1 1 113 113 LEU H H 113 8.154 8.154 8.495 -0.341 18953 4464 1 5 . 1 1 114 114 MET N N 114 120.939 120.939 118.944 1.995 18953 4465 1 5 . 1 1 114 114 MET HA H 114 4.204 4.204 4.071 0.133 18953 4466 1 5 . 1 1 114 114 MET C C 114 171.942 171.942 177.110 -5.168 18953 4467 1 5 . 1 1 114 114 MET CA C 114 58.354 58.354 58.936 -0.582 18953 4468 1 5 . 1 1 114 114 MET CB C 114 31.118 31.118 32.197 -1.079 18953 4469 1 5 . 1 1 114 114 MET H H 114 8.421 8.421 8.256 0.165 18953 4470 1 5 . 1 1 115 115 ASP N N 115 119.204 119.204 116.435 2.769 18953 4471 1 5 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.457 -0.184 18953 4472 1 5 . 1 1 115 115 ASP C C 115 174.228 174.228 177.458 -3.230 18953 4473 1 5 . 1 1 115 115 ASP CA C 115 56.737 56.737 56.233 0.504 18953 4474 1 5 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.215 0.406 18953 4475 1 5 . 1 1 115 115 ASP H H 115 7.695 7.695 8.217 -0.522 18953 4476 1 5 . 1 1 116 116 ARG N N 116 116.937 116.937 118.666 -1.729 18953 4477 1 5 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.079 -0.021 18953 4478 1 5 . 1 1 116 116 ARG C C 116 174.084 174.084 177.576 -3.492 18953 4479 1 5 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.481 -0.642 18953 4480 1 5 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.894 1.205 18953 4481 1 5 . 1 1 116 116 ARG H H 116 7.118 7.118 7.330 -0.212 18953 4482 1 5 . 1 1 117 117 PHE N N 117 113.914 113.914 114.659 -0.745 18953 4483 1 5 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.718 0.407 18953 4484 1 5 . 1 1 117 117 PHE C C 117 175.681 175.681 174.326 1.355 18953 4485 1 5 . 1 1 117 117 PHE CA C 117 57.040 57.040 58.055 -1.015 18953 4486 1 5 . 1 1 117 117 PHE CB C 117 41.881 41.881 39.663 2.218 18953 4487 1 5 . 1 1 117 117 PHE H H 117 8.641 8.641 8.029 0.612 18953 4488 1 5 . 1 1 118 118 ASN N N 118 117.137 117.137 114.709 2.428 18953 4489 1 5 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.622 0.224 18953 4490 1 5 . 1 1 118 118 ASN C C 118 177.553 177.553 174.318 3.235 18953 4491 1 5 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.021 1.017 18953 4492 1 5 . 1 1 118 118 ASN CB C 118 38.049 38.049 36.681 1.368 18953 4493 1 5 . 1 1 118 118 ASN H H 118 8.478 8.478 7.951 0.527 18953 4494 1 5 . 1 1 119 119 MET N N 119 114.316 114.316 113.016 1.300 18953 4495 1 5 . 1 1 119 119 MET HA H 119 4.386 4.386 4.698 -0.312 18953 4496 1 5 . 1 1 119 119 MET C C 119 178.321 178.321 173.900 4.421 18953 4497 1 5 . 1 1 119 119 MET CA C 119 55.950 55.950 54.813 1.137 18953 4498 1 5 . 1 1 119 119 MET CB C 119 37.233 37.233 35.429 1.804 18953 4499 1 5 . 1 1 119 119 MET H H 119 7.286 7.286 7.254 0.032 18953 4500 1 5 . 1 1 120 120 SER N N 120 111.310 111.310 116.114 -4.804 18953 4501 1 5 . 1 1 120 120 SER HA H 120 4.682 4.682 4.860 -0.178 18953 4502 1 5 . 1 1 120 120 SER C C 120 179.047 179.047 173.235 5.812 18953 4503 1 5 . 1 1 120 120 SER CA C 120 57.435 57.435 58.211 -0.776 18953 4504 1 5 . 1 1 120 120 SER CB C 120 65.594 65.594 64.189 1.405 18953 4505 1 5 . 1 1 120 120 SER H H 120 8.361 8.361 8.417 -0.056 18953 4506 1 5 . 1 1 121 121 ASP N N 121 120.422 120.422 122.332 -1.910 18953 4507 1 5 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.520 -0.438 18953 4508 1 5 . 1 1 121 121 ASP C C 121 177.532 177.532 174.567 2.965 18953 4509 1 5 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.272 0.358 18953 4510 1 5 . 1 1 121 121 ASP CB C 121 43.513 43.513 42.712 0.801 18953 4511 1 5 . 1 1 121 121 ASP H H 121 6.829 6.829 7.388 -0.559 18953 4512 1 5 . 1 1 122 122 PHE N N 122 120.611 120.611 120.136 0.475 18953 4513 1 5 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.740 -0.045 18953 4514 1 5 . 1 1 122 122 PHE C C 122 177.316 177.316 176.448 0.868 18953 4515 1 5 . 1 1 122 122 PHE CA C 122 57.660 57.660 55.844 1.816 18953 4516 1 5 . 1 1 122 122 PHE CB C 122 40.871 40.871 40.446 0.425 18953 4517 1 5 . 1 1 122 122 PHE H H 122 8.376 8.376 8.575 -0.199 18953 4518 1 5 . 1 1 123 123 HIS N N 123 116.193 116.193 121.433 -5.240 18953 4519 1 5 . 1 1 123 123 HIS HA H 123 4.765 4.765 5.080 -0.315 18953 4520 1 5 . 1 1 123 123 HIS C C 123 176.431 176.431 174.787 1.644 18953 4521 1 5 . 1 1 123 123 HIS CA C 123 57.604 57.604 55.864 1.740 18953 4522 1 5 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.089 2.191 18953 4523 1 5 . 1 1 123 123 HIS H H 123 7.577 7.577 8.655 -1.078 18953 4524 1 5 . 1 1 124 124 SER N N 124 107.332 107.332 113.423 -6.091 18953 4525 1 5 . 1 1 124 124 SER HA H 124 4.698 4.698 5.247 -0.549 18953 4526 1 5 . 1 1 124 124 SER C C 124 178.179 178.179 172.584 5.595 18953 4527 1 5 . 1 1 124 124 SER CA C 124 59.556 59.556 57.356 2.200 18953 4528 1 5 . 1 1 124 124 SER CB C 124 65.667 65.667 64.804 0.863 18953 4529 1 5 . 1 1 124 124 SER H H 124 8.256 8.256 8.274 -0.018 18953 4530 1 5 . 1 1 125 125 CYS N N 125 113.874 113.874 121.629 -7.755 18953 4531 1 5 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.423 0.128 18953 4532 1 5 . 1 1 125 125 CYS C C 125 179.655 179.655 172.792 6.863 18953 4533 1 5 . 1 1 125 125 CYS CA C 125 57.871 57.871 58.052 -0.181 18953 4534 1 5 . 1 1 125 125 CYS CB C 125 30.586 30.586 32.560 -1.974 18953 4535 1 5 . 1 1 125 125 CYS H H 125 9.561 9.561 8.872 0.689 18953 4536 1 5 . 1 1 126 126 HIS N N 126 124.829 124.829 119.948 4.881 18953 4537 1 5 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.255 0.226 18953 4538 1 5 . 1 1 126 126 HIS C C 126 176.575 176.575 173.350 3.225 18953 4539 1 5 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.130 -1.823 18953 4540 1 5 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.795 1.328 18953 4541 1 5 . 1 1 126 126 HIS H H 126 9.858 9.858 9.177 0.681 18953 4542 1 5 . 1 1 127 127 VAL N N 127 128.620 128.620 126.253 2.367 18953 4543 1 5 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.512 -0.638 18953 4544 1 5 . 1 1 127 127 VAL C C 127 176.660 176.660 175.259 1.401 18953 4545 1 5 . 1 1 127 127 VAL CA C 127 63.485 63.485 60.908 2.577 18953 4546 1 5 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.385 -2.386 18953 4547 1 5 . 1 1 127 127 VAL H H 127 9.408 9.408 8.218 1.190 18953 4548 1 5 . 1 1 128 128 MET N N 128 129.466 129.466 123.858 5.608 18953 4549 1 5 . 1 1 128 128 MET HA H 128 3.930 3.930 4.746 -0.816 18953 4550 1 5 . 1 1 128 128 MET C C 128 176.093 176.093 176.399 -0.306 18953 4551 1 5 . 1 1 128 128 MET CA C 128 58.109 58.109 56.025 2.084 18953 4552 1 5 . 1 1 128 128 MET CB C 128 34.019 34.019 32.792 1.227 18953 4553 1 5 . 1 1 128 128 MET H H 128 7.906 7.906 8.746 -0.840 18953 4554 1 5 . 1 1 129 129 ASP N N 129 116.435 116.435 114.821 1.614 18953 4555 1 5 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.622 0.210 18953 4556 1 5 . 1 1 129 129 ASP C C 129 174.959 174.959 174.516 0.443 18953 4557 1 5 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.396 -0.216 18953 4558 1 5 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.786 2.345 18953 4559 1 5 . 1 1 129 129 ASP H H 129 8.349 8.349 7.596 0.753 18953 4560 1 5 . 1 1 130 130 GLY N N 130 113.062 113.062 105.254 7.808 18953 4561 1 5 . 1 1 130 130 GLY C C 130 183.642 183.642 172.396 11.246 18953 4562 1 5 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.362 0.110 18953 4563 1 5 . 1 1 130 130 GLY H H 130 8.479 8.479 7.979 0.500 18953 4564 1 5 . 1 1 131 131 HIS N N 131 114.389 114.389 118.267 -3.878 18953 4565 1 5 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.706 0.296 18953 4566 1 5 . 1 1 131 131 HIS C C 131 176.470 176.470 173.832 2.638 18953 4567 1 5 . 1 1 131 131 HIS CA C 131 56.318 56.318 54.764 1.554 18953 4568 1 5 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.113 1.922 18953 4569 1 5 . 1 1 131 131 HIS H H 131 6.228 6.228 8.166 -1.938 18953 4570 1 5 . 1 1 132 132 TRP N N 132 122.333 122.333 124.385 -2.052 18953 4571 1 5 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.012 0.123 18953 4572 1 5 . 1 1 132 132 TRP C C 132 177.557 177.557 174.467 3.090 18953 4573 1 5 . 1 1 132 132 TRP CA C 132 56.896 56.896 55.908 0.988 18953 4574 1 5 . 1 1 132 132 TRP CB C 132 33.795 33.795 31.289 2.506 18953 4575 1 5 . 1 1 132 132 TRP H H 132 8.838 8.838 8.670 0.168 18953 4576 1 5 . 1 1 133 133 LEU N N 133 121.883 121.883 125.174 -3.291 18953 4577 1 5 . 1 1 133 133 LEU HA H 133 5.122 5.122 4.649 0.473 18953 4578 1 5 . 1 1 133 133 LEU C C 133 176.457 176.457 174.782 1.675 18953 4579 1 5 . 1 1 133 133 LEU CA C 133 53.536 53.536 53.640 -0.104 18953 4580 1 5 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.774 2.796 18953 4581 1 5 . 1 1 133 133 LEU H H 133 9.403 9.403 9.017 0.386 18953 4582 1 5 . 1 1 134 134 VAL N N 134 123.013 123.013 126.521 -3.508 18953 4583 1 5 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.466 0.093 18953 4584 1 5 . 1 1 134 134 VAL C C 134 177.780 177.780 174.681 3.099 18953 4585 1 5 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.047 -0.098 18953 4586 1 5 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.455 -0.366 18953 4587 1 5 . 1 1 134 134 VAL H H 134 8.948 8.948 8.761 0.187 18953 4588 1 5 . 1 1 135 135 TYR N N 135 122.405 122.405 124.962 -2.557 18953 4589 1 5 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.780 0.760 18953 4590 1 5 . 1 1 135 135 TYR C C 135 172.456 172.456 175.936 -3.480 18953 4591 1 5 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.749 -0.752 18953 4592 1 5 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.323 -0.578 18953 4593 1 5 . 1 1 135 135 TYR H H 135 9.068 9.068 9.497 -0.429 18953 4594 1 5 . 1 1 136 136 GLU N N 136 121.335 121.335 124.063 -2.728 18953 4595 1 5 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.292 -0.189 18953 4596 1 5 . 1 1 136 136 GLU C C 136 176.022 176.022 176.551 -0.529 18953 4597 1 5 . 1 1 136 136 GLU CA C 136 59.896 59.896 59.343 0.553 18953 4598 1 5 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.706 2.221 18953 4599 1 5 . 1 1 136 136 GLU H H 136 9.360 9.360 8.521 0.839 18953 4600 1 5 . 1 1 137 137 GLN N N 137 111.530 111.530 115.862 -4.332 18953 4601 1 5 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.818 0.149 18953 4602 1 5 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.531 0.302 18953 4603 1 5 . 1 1 137 137 GLN CB C 137 29.142 29.142 31.759 -2.617 18953 4604 1 5 . 1 1 137 137 GLN H H 137 7.808 7.808 8.171 -0.363 18953 4605 1 5 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.321 -0.179 18953 4606 1 5 . 1 1 138 138 PRO C C 138 176.607 176.607 177.060 -0.453 18953 4607 1 5 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.279 -0.818 18953 4608 1 5 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.572 0.622 18953 4609 1 5 . 1 1 139 139 ASN N N 139 113.240 113.240 115.118 -1.878 18953 4610 1 5 . 1 1 139 139 ASN HA H 139 3.356 3.356 4.070 -0.714 18953 4611 1 5 . 1 1 139 139 ASN C C 139 177.996 177.996 173.864 4.132 18953 4612 1 5 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.065 0.182 18953 4613 1 5 . 1 1 139 139 ASN CB C 139 36.635 36.635 37.782 -1.147 18953 4614 1 5 . 1 1 139 139 ASN H H 139 9.683 9.683 8.094 1.589 18953 4615 1 5 . 1 1 140 140 TYR N N 140 113.289 113.289 109.623 3.666 18953 4616 1 5 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.115 -0.355 18953 4617 1 5 . 1 1 140 140 TYR C C 140 176.488 176.488 174.697 1.791 18953 4618 1 5 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.213 -2.917 18953 4619 1 5 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.666 -0.706 18953 4620 1 5 . 1 1 140 140 TYR H H 140 8.000 8.000 7.568 0.432 18953 4621 1 5 . 1 1 141 141 THR N N 141 108.766 108.766 109.041 -0.275 18953 4622 1 5 . 1 1 141 141 THR HA H 141 4.697 4.697 4.772 -0.075 18953 4623 1 5 . 1 1 141 141 THR C C 141 178.578 178.578 173.819 4.759 18953 4624 1 5 . 1 1 141 141 THR CA C 141 60.128 60.128 60.081 0.047 18953 4625 1 5 . 1 1 141 141 THR CB C 141 72.848 72.848 72.223 0.625 18953 4626 1 5 . 1 1 141 141 THR H H 141 6.280 6.280 7.532 -1.252 18953 4627 1 5 . 1 1 142 142 GLY N N 142 106.121 106.121 108.181 -2.060 18953 4628 1 5 . 1 1 142 142 GLY C C 142 177.117 177.117 173.430 3.687 18953 4629 1 5 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.751 -0.584 18953 4630 1 5 . 1 1 142 142 GLY H H 142 8.285 8.285 8.354 -0.069 18953 4631 1 5 . 1 1 143 143 ARG N N 143 120.212 120.212 120.787 -0.575 18953 4632 1 5 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.816 0.120 18953 4633 1 5 . 1 1 143 143 ARG C C 143 177.580 177.580 175.959 1.621 18953 4634 1 5 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.796 1.324 18953 4635 1 5 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.869 1.287 18953 4636 1 5 . 1 1 143 143 ARG H H 143 8.583 8.583 8.459 0.124 18953 4637 1 5 . 1 1 144 144 GLN N N 144 119.516 119.516 121.861 -2.345 18953 4638 1 5 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.703 0.188 18953 4639 1 5 . 1 1 144 144 GLN C C 144 176.985 176.985 175.175 1.810 18953 4640 1 5 . 1 1 144 144 GLN CA C 144 53.322 53.322 55.038 -1.716 18953 4641 1 5 . 1 1 144 144 GLN CB C 144 32.645 32.645 29.765 2.880 18953 4642 1 5 . 1 1 144 144 GLN H H 144 7.552 7.552 7.950 -0.398 18953 4643 1 5 . 1 1 145 145 PHE N N 145 114.745 114.745 122.524 -7.779 18953 4644 1 5 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.825 -0.168 18953 4645 1 5 . 1 1 145 145 PHE C C 145 176.969 176.969 174.692 2.277 18953 4646 1 5 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.649 -0.743 18953 4647 1 5 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.046 0.221 18953 4648 1 5 . 1 1 145 145 PHE H H 145 8.696 8.696 8.802 -0.106 18953 4649 1 5 . 1 1 146 146 TYR N N 146 124.271 124.271 126.804 -2.533 18953 4650 1 5 . 1 1 146 146 TYR HA H 146 5.274 5.274 4.834 0.440 18953 4651 1 5 . 1 1 146 146 TYR C C 146 176.212 176.212 174.523 1.689 18953 4652 1 5 . 1 1 146 146 TYR CA C 146 55.740 55.740 58.163 -2.423 18953 4653 1 5 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.636 -0.402 18953 4654 1 5 . 1 1 146 146 TYR H H 146 8.915 8.915 9.019 -0.104 18953 4655 1 5 . 1 1 147 147 LEU N N 147 103.207 103.207 129.454 -26.247 18953 4656 1 5 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.600 -0.209 18953 4657 1 5 . 1 1 147 147 LEU C C 147 178.198 178.198 175.469 2.729 18953 4658 1 5 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.014 0.955 18953 4659 1 5 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.943 1.202 18953 4660 1 5 . 1 1 147 147 LEU H H 147 9.229 9.229 8.622 0.607 18953 4661 1 5 . 1 1 148 148 ARG N N 148 120.815 120.815 123.099 -2.284 18953 4662 1 5 . 1 1 148 148 ARG HA H 148 4.579 4.579 5.112 -0.533 18953 4663 1 5 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.520 0.474 18953 4664 1 5 . 1 1 148 148 ARG CB C 148 29.256 29.256 30.078 -0.822 18953 4665 1 5 . 1 1 148 148 ARG H H 148 6.955 6.955 9.111 -2.156 18953 4666 1 5 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.075 0.111 18953 4667 1 5 . 1 1 149 149 PRO C C 149 175.154 175.154 176.768 -1.614 18953 4668 1 5 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.366 1.489 18953 4669 1 5 . 1 1 149 149 PRO CB C 149 31.637 31.637 32.051 -0.414 18953 4670 1 5 . 1 1 150 150 GLY N N 150 111.695 111.695 107.058 4.637 18953 4671 1 5 . 1 1 150 150 GLY C C 150 179.740 179.740 171.676 8.064 18953 4672 1 5 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.223 0.390 18953 4673 1 5 . 1 1 150 150 GLY H H 150 8.965 8.965 7.635 1.330 18953 4674 1 5 . 1 1 151 151 GLU N N 151 118.822 118.822 120.133 -1.311 18953 4675 1 5 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.622 -0.299 18953 4676 1 5 . 1 1 151 151 GLU C C 151 176.078 176.078 174.882 1.196 18953 4677 1 5 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.367 1.186 18953 4678 1 5 . 1 1 151 151 GLU CB C 151 31.878 31.878 31.797 0.081 18953 4679 1 5 . 1 1 151 151 GLU H H 151 8.403 8.403 8.108 0.295 18953 4680 1 5 . 1 1 152 152 TYR N N 152 123.055 123.055 122.748 0.307 18953 4681 1 5 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.862 -0.122 18953 4682 1 5 . 1 1 152 152 TYR C C 152 176.413 176.413 176.349 0.064 18953 4683 1 5 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.584 -0.614 18953 4684 1 5 . 1 1 152 152 TYR CB C 152 38.774 38.774 40.804 -2.030 18953 4685 1 5 . 1 1 152 152 TYR H H 152 8.859 8.859 9.341 -0.482 18953 4686 1 5 . 1 1 153 153 ARG N N 153 124.271 124.271 120.171 4.100 18953 4687 1 5 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.705 -0.689 18953 4688 1 5 . 1 1 153 153 ARG C C 153 176.727 176.727 175.709 1.018 18953 4689 1 5 . 1 1 153 153 ARG CA C 153 60.204 60.204 56.025 4.179 18953 4690 1 5 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.899 -2.559 18953 4691 1 5 . 1 1 153 153 ARG H H 153 8.882 8.882 9.843 -0.961 18953 4692 1 5 . 1 1 154 154 SER N N 154 111.500 111.500 112.120 -0.620 18953 4693 1 5 . 1 1 154 154 SER HA H 154 5.194 5.194 4.580 0.614 18953 4694 1 5 . 1 1 154 154 SER C C 154 176.379 176.379 173.445 2.934 18953 4695 1 5 . 1 1 154 154 SER CA C 154 56.894 56.894 56.622 0.272 18953 4696 1 5 . 1 1 154 154 SER CB C 154 66.352 66.352 64.801 1.551 18953 4697 1 5 . 1 1 154 154 SER H H 154 8.070 8.070 7.983 0.087 18953 4698 1 5 . 1 1 155 155 TYR N N 155 119.386 119.386 120.605 -1.219 18953 4699 1 5 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.300 -2.137 18953 4700 1 5 . 1 1 155 155 TYR C C 155 174.639 174.639 176.415 -1.776 18953 4701 1 5 . 1 1 155 155 TYR CA C 155 57.369 57.369 60.052 -2.683 18953 4702 1 5 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.371 1.028 18953 4703 1 5 . 1 1 155 155 TYR H H 155 7.638 7.638 7.376 0.262 18953 4704 1 5 . 1 1 156 156 ASN N N 156 119.038 119.038 113.792 5.246 18953 4705 1 5 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.488 -0.368 18953 4706 1 5 . 1 1 156 156 ASN C C 156 172.889 172.889 174.991 -2.102 18953 4707 1 5 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.123 2.473 18953 4708 1 5 . 1 1 156 156 ASN CB C 156 38.621 38.621 37.530 1.091 18953 4709 1 5 . 1 1 156 156 ASN H H 156 6.819 6.819 7.776 -0.957 18953 4710 1 5 . 1 1 157 157 ASP N N 157 118.338 118.338 121.103 -2.765 18953 4711 1 5 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.519 0.062 18953 4712 1 5 . 1 1 157 157 ASP C C 157 173.908 173.908 176.800 -2.892 18953 4713 1 5 . 1 1 157 157 ASP CA C 157 57.382 57.382 56.935 0.446 18953 4714 1 5 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.431 0.196 18953 4715 1 5 . 1 1 157 157 ASP H H 157 7.791 7.791 7.579 0.212 18953 4716 1 5 . 1 1 158 158 TRP N N 158 114.610 114.610 118.375 -3.765 18953 4717 1 5 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.930 0.404 18953 4718 1 5 . 1 1 158 158 TRP C C 158 175.711 175.711 176.675 -0.964 18953 4719 1 5 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.661 0.408 18953 4720 1 5 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.884 -0.765 18953 4721 1 5 . 1 1 158 158 TRP H H 158 7.000 7.000 6.873 0.127 18953 4722 1 5 . 1 1 159 159 GLY N N 159 108.647 108.647 108.248 0.399 18953 4723 1 5 . 1 1 159 159 GLY C C 159 175.991 175.991 174.306 1.685 18953 4724 1 5 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.427 0.305 18953 4725 1 5 . 1 1 159 159 GLY H H 159 7.588 7.588 7.860 -0.272 18953 4726 1 5 . 1 1 160 160 GLY N N 160 107.348 107.348 105.379 1.969 18953 4727 1 5 . 1 1 160 160 GLY C C 160 178.604 178.604 172.806 5.798 18953 4728 1 5 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.005 2.350 18953 4729 1 5 . 1 1 160 160 GLY H H 160 7.326 7.326 7.258 0.068 18953 4730 1 5 . 1 1 161 161 VAL N N 161 118.047 118.047 115.244 2.803 18953 4731 1 5 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.383 -0.131 18953 4732 1 5 . 1 1 161 161 VAL C C 161 175.118 175.118 174.411 0.707 18953 4733 1 5 . 1 1 161 161 VAL CA C 161 63.303 63.303 62.422 0.881 18953 4734 1 5 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.700 -0.865 18953 4735 1 5 . 1 1 161 161 VAL H H 161 8.697 8.697 8.427 0.270 18953 4736 1 5 . 1 1 162 162 THR N N 162 111.630 111.630 110.530 1.100 18953 4737 1 5 . 1 1 162 162 THR HA H 162 3.659 3.659 4.265 -0.606 18953 4738 1 5 . 1 1 162 162 THR C C 162 179.191 179.191 174.216 4.975 18953 4739 1 5 . 1 1 162 162 THR CA C 162 59.431 59.431 60.269 -0.838 18953 4740 1 5 . 1 1 162 162 THR CB C 162 71.935 71.935 71.329 0.605 18953 4741 1 5 . 1 1 162 162 THR H H 162 7.864 7.864 7.416 0.448 18953 4742 1 5 . 1 1 163 163 SER N N 163 112.275 112.275 112.741 -0.466 18953 4743 1 5 . 1 1 163 163 SER HA H 163 4.018 4.018 4.708 -0.690 18953 4744 1 5 . 1 1 163 163 SER C C 163 178.307 178.307 174.403 3.904 18953 4745 1 5 . 1 1 163 163 SER CA C 163 57.968 57.968 57.830 0.139 18953 4746 1 5 . 1 1 163 163 SER CB C 163 63.093 63.093 64.357 -1.264 18953 4747 1 5 . 1 1 163 163 SER H H 163 7.502 7.502 8.611 -1.109 18953 4748 1 5 . 1 1 164 164 ARG N N 164 122.770 122.770 123.480 -0.710 18953 4749 1 5 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.613 -0.188 18953 4750 1 5 . 1 1 164 164 ARG C C 164 175.003 175.003 175.134 -0.131 18953 4751 1 5 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.928 0.209 18953 4752 1 5 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.893 1.560 18953 4753 1 5 . 1 1 164 164 ARG H H 164 7.578 7.578 8.279 -0.701 18953 4754 1 5 . 1 1 165 165 MET N N 165 122.454 122.454 123.922 -1.468 18953 4755 1 5 . 1 1 165 165 MET HA H 165 4.620 4.620 4.910 -0.290 18953 4756 1 5 . 1 1 165 165 MET C C 165 177.244 177.244 175.643 1.601 18953 4757 1 5 . 1 1 165 165 MET CA C 165 56.192 56.192 55.416 0.777 18953 4758 1 5 . 1 1 165 165 MET CB C 165 37.269 37.269 33.905 3.364 18953 4759 1 5 . 1 1 165 165 MET H H 165 8.480 8.480 8.618 -0.138 18953 4760 1 5 . 1 1 166 166 GLY N N 166 107.987 107.987 110.408 -2.421 18953 4761 1 5 . 1 1 166 166 GLY C C 166 177.648 177.648 173.418 4.230 18953 4762 1 5 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.686 1.006 18953 4763 1 5 . 1 1 166 166 GLY H H 166 9.046 9.046 8.481 0.565 18953 4764 1 5 . 1 1 167 167 SER N N 167 113.024 113.024 115.873 -2.849 18953 4765 1 5 . 1 1 167 167 SER HA H 167 4.562 4.562 5.710 -1.148 18953 4766 1 5 . 1 1 167 167 SER C C 167 179.104 179.104 172.761 6.343 18953 4767 1 5 . 1 1 167 167 SER CA C 167 58.729 58.729 56.284 2.445 18953 4768 1 5 . 1 1 167 167 SER CB C 167 64.816 64.816 65.530 -0.714 18953 4769 1 5 . 1 1 167 167 SER H H 167 8.257 8.257 7.968 0.289 18953 4770 1 5 . 1 1 168 168 ILE N N 168 118.927 118.927 122.731 -3.804 18953 4771 1 5 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.130 0.378 18953 4772 1 5 . 1 1 168 168 ILE C C 168 177.783 177.783 173.947 3.836 18953 4773 1 5 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.864 0.297 18953 4774 1 5 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.259 0.951 18953 4775 1 5 . 1 1 168 168 ILE H H 168 8.922 8.922 9.069 -0.147 18953 4776 1 5 . 1 1 169 169 ARG N N 169 124.820 124.820 124.369 0.451 18953 4777 1 5 . 1 1 169 169 ARG HA H 169 5.045 5.045 5.019 0.026 18953 4778 1 5 . 1 1 169 169 ARG C C 169 177.350 177.350 174.239 3.111 18953 4779 1 5 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.523 -0.338 18953 4780 1 5 . 1 1 169 169 ARG CB C 169 34.991 34.991 35.132 -0.141 18953 4781 1 5 . 1 1 169 169 ARG H H 169 9.757 9.757 9.537 0.220 18953 4782 1 5 . 1 1 170 170 ARG N N 170 122.951 122.951 126.190 -3.239 18953 4783 1 5 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.974 -0.709 18953 4784 1 5 . 1 1 170 170 ARG C C 170 174.373 174.373 175.445 -1.072 18953 4785 1 5 . 1 1 170 170 ARG CA C 170 55.170 55.170 53.956 1.214 18953 4786 1 5 . 1 1 170 170 ARG CB C 170 30.150 30.150 28.782 1.368 18953 4787 1 5 . 1 1 170 170 ARG H H 170 8.552 8.552 8.188 0.364 18953 4788 1 5 . 1 1 171 171 ILE N N 171 123.280 123.280 125.951 -2.671 18953 4789 1 5 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.851 -0.049 18953 4790 1 5 . 1 1 171 171 ILE C C 171 177.088 177.088 175.602 1.486 18953 4791 1 5 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.249 0.312 18953 4792 1 5 . 1 1 171 171 ILE CB C 171 36.326 36.326 36.647 -0.321 18953 4793 1 5 . 1 1 171 171 ILE H H 171 8.424 8.424 8.207 0.217 18953 4794 1 5 . 1 1 172 172 THR N N 172 117.270 117.270 124.662 -7.392 18953 4795 1 5 . 1 1 172 172 THR HA H 172 4.558 4.558 4.214 0.344 18953 4796 1 5 . 1 1 172 172 THR C C 172 177.651 177.651 174.024 3.627 18953 4797 1 5 . 1 1 172 172 THR CA C 172 60.095 60.095 61.982 -1.887 18953 4798 1 5 . 1 1 172 172 THR CB C 172 70.040 70.040 67.579 2.461 18953 4799 1 5 . 1 1 172 172 THR H H 172 7.299 7.299 8.186 -0.887 18953 4800 1 5 . 1 1 173 173 ASP N N 173 121.598 121.598 123.939 -2.341 18953 4801 1 5 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.854 -0.409 18953 4802 1 5 . 1 1 173 173 ASP C C 173 177.041 177.041 175.687 1.354 18953 4803 1 5 . 1 1 173 173 ASP CA C 173 55.010 55.010 54.040 0.970 18953 4804 1 5 . 1 1 173 173 ASP CB C 173 41.524 41.524 41.678 -0.154 18953 4805 1 5 . 1 1 173 173 ASP H H 173 8.477 8.477 7.988 0.489 18953 4806 1 6 . 1 1 2 2 GLY C C 2 182.782 182.782 173.243 9.539 18953 4807 1 6 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.061 -1.514 18953 4808 1 6 . 1 1 3 3 LYS N N 3 120.153 120.153 119.773 0.380 18953 4809 1 6 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.509 0.506 18953 4810 1 6 . 1 1 3 3 LYS C C 3 179.140 179.140 173.990 5.150 18953 4811 1 6 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.724 1.586 18953 4812 1 6 . 1 1 3 3 LYS CB C 3 35.698 35.698 36.936 -1.238 18953 4813 1 6 . 1 1 3 3 LYS H H 3 8.398 8.398 7.873 0.525 18953 4814 1 6 . 1 1 4 4 ILE N N 4 129.769 129.769 122.358 7.411 18953 4815 1 6 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.894 -0.288 18953 4816 1 6 . 1 1 4 4 ILE C C 4 180.618 180.618 173.207 7.411 18953 4817 1 6 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.826 -0.426 18953 4818 1 6 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.734 -0.715 18953 4819 1 6 . 1 1 4 4 ILE H H 4 8.871 8.871 8.395 0.476 18953 4820 1 6 . 1 1 5 5 ILE N N 5 125.103 125.103 127.393 -2.290 18953 4821 1 6 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.951 -0.443 18953 4822 1 6 . 1 1 5 5 ILE C C 5 177.516 177.516 175.102 2.414 18953 4823 1 6 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.571 1.258 18953 4824 1 6 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.459 -0.042 18953 4825 1 6 . 1 1 5 5 ILE H H 5 8.788 8.788 8.768 0.020 18953 4826 1 6 . 1 1 6 6 PHE N N 6 125.558 125.558 125.667 -0.109 18953 4827 1 6 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.752 -0.129 18953 4828 1 6 . 1 1 6 6 PHE C C 6 176.512 176.512 175.134 1.378 18953 4829 1 6 . 1 1 6 6 PHE CA C 6 57.219 57.219 57.506 -0.287 18953 4830 1 6 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.216 0.267 18953 4831 1 6 . 1 1 6 6 PHE H H 6 8.540 8.540 9.195 -0.655 18953 4832 1 6 . 1 1 7 7 TYR N N 7 120.647 120.647 118.497 2.150 18953 4833 1 6 . 1 1 7 7 TYR HA H 7 5.171 5.171 5.019 0.152 18953 4834 1 6 . 1 1 7 7 TYR C C 7 173.898 173.898 175.106 -1.208 18953 4835 1 6 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.785 -0.339 18953 4836 1 6 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.784 -3.474 18953 4837 1 6 . 1 1 7 7 TYR H H 7 8.889 8.889 9.230 -0.341 18953 4838 1 6 . 1 1 8 8 GLU N N 8 122.007 122.007 123.017 -1.010 18953 4839 1 6 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.191 -0.010 18953 4840 1 6 . 1 1 8 8 GLU C C 8 174.881 174.881 176.878 -1.997 18953 4841 1 6 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.061 2.005 18953 4842 1 6 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.733 1.319 18953 4843 1 6 . 1 1 8 8 GLU H H 8 8.756 8.756 8.676 0.080 18953 4844 1 6 . 1 1 9 9 ASP N N 9 114.203 114.203 118.501 -4.298 18953 4845 1 6 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.671 0.551 18953 4846 1 6 . 1 1 9 9 ASP CA C 9 52.366 52.366 53.533 -1.167 18953 4847 1 6 . 1 1 9 9 ASP CB C 9 43.436 43.436 41.798 1.638 18953 4848 1 6 . 1 1 9 9 ASP H H 9 7.977 7.977 7.930 0.047 18953 4849 1 6 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.428 -1.309 18953 4850 1 6 . 1 1 11 11 ASN CA C 11 56.660 56.660 52.587 4.074 18953 4851 1 6 . 1 1 11 11 ASN CB C 11 35.050 35.050 36.942 -1.892 18953 4852 1 6 . 1 1 13 13 GLY C C 13 178.281 178.281 174.285 3.996 18953 4853 1 6 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.632 -0.186 18953 4854 1 6 . 1 1 14 14 GLY N N 14 105.348 105.348 108.684 -3.336 18953 4855 1 6 . 1 1 14 14 GLY C C 14 176.463 176.463 174.693 1.770 18953 4856 1 6 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.474 -0.363 18953 4857 1 6 . 1 1 14 14 GLY H H 14 8.261 8.261 8.276 -0.015 18953 4858 1 6 . 1 1 15 15 ARG N N 15 119.637 119.637 124.448 -4.811 18953 4859 1 6 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.418 -0.207 18953 4860 1 6 . 1 1 15 15 ARG C C 15 176.574 176.574 176.053 0.521 18953 4861 1 6 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.474 0.858 18953 4862 1 6 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.745 0.667 18953 4863 1 6 . 1 1 15 15 ARG H H 15 8.579 8.579 8.330 0.249 18953 4864 1 6 . 1 1 16 16 TYR N N 16 114.846 114.846 121.693 -6.847 18953 4865 1 6 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.039 0.819 18953 4866 1 6 . 1 1 16 16 TYR C C 16 176.510 176.510 174.628 1.882 18953 4867 1 6 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.771 -0.158 18953 4868 1 6 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.618 1.800 18953 4869 1 6 . 1 1 16 16 TYR H H 16 7.617 7.617 8.159 -0.542 18953 4870 1 6 . 1 1 17 17 HIS N N 17 118.443 118.443 121.501 -3.058 18953 4871 1 6 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.846 -0.036 18953 4872 1 6 . 1 1 17 17 HIS C C 17 177.970 177.970 173.528 4.442 18953 4873 1 6 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.184 0.378 18953 4874 1 6 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.364 0.240 18953 4875 1 6 . 1 1 17 17 HIS H H 17 8.785 8.785 8.577 0.208 18953 4876 1 6 . 1 1 18 18 GLU N N 18 126.223 126.223 125.591 0.632 18953 4877 1 6 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.555 0.283 18953 4878 1 6 . 1 1 18 18 GLU C C 18 176.504 176.504 174.971 1.533 18953 4879 1 6 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.233 -0.134 18953 4880 1 6 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.112 2.010 18953 4881 1 6 . 1 1 18 18 GLU H H 18 8.529 8.529 8.468 0.061 18953 4882 1 6 . 1 1 19 19 CYS N N 19 121.383 121.383 124.580 -3.197 18953 4883 1 6 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.718 -0.061 18953 4884 1 6 . 1 1 19 19 CYS C C 19 178.018 178.018 174.348 3.670 18953 4885 1 6 . 1 1 19 19 CYS CA C 19 58.777 58.777 57.559 1.218 18953 4886 1 6 . 1 1 19 19 CYS CB C 19 29.812 29.812 31.084 -1.272 18953 4887 1 6 . 1 1 19 19 CYS H H 19 9.163 9.163 8.919 0.244 18953 4888 1 6 . 1 1 20 20 MET N N 20 126.877 126.877 118.599 8.278 18953 4889 1 6 . 1 1 20 20 MET HA H 20 5.295 5.295 4.773 0.522 18953 4890 1 6 . 1 1 20 20 MET C C 20 176.776 176.776 174.521 2.255 18953 4891 1 6 . 1 1 20 20 MET CA C 20 55.260 55.260 55.734 -0.474 18953 4892 1 6 . 1 1 20 20 MET CB C 20 33.370 33.370 33.512 -0.142 18953 4893 1 6 . 1 1 20 20 MET H H 20 8.995 8.995 8.759 0.236 18953 4894 1 6 . 1 1 21 21 SER N N 21 179.042 179.042 115.274 63.768 18953 4895 1 6 . 1 1 21 21 SER HA H 21 4.658 4.658 4.848 -0.190 18953 4896 1 6 . 1 1 21 21 SER C C 21 179.042 179.042 173.405 5.637 18953 4897 1 6 . 1 1 21 21 SER CA C 21 57.586 57.586 57.125 0.461 18953 4898 1 6 . 1 1 21 21 SER CB C 21 65.782 65.782 65.977 -0.195 18953 4899 1 6 . 1 1 21 21 SER H H 21 7.990 7.990 7.697 0.293 18953 4900 1 6 . 1 1 22 22 ASP N N 22 117.203 117.203 121.540 -4.337 18953 4901 1 6 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.585 0.366 18953 4902 1 6 . 1 1 22 22 ASP C C 22 173.564 173.564 175.439 -1.875 18953 4903 1 6 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.618 0.853 18953 4904 1 6 . 1 1 22 22 ASP CB C 22 41.819 41.819 41.156 0.663 18953 4905 1 6 . 1 1 22 22 ASP H H 22 8.317 8.317 8.603 -0.286 18953 4906 1 6 . 1 1 23 23 CYS N N 23 121.308 121.308 121.377 -0.069 18953 4907 1 6 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.767 0.024 18953 4908 1 6 . 1 1 23 23 CYS C C 23 177.265 177.265 174.332 2.933 18953 4909 1 6 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.733 2.230 18953 4910 1 6 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.202 -0.790 18953 4911 1 6 . 1 1 23 23 CYS H H 23 9.410 9.410 9.078 0.332 18953 4912 1 6 . 1 1 24 24 ALA N N 24 131.693 131.693 128.503 3.190 18953 4913 1 6 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.752 -0.230 18953 4914 1 6 . 1 1 24 24 ALA C C 24 175.455 175.455 175.538 -0.083 18953 4915 1 6 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.492 2.122 18953 4916 1 6 . 1 1 24 24 ALA CB C 24 19.175 19.175 19.241 -0.066 18953 4917 1 6 . 1 1 24 24 ALA H H 24 9.210 9.210 8.855 0.355 18953 4918 1 6 . 1 1 25 25 ASP N N 25 113.873 113.873 117.243 -3.370 18953 4919 1 6 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.760 0.135 18953 4920 1 6 . 1 1 25 25 ASP C C 25 174.970 174.970 174.823 0.147 18953 4921 1 6 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.209 0.711 18953 4922 1 6 . 1 1 25 25 ASP CB C 25 40.564 40.564 41.144 -0.580 18953 4923 1 6 . 1 1 25 25 ASP H H 25 7.524 7.524 7.503 0.021 18953 4924 1 6 . 1 1 26 26 LEU N N 26 127.166 127.166 122.440 4.726 18953 4925 1 6 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.261 -0.262 18953 4926 1 6 . 1 1 26 26 LEU C C 26 173.727 173.727 177.117 -3.390 18953 4927 1 6 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.822 1.329 18953 4928 1 6 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.815 -0.456 18953 4929 1 6 . 1 1 26 26 LEU H H 26 8.495 8.495 8.596 -0.101 18953 4930 1 6 . 1 1 27 27 HIS N N 27 118.732 118.732 119.711 -0.979 18953 4931 1 6 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.282 0.255 18953 4932 1 6 . 1 1 27 27 HIS C C 27 175.667 175.667 175.559 0.108 18953 4933 1 6 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.320 -1.527 18953 4934 1 6 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.407 -1.369 18953 4935 1 6 . 1 1 27 27 HIS H H 27 8.446 8.446 7.995 0.451 18953 4936 1 6 . 1 1 28 28 SER N N 28 112.598 112.598 114.227 -1.629 18953 4937 1 6 . 1 1 28 28 SER HA H 28 3.792 3.792 4.128 -0.336 18953 4938 1 6 . 1 1 28 28 SER C C 28 177.551 177.551 175.901 1.650 18953 4939 1 6 . 1 1 28 28 SER CA C 28 60.406 60.406 61.419 -1.013 18953 4940 1 6 . 1 1 28 28 SER CB C 28 62.814 62.814 62.743 0.071 18953 4941 1 6 . 1 1 28 28 SER H H 28 7.237 7.237 8.461 -1.224 18953 4942 1 6 . 1 1 29 29 TYR N N 29 118.301 118.301 118.945 -0.644 18953 4943 1 6 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.138 0.164 18953 4944 1 6 . 1 1 29 29 TYR C C 29 176.283 176.283 176.096 0.187 18953 4945 1 6 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.255 -1.587 18953 4946 1 6 . 1 1 29 29 TYR CB C 29 39.471 39.471 38.779 0.692 18953 4947 1 6 . 1 1 29 29 TYR H H 29 7.224 7.224 7.316 -0.092 18953 4948 1 6 . 1 1 30 30 PHE N N 30 112.713 112.713 111.063 1.650 18953 4949 1 6 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.869 -0.187 18953 4950 1 6 . 1 1 30 30 PHE C C 30 177.785 177.785 173.899 3.886 18953 4951 1 6 . 1 1 30 30 PHE CA C 30 55.924 55.924 55.646 0.278 18953 4952 1 6 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.089 -0.345 18953 4953 1 6 . 1 1 30 30 PHE H H 30 7.173 7.173 7.540 -0.367 18953 4954 1 6 . 1 1 31 31 ASN N N 31 115.959 115.959 119.112 -3.153 18953 4955 1 6 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.467 0.243 18953 4956 1 6 . 1 1 31 31 ASN C C 31 176.537 176.537 174.583 1.954 18953 4957 1 6 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.523 0.028 18953 4958 1 6 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.354 0.702 18953 4959 1 6 . 1 1 31 31 ASN H H 31 8.918 8.918 8.558 0.360 18953 4960 1 6 . 1 1 32 32 ARG N N 32 117.693 117.693 117.152 0.541 18953 4961 1 6 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.515 0.112 18953 4962 1 6 . 1 1 32 32 ARG C C 32 178.177 178.177 173.387 4.790 18953 4963 1 6 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.813 -0.657 18953 4964 1 6 . 1 1 32 32 ARG CB C 32 33.091 33.091 33.375 -0.284 18953 4965 1 6 . 1 1 32 32 ARG H H 32 7.893 7.893 7.826 0.067 18953 4966 1 6 . 1 1 33 33 CYS N N 33 119.494 119.494 122.538 -3.044 18953 4967 1 6 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.636 0.316 18953 4968 1 6 . 1 1 33 33 CYS C C 33 176.223 176.223 174.305 1.918 18953 4969 1 6 . 1 1 33 33 CYS CA C 33 58.307 58.307 57.653 0.654 18953 4970 1 6 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.374 -0.623 18953 4971 1 6 . 1 1 33 33 CYS H H 33 8.161 8.161 8.734 -0.573 18953 4972 1 6 . 1 1 34 34 HIS N N 34 126.786 126.786 125.672 1.114 18953 4973 1 6 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.479 0.543 18953 4974 1 6 . 1 1 34 34 HIS C C 34 176.224 176.224 174.378 1.846 18953 4975 1 6 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.820 -0.122 18953 4976 1 6 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.154 2.155 18953 4977 1 6 . 1 1 34 34 HIS H H 34 8.325 8.325 8.636 -0.311 18953 4978 1 6 . 1 1 35 35 SER N N 35 113.132 113.132 114.062 -0.930 18953 4979 1 6 . 1 1 35 35 SER HA H 35 5.264 5.264 5.156 0.108 18953 4980 1 6 . 1 1 35 35 SER C C 35 179.093 179.093 172.500 6.593 18953 4981 1 6 . 1 1 35 35 SER CA C 35 59.951 59.951 57.147 2.804 18953 4982 1 6 . 1 1 35 35 SER CB C 35 65.754 65.754 65.514 0.240 18953 4983 1 6 . 1 1 35 35 SER H H 35 8.489 8.489 8.062 0.427 18953 4984 1 6 . 1 1 36 36 ILE N N 36 119.607 119.607 122.219 -2.612 18953 4985 1 6 . 1 1 36 36 ILE HA H 36 5.369 5.369 5.022 0.347 18953 4986 1 6 . 1 1 36 36 ILE C C 36 176.313 176.313 172.811 3.502 18953 4987 1 6 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.554 -0.060 18953 4988 1 6 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.449 3.321 18953 4989 1 6 . 1 1 36 36 ILE H H 36 8.579 8.579 9.029 -0.450 18953 4990 1 6 . 1 1 37 37 ARG N N 37 126.328 126.328 126.974 -0.646 18953 4991 1 6 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.846 0.113 18953 4992 1 6 . 1 1 37 37 ARG C C 37 176.785 176.785 173.879 2.906 18953 4993 1 6 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.173 0.940 18953 4994 1 6 . 1 1 37 37 ARG CB C 37 34.334 34.334 34.517 -0.183 18953 4995 1 6 . 1 1 37 37 ARG H H 37 9.342 9.342 8.985 0.357 18953 4996 1 6 . 1 1 38 38 VAL N N 38 125.466 125.466 128.126 -2.660 18953 4997 1 6 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.578 -0.254 18953 4998 1 6 . 1 1 38 38 VAL C C 38 175.196 175.196 175.857 -0.661 18953 4999 1 6 . 1 1 38 38 VAL CA C 38 62.436 62.436 61.773 0.663 18953 5000 1 6 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.757 -1.083 18953 5001 1 6 . 1 1 38 38 VAL H H 38 9.122 9.122 9.072 0.050 18953 5002 1 6 . 1 1 39 39 GLU N N 39 128.582 128.582 128.083 0.499 18953 5003 1 6 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.239 -0.155 18953 5004 1 6 . 1 1 39 39 GLU C C 39 175.200 175.200 176.169 -0.969 18953 5005 1 6 . 1 1 39 39 GLU CA C 39 58.498 58.498 58.411 0.087 18953 5006 1 6 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.836 0.994 18953 5007 1 6 . 1 1 39 39 GLU H H 39 8.258 8.258 8.574 -0.316 18953 5008 1 6 . 1 1 40 40 SER N N 40 108.412 108.412 111.547 -3.135 18953 5009 1 6 . 1 1 40 40 SER HA H 40 4.343 4.343 4.580 -0.237 18953 5010 1 6 . 1 1 40 40 SER C C 40 178.000 178.000 173.614 4.386 18953 5011 1 6 . 1 1 40 40 SER CA C 40 57.623 57.623 58.129 -0.506 18953 5012 1 6 . 1 1 40 40 SER CB C 40 64.539 64.539 64.766 -0.227 18953 5013 1 6 . 1 1 40 40 SER H H 40 7.753 7.753 7.333 0.420 18953 5014 1 6 . 1 1 41 41 GLY N N 41 109.451 109.451 113.326 -3.875 18953 5015 1 6 . 1 1 41 41 GLY C C 41 179.855 179.855 172.407 7.448 18953 5016 1 6 . 1 1 41 41 GLY CA C 41 44.884 44.884 45.342 -0.458 18953 5017 1 6 . 1 1 41 41 GLY H H 41 8.714 8.714 8.707 0.007 18953 5018 1 6 . 1 1 42 42 CYS N N 42 112.295 112.295 120.000 -7.705 18953 5019 1 6 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.319 -0.385 18953 5020 1 6 . 1 1 42 42 CYS C C 42 178.663 178.663 172.595 6.068 18953 5021 1 6 . 1 1 42 42 CYS CA C 42 56.877 56.877 58.117 -1.240 18953 5022 1 6 . 1 1 42 42 CYS CB C 42 31.679 31.679 30.225 1.454 18953 5023 1 6 . 1 1 42 42 CYS H H 42 7.794 7.794 8.338 -0.544 18953 5024 1 6 . 1 1 43 43 PHE N N 43 118.841 118.841 121.306 -2.465 18953 5025 1 6 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.706 0.418 18953 5026 1 6 . 1 1 43 43 PHE C C 43 178.045 178.045 173.244 4.801 18953 5027 1 6 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.796 -1.306 18953 5028 1 6 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.994 0.963 18953 5029 1 6 . 1 1 43 43 PHE H H 43 8.509 8.509 8.426 0.083 18953 5030 1 6 . 1 1 44 44 MET N N 44 119.494 119.494 123.146 -3.652 18953 5031 1 6 . 1 1 44 44 MET HA H 44 5.442 5.442 5.017 0.425 18953 5032 1 6 . 1 1 44 44 MET C C 44 174.336 174.336 175.060 -0.724 18953 5033 1 6 . 1 1 44 44 MET CA C 44 52.992 52.992 52.190 0.802 18953 5034 1 6 . 1 1 44 44 MET CB C 44 33.835 33.835 32.107 1.728 18953 5035 1 6 . 1 1 44 44 MET H H 44 9.110 9.110 8.616 0.494 18953 5036 1 6 . 1 1 45 45 VAL N N 45 117.666 117.666 120.509 -2.843 18953 5037 1 6 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.819 0.568 18953 5038 1 6 . 1 1 45 45 VAL C C 45 177.844 177.844 173.863 3.981 18953 5039 1 6 . 1 1 45 45 VAL CA C 45 59.633 59.633 60.109 -0.477 18953 5040 1 6 . 1 1 45 45 VAL CB C 45 34.280 34.280 34.146 0.134 18953 5041 1 6 . 1 1 45 45 VAL H H 45 9.345 9.345 8.787 0.558 18953 5042 1 6 . 1 1 46 46 TYR N N 46 117.876 117.876 123.762 -5.886 18953 5043 1 6 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.320 0.685 18953 5044 1 6 . 1 1 46 46 TYR C C 46 173.152 173.152 175.812 -2.660 18953 5045 1 6 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.468 -0.785 18953 5046 1 6 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.439 -1.414 18953 5047 1 6 . 1 1 46 46 TYR H H 46 8.145 8.145 9.342 -1.197 18953 5048 1 6 . 1 1 47 47 ASP N N 47 119.783 119.783 122.666 -2.883 18953 5049 1 6 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.722 0.163 18953 5050 1 6 . 1 1 47 47 ASP C C 47 176.040 176.040 175.708 0.332 18953 5051 1 6 . 1 1 47 47 ASP CA C 47 53.826 53.826 54.810 -0.984 18953 5052 1 6 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.886 -0.819 18953 5053 1 6 . 1 1 47 47 ASP H H 47 8.690 8.690 8.845 -0.155 18953 5054 1 6 . 1 1 48 48 ARG N N 48 116.008 116.008 117.009 -1.001 18953 5055 1 6 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.685 0.053 18953 5056 1 6 . 1 1 48 48 ARG C C 48 175.495 175.495 175.056 0.439 18953 5057 1 6 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.255 0.090 18953 5058 1 6 . 1 1 48 48 ARG CB C 48 34.662 34.662 33.950 0.712 18953 5059 1 6 . 1 1 48 48 ARG H H 48 7.627 7.627 8.197 -0.570 18953 5060 1 6 . 1 1 49 49 THR N N 49 110.526 110.526 114.400 -3.874 18953 5061 1 6 . 1 1 49 49 THR HA H 49 3.790 3.790 4.076 -0.286 18953 5062 1 6 . 1 1 49 49 THR C C 49 176.951 176.951 174.335 2.616 18953 5063 1 6 . 1 1 49 49 THR CA C 49 62.112 62.112 63.390 -1.278 18953 5064 1 6 . 1 1 49 49 THR CB C 49 70.189 70.189 69.207 0.982 18953 5065 1 6 . 1 1 49 49 THR H H 49 8.173 8.173 8.304 -0.131 18953 5066 1 6 . 1 1 50 50 ASN N N 50 112.515 112.515 117.925 -5.410 18953 5067 1 6 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.510 -0.261 18953 5068 1 6 . 1 1 50 50 ASN C C 50 178.172 178.172 173.179 4.993 18953 5069 1 6 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.771 0.606 18953 5070 1 6 . 1 1 50 50 ASN CB C 50 36.907 36.907 36.239 0.668 18953 5071 1 6 . 1 1 50 50 ASN H H 50 9.654 9.654 8.108 1.546 18953 5072 1 6 . 1 1 51 51 PHE N N 51 110.557 110.557 109.184 1.373 18953 5073 1 6 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.879 -0.229 18953 5074 1 6 . 1 1 51 51 PHE C C 51 176.292 176.292 174.098 2.194 18953 5075 1 6 . 1 1 51 51 PHE CA C 51 55.668 55.668 58.118 -2.450 18953 5076 1 6 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.034 0.898 18953 5077 1 6 . 1 1 51 51 PHE H H 51 7.568 7.568 7.631 -0.063 18953 5078 1 6 . 1 1 52 52 MET N N 52 117.547 117.547 116.872 0.675 18953 5079 1 6 . 1 1 52 52 MET HA H 52 4.859 4.859 4.833 0.026 18953 5080 1 6 . 1 1 52 52 MET C C 52 177.399 177.399 175.430 1.969 18953 5081 1 6 . 1 1 52 52 MET CA C 52 53.946 53.946 54.674 -0.728 18953 5082 1 6 . 1 1 52 52 MET CB C 52 35.335 35.335 36.759 -1.424 18953 5083 1 6 . 1 1 52 52 MET H H 52 6.355 6.355 7.414 -1.059 18953 5084 1 6 . 1 1 53 53 GLY N N 53 103.445 103.445 107.400 -3.955 18953 5085 1 6 . 1 1 53 53 GLY C C 53 175.327 175.327 174.166 1.161 18953 5086 1 6 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.841 -0.258 18953 5087 1 6 . 1 1 53 53 GLY H H 53 8.256 8.256 8.683 -0.427 18953 5088 1 6 . 1 1 54 54 ARG N N 54 124.195 124.195 122.322 1.873 18953 5089 1 6 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.048 0.114 18953 5090 1 6 . 1 1 54 54 ARG C C 54 177.235 177.235 175.184 2.051 18953 5091 1 6 . 1 1 54 54 ARG CA C 54 57.200 57.200 56.968 0.232 18953 5092 1 6 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.420 0.795 18953 5093 1 6 . 1 1 54 54 ARG H H 54 9.034 9.034 8.561 0.473 18953 5094 1 6 . 1 1 55 55 GLN N N 55 118.867 118.867 123.598 -4.731 18953 5095 1 6 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.758 0.261 18953 5096 1 6 . 1 1 55 55 GLN C C 55 176.166 176.166 174.294 1.872 18953 5097 1 6 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.232 -1.118 18953 5098 1 6 . 1 1 55 55 GLN CB C 55 31.471 31.471 31.267 0.204 18953 5099 1 6 . 1 1 55 55 GLN H H 55 7.657 7.657 8.396 -0.739 18953 5100 1 6 . 1 1 56 56 TYR N N 56 117.323 117.323 124.358 -7.035 18953 5101 1 6 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.734 -0.284 18953 5102 1 6 . 1 1 56 56 TYR C C 56 177.276 177.276 174.199 3.077 18953 5103 1 6 . 1 1 56 56 TYR CA C 56 57.213 57.213 56.272 0.941 18953 5104 1 6 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.202 -0.641 18953 5105 1 6 . 1 1 56 56 TYR H H 56 8.704 8.704 8.958 -0.254 18953 5106 1 6 . 1 1 57 57 PHE N N 57 125.557 125.557 122.295 3.262 18953 5107 1 6 . 1 1 57 57 PHE HA H 57 5.217 5.217 5.087 0.130 18953 5108 1 6 . 1 1 57 57 PHE C C 57 176.412 176.412 174.113 2.299 18953 5109 1 6 . 1 1 57 57 PHE CA C 57 58.371 58.371 56.018 2.353 18953 5110 1 6 . 1 1 57 57 PHE CB C 57 40.989 40.989 39.600 1.389 18953 5111 1 6 . 1 1 57 57 PHE H H 57 8.600 8.600 8.834 -0.234 18953 5112 1 6 . 1 1 58 58 LEU N N 58 129.141 129.141 126.782 2.359 18953 5113 1 6 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.365 -0.010 18953 5114 1 6 . 1 1 58 58 LEU C C 58 177.356 177.356 176.148 1.208 18953 5115 1 6 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.428 0.422 18953 5116 1 6 . 1 1 58 58 LEU CB C 58 44.886 44.886 43.669 1.217 18953 5117 1 6 . 1 1 58 58 LEU H H 58 8.969 8.969 8.784 0.185 18953 5118 1 6 . 1 1 59 59 ARG N N 59 118.569 118.569 123.157 -4.588 18953 5119 1 6 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.662 -0.099 18953 5120 1 6 . 1 1 59 59 ARG C C 59 175.341 175.341 176.298 -0.957 18953 5121 1 6 . 1 1 59 59 ARG CA C 59 53.734 53.734 54.856 -1.122 18953 5122 1 6 . 1 1 59 59 ARG CB C 59 32.396 32.396 31.500 0.896 18953 5123 1 6 . 1 1 59 59 ARG H H 59 7.107 7.107 8.570 -1.463 18953 5124 1 6 . 1 1 60 60 ARG N N 60 121.635 121.635 122.720 -1.085 18953 5125 1 6 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.905 0.060 18953 5126 1 6 . 1 1 60 60 ARG C C 60 175.525 175.525 175.543 -0.018 18953 5127 1 6 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.964 -0.010 18953 5128 1 6 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.737 1.153 18953 5129 1 6 . 1 1 60 60 ARG H H 60 8.258 8.258 8.035 0.223 18953 5130 1 6 . 1 1 61 61 GLY N N 61 112.955 112.955 113.713 -0.758 18953 5131 1 6 . 1 1 61 61 GLY C C 61 180.518 180.518 171.507 9.011 18953 5132 1 6 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.837 -0.159 18953 5133 1 6 . 1 1 61 61 GLY H H 61 8.706 8.706 8.126 0.580 18953 5134 1 6 . 1 1 62 62 GLU N N 62 117.563 117.563 118.888 -1.325 18953 5135 1 6 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.598 -0.049 18953 5136 1 6 . 1 1 62 62 GLU C C 62 176.249 176.249 175.008 1.241 18953 5137 1 6 . 1 1 62 62 GLU CA C 62 55.813 55.813 54.538 1.276 18953 5138 1 6 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.835 1.009 18953 5139 1 6 . 1 1 62 62 GLU H H 62 8.161 8.161 8.261 -0.100 18953 5140 1 6 . 1 1 63 63 TYR N N 63 119.057 119.057 124.654 -5.597 18953 5141 1 6 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.965 0.211 18953 5142 1 6 . 1 1 63 63 TYR CA C 63 55.273 55.273 55.784 -0.511 18953 5143 1 6 . 1 1 63 63 TYR CB C 63 38.048 38.048 40.500 -2.452 18953 5144 1 6 . 1 1 63 63 TYR H H 63 8.827 8.827 8.698 0.129 18953 5145 1 6 . 1 1 64 64 PRO HA H 64 3.684 3.684 3.852 -0.168 18953 5146 1 6 . 1 1 64 64 PRO CA C 64 64.970 64.970 63.538 1.432 18953 5147 1 6 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.108 0.027 18953 5148 1 6 . 1 1 65 65 ASP N N 65 118.810 118.810 114.193 4.617 18953 5149 1 6 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.053 -0.006 18953 5150 1 6 . 1 1 65 65 ASP C C 65 174.175 174.175 174.438 -0.263 18953 5151 1 6 . 1 1 65 65 ASP CA C 65 53.574 53.574 52.668 0.906 18953 5152 1 6 . 1 1 65 65 ASP CB C 65 39.805 39.805 42.450 -2.645 18953 5153 1 6 . 1 1 65 65 ASP H H 65 8.600 8.600 7.642 0.958 18953 5154 1 6 . 1 1 66 66 TYR N N 66 119.662 119.662 116.470 3.192 18953 5155 1 6 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.852 -0.451 18953 5156 1 6 . 1 1 66 66 TYR C C 66 175.431 175.431 174.573 0.858 18953 5157 1 6 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.062 3.911 18953 5158 1 6 . 1 1 66 66 TYR CB C 66 38.024 38.024 39.298 -1.274 18953 5159 1 6 . 1 1 66 66 TYR H H 66 6.530 6.530 7.819 -1.289 18953 5160 1 6 . 1 1 67 67 MET N N 67 121.502 121.502 118.599 2.903 18953 5161 1 6 . 1 1 67 67 MET HA H 67 3.626 3.626 4.297 -0.671 18953 5162 1 6 . 1 1 67 67 MET C C 67 172.742 172.742 177.685 -4.943 18953 5163 1 6 . 1 1 67 67 MET CA C 67 59.998 59.998 57.200 2.798 18953 5164 1 6 . 1 1 67 67 MET CB C 67 32.064 32.064 33.178 -1.113 18953 5165 1 6 . 1 1 67 67 MET H H 67 8.299 8.299 8.064 0.235 18953 5166 1 6 . 1 1 68 68 ARG N N 68 116.824 116.824 116.923 -0.099 18953 5167 1 6 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.381 -0.226 18953 5168 1 6 . 1 1 68 68 ARG C C 68 171.982 171.982 177.076 -5.094 18953 5169 1 6 . 1 1 68 68 ARG CA C 68 58.600 58.600 57.809 0.791 18953 5170 1 6 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.017 1.039 18953 5171 1 6 . 1 1 68 68 ARG H H 68 6.919 6.919 8.093 -1.174 18953 5172 1 6 . 1 1 69 69 THR N N 69 111.292 111.292 111.609 -0.317 18953 5173 1 6 . 1 1 69 69 THR HA H 69 4.101 4.101 4.242 -0.141 18953 5174 1 6 . 1 1 69 69 THR C C 69 174.584 174.584 175.057 -0.473 18953 5175 1 6 . 1 1 69 69 THR CA C 69 65.512 65.512 63.861 1.651 18953 5176 1 6 . 1 1 69 69 THR CB C 69 68.821 68.821 69.060 -0.239 18953 5177 1 6 . 1 1 69 69 THR H H 69 8.020 8.020 8.046 -0.026 18953 5178 1 6 . 1 1 70 70 MET N N 70 117.481 117.481 118.313 -0.832 18953 5179 1 6 . 1 1 70 70 MET HA H 70 4.496 4.496 4.527 -0.031 18953 5180 1 6 . 1 1 70 70 MET C C 70 175.015 175.015 176.312 -1.297 18953 5181 1 6 . 1 1 70 70 MET CA C 70 56.029 56.029 55.553 0.476 18953 5182 1 6 . 1 1 70 70 MET CB C 70 33.013 33.013 34.628 -1.615 18953 5183 1 6 . 1 1 70 70 MET H H 70 8.315 8.315 7.498 0.817 18953 5184 1 6 . 1 1 71 71 GLY N N 71 108.537 108.537 108.596 -0.059 18953 5185 1 6 . 1 1 71 71 GLY C C 71 176.534 176.534 172.963 3.571 18953 5186 1 6 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.246 1.963 18953 5187 1 6 . 1 1 71 71 GLY H H 71 7.352 7.352 7.884 -0.532 18953 5188 1 6 . 1 1 72 72 MET N N 72 118.363 118.363 118.337 0.026 18953 5189 1 6 . 1 1 72 72 MET HA H 72 4.375 4.375 4.871 -0.496 18953 5190 1 6 . 1 1 72 72 MET C C 72 176.034 176.034 174.941 1.093 18953 5191 1 6 . 1 1 72 72 MET CA C 72 55.884 55.884 54.418 1.466 18953 5192 1 6 . 1 1 72 72 MET CB C 72 35.756 35.756 35.725 0.031 18953 5193 1 6 . 1 1 72 72 MET H H 72 7.888 7.888 7.446 0.442 18953 5194 1 6 . 1 1 73 73 ASN N N 73 119.052 119.052 125.507 -6.455 18953 5195 1 6 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.765 -0.044 18953 5196 1 6 . 1 1 73 73 ASN C C 73 177.307 177.307 174.136 3.171 18953 5197 1 6 . 1 1 73 73 ASN CA C 73 53.866 53.866 53.090 0.776 18953 5198 1 6 . 1 1 73 73 ASN CB C 73 39.872 39.872 37.846 2.026 18953 5199 1 6 . 1 1 73 73 ASN H H 73 8.956 8.956 8.920 0.036 18953 5200 1 6 . 1 1 74 74 ASP N N 74 118.536 118.536 116.895 1.641 18953 5201 1 6 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.646 0.230 18953 5202 1 6 . 1 1 74 74 ASP C C 74 177.595 177.595 174.326 3.269 18953 5203 1 6 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.580 -1.034 18953 5204 1 6 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.227 2.816 18953 5205 1 6 . 1 1 74 74 ASP H H 74 7.831 7.831 7.801 0.030 18953 5206 1 6 . 1 1 75 75 CYS N N 75 116.378 116.378 115.741 0.637 18953 5207 1 6 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.112 -0.451 18953 5208 1 6 . 1 1 75 75 CYS C C 75 177.301 177.301 175.127 2.174 18953 5209 1 6 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.803 1.269 18953 5210 1 6 . 1 1 75 75 CYS CB C 75 29.613 29.613 31.105 -1.492 18953 5211 1 6 . 1 1 75 75 CYS H H 75 8.527 8.527 8.375 0.152 18953 5212 1 6 . 1 1 76 76 VAL N N 76 116.516 116.516 114.703 1.813 18953 5213 1 6 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.250 -0.340 18953 5214 1 6 . 1 1 76 76 VAL C C 76 175.906 175.906 175.869 0.037 18953 5215 1 6 . 1 1 76 76 VAL CA C 76 63.823 63.823 62.271 1.552 18953 5216 1 6 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.532 0.173 18953 5217 1 6 . 1 1 76 76 VAL H H 76 7.296 7.296 8.305 -1.009 18953 5218 1 6 . 1 1 77 77 ARG N N 77 120.435 120.435 121.936 -1.501 18953 5219 1 6 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.545 -0.165 18953 5220 1 6 . 1 1 77 77 ARG C C 77 175.519 175.519 176.011 -0.492 18953 5221 1 6 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.000 -0.592 18953 5222 1 6 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.370 1.841 18953 5223 1 6 . 1 1 77 77 ARG H H 77 8.923 8.923 8.746 0.177 18953 5224 1 6 . 1 1 78 78 SER N N 78 110.315 110.315 112.392 -2.077 18953 5225 1 6 . 1 1 78 78 SER HA H 78 4.533 4.533 5.259 -0.726 18953 5226 1 6 . 1 1 78 78 SER C C 78 177.603 177.603 172.515 5.088 18953 5227 1 6 . 1 1 78 78 SER CA C 78 59.512 59.512 56.965 2.547 18953 5228 1 6 . 1 1 78 78 SER CB C 78 65.883 65.883 65.582 0.301 18953 5229 1 6 . 1 1 78 78 SER H H 78 8.100 8.100 8.115 -0.015 18953 5230 1 6 . 1 1 79 79 CYS N N 79 112.901 112.901 117.485 -4.584 18953 5231 1 6 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.689 0.628 18953 5232 1 6 . 1 1 79 79 CYS C C 79 179.601 179.601 172.593 7.008 18953 5233 1 6 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.789 -1.310 18953 5234 1 6 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.019 0.331 18953 5235 1 6 . 1 1 79 79 CYS H H 79 9.438 9.438 9.329 0.109 18953 5236 1 6 . 1 1 80 80 ARG N N 80 122.877 122.877 121.765 1.112 18953 5237 1 6 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.770 0.257 18953 5238 1 6 . 1 1 80 80 ARG C C 80 176.888 176.888 173.653 3.235 18953 5239 1 6 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.674 0.012 18953 5240 1 6 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.680 0.006 18953 5241 1 6 . 1 1 80 80 ARG H H 80 10.005 10.005 9.333 0.672 18953 5242 1 6 . 1 1 81 81 MET N N 81 125.699 125.699 122.409 3.290 18953 5243 1 6 . 1 1 81 81 MET HA H 81 3.494 3.494 3.632 -0.138 18953 5244 1 6 . 1 1 81 81 MET C C 81 176.369 176.369 174.905 1.464 18953 5245 1 6 . 1 1 81 81 MET CA C 81 55.587 55.587 53.810 1.777 18953 5246 1 6 . 1 1 81 81 MET CB C 81 34.241 34.241 34.479 -0.238 18953 5247 1 6 . 1 1 81 81 MET H H 81 9.198 9.198 8.327 0.871 18953 5248 1 6 . 1 1 82 82 ILE N N 82 131.119 131.119 126.386 4.733 18953 5249 1 6 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.291 -0.257 18953 5250 1 6 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.395 0.455 18953 5251 1 6 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.054 1.139 18953 5252 1 6 . 1 1 82 82 ILE H H 82 7.744 7.744 8.410 -0.666 18953 5253 1 6 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.383 -0.182 18953 5254 1 6 . 1 1 83 83 PRO C C 83 176.434 176.434 177.102 -0.668 18953 5255 1 6 . 1 1 83 83 PRO CA C 83 62.426 62.426 63.201 -0.775 18953 5256 1 6 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.111 0.283 18953 5257 1 6 . 1 1 84 84 LEU N N 84 120.509 120.509 119.991 0.518 18953 5258 1 6 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.643 -0.403 18953 5259 1 6 . 1 1 84 84 LEU C C 84 174.899 174.899 175.896 -0.997 18953 5260 1 6 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.163 0.364 18953 5261 1 6 . 1 1 84 84 LEU CB C 84 41.560 41.560 40.282 1.278 18953 5262 1 6 . 1 1 84 84 LEU H H 84 7.873 7.873 8.360 -0.487 18953 5263 1 6 . 1 1 85 85 HIS N N 85 125.245 125.245 121.353 3.892 18953 5264 1 6 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.856 -0.272 18953 5265 1 6 . 1 1 85 85 HIS CA C 85 56.167 56.167 55.588 0.579 18953 5266 1 6 . 1 1 85 85 HIS CB C 85 32.644 32.644 31.400 1.244 18953 5267 1 6 . 1 1 85 85 HIS H H 85 8.600 8.600 7.834 0.766 18953 5268 1 6 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.576 0.185 18953 5269 1 6 . 1 1 86 86 HIS C C 86 177.250 177.250 173.475 3.775 18953 5270 1 6 . 1 1 86 86 HIS CA C 86 54.709 54.709 54.793 -0.084 18953 5271 1 6 . 1 1 86 86 HIS CB C 86 29.670 29.670 30.220 -0.550 18953 5272 1 6 . 1 1 86 86 HIS H H 86 8.500 8.500 8.533 -0.033 18953 5273 1 6 . 1 1 87 87 GLY N N 87 107.909 107.909 114.019 -6.110 18953 5274 1 6 . 1 1 87 87 GLY C C 87 178.627 178.627 173.475 5.152 18953 5275 1 6 . 1 1 87 87 GLY CA C 87 44.861 44.861 45.264 -0.403 18953 5276 1 6 . 1 1 87 87 GLY H H 87 6.662 6.662 8.228 -1.566 18953 5277 1 6 . 1 1 88 88 SER N N 88 116.742 116.742 113.816 2.926 18953 5278 1 6 . 1 1 88 88 SER HA H 88 4.528 4.528 4.686 -0.158 18953 5279 1 6 . 1 1 88 88 SER C C 88 178.527 178.527 172.563 5.964 18953 5280 1 6 . 1 1 88 88 SER CA C 88 58.279 58.279 57.465 0.814 18953 5281 1 6 . 1 1 88 88 SER CB C 88 64.360 64.360 65.239 -0.879 18953 5282 1 6 . 1 1 88 88 SER H H 88 8.235 8.235 8.688 -0.453 18953 5283 1 6 . 1 1 89 89 PHE N N 89 119.985 119.985 118.485 1.500 18953 5284 1 6 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.215 -0.647 18953 5285 1 6 . 1 1 89 89 PHE C C 89 176.551 176.551 175.351 1.200 18953 5286 1 6 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.267 -0.532 18953 5287 1 6 . 1 1 89 89 PHE CB C 89 41.321 41.321 41.977 -0.656 18953 5288 1 6 . 1 1 89 89 PHE H H 89 8.478 8.478 8.633 -0.155 18953 5289 1 6 . 1 1 90 90 LYS N N 90 122.179 122.179 126.369 -4.190 18953 5290 1 6 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.981 0.175 18953 5291 1 6 . 1 1 90 90 LYS C C 90 177.501 177.501 173.882 3.619 18953 5292 1 6 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.774 1.038 18953 5293 1 6 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.614 -0.913 18953 5294 1 6 . 1 1 90 90 LYS H H 90 9.130 9.130 8.728 0.402 18953 5295 1 6 . 1 1 91 91 MET N N 91 127.037 127.037 125.733 1.304 18953 5296 1 6 . 1 1 91 91 MET HA H 91 4.835 4.835 5.022 -0.187 18953 5297 1 6 . 1 1 91 91 MET C C 91 179.276 179.276 173.846 5.430 18953 5298 1 6 . 1 1 91 91 MET CA C 91 54.527 54.527 53.629 0.898 18953 5299 1 6 . 1 1 91 91 MET CB C 91 36.920 36.920 36.799 0.121 18953 5300 1 6 . 1 1 91 91 MET H H 91 9.202 9.202 8.869 0.333 18953 5301 1 6 . 1 1 92 92 ARG N N 92 121.520 121.520 125.187 -3.667 18953 5302 1 6 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.553 0.315 18953 5303 1 6 . 1 1 92 92 ARG C C 92 177.432 177.432 174.841 2.591 18953 5304 1 6 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.132 -0.134 18953 5305 1 6 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.716 2.769 18953 5306 1 6 . 1 1 92 92 ARG H H 92 8.776 8.776 9.070 -0.294 18953 5307 1 6 . 1 1 93 93 LEU N N 93 124.749 124.749 124.427 0.322 18953 5308 1 6 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.492 -0.217 18953 5309 1 6 . 1 1 93 93 LEU C C 93 176.662 176.662 175.510 1.152 18953 5310 1 6 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.727 -0.031 18953 5311 1 6 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.593 0.297 18953 5312 1 6 . 1 1 93 93 LEU H H 93 8.841 8.841 8.749 0.092 18953 5313 1 6 . 1 1 94 94 TYR N N 94 116.673 116.673 120.822 -4.149 18953 5314 1 6 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.877 0.547 18953 5315 1 6 . 1 1 94 94 TYR C C 94 175.232 175.232 175.467 -0.235 18953 5316 1 6 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.194 -0.133 18953 5317 1 6 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.664 -1.301 18953 5318 1 6 . 1 1 94 94 TYR H H 94 8.161 8.161 8.967 -0.806 18953 5319 1 6 . 1 1 95 95 GLU N N 95 121.556 121.556 123.818 -2.262 18953 5320 1 6 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.125 -0.091 18953 5321 1 6 . 1 1 95 95 GLU C C 95 174.587 174.587 176.061 -1.474 18953 5322 1 6 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.128 0.832 18953 5323 1 6 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.129 3.395 18953 5324 1 6 . 1 1 95 95 GLU H H 95 8.537 8.537 8.498 0.039 18953 5325 1 6 . 1 1 96 96 HIS N N 96 113.214 113.214 117.215 -4.001 18953 5326 1 6 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.797 0.509 18953 5327 1 6 . 1 1 96 96 HIS C C 96 175.830 175.830 175.593 0.237 18953 5328 1 6 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.951 -0.805 18953 5329 1 6 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.857 0.507 18953 5330 1 6 . 1 1 96 96 HIS H H 96 8.154 8.154 7.636 0.518 18953 5331 1 6 . 1 1 97 97 SER N N 97 115.997 115.997 115.502 0.495 18953 5332 1 6 . 1 1 97 97 SER HA H 97 4.196 4.196 4.638 -0.442 18953 5333 1 6 . 1 1 97 97 SER C C 97 177.588 177.588 175.197 2.391 18953 5334 1 6 . 1 1 97 97 SER CA C 97 59.180 59.180 59.320 -0.140 18953 5335 1 6 . 1 1 97 97 SER CB C 97 63.740 63.740 63.387 0.353 18953 5336 1 6 . 1 1 97 97 SER H H 97 8.728 8.728 8.855 -0.127 18953 5337 1 6 . 1 1 98 98 ASP N N 98 116.560 116.560 120.428 -3.868 18953 5338 1 6 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.214 -0.249 18953 5339 1 6 . 1 1 98 98 ASP C C 98 176.991 176.991 175.857 1.134 18953 5340 1 6 . 1 1 98 98 ASP CA C 98 56.873 56.873 56.859 0.014 18953 5341 1 6 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.689 -0.175 18953 5342 1 6 . 1 1 98 98 ASP H H 98 9.714 9.714 8.661 1.053 18953 5343 1 6 . 1 1 99 99 MET N N 99 112.109 112.109 119.607 -7.498 18953 5344 1 6 . 1 1 99 99 MET HA H 99 2.689 2.689 3.961 -1.272 18953 5345 1 6 . 1 1 99 99 MET C C 99 176.133 176.133 174.883 1.250 18953 5346 1 6 . 1 1 99 99 MET CA C 99 56.596 56.596 53.570 3.026 18953 5347 1 6 . 1 1 99 99 MET CB C 99 27.203 27.203 32.638 -5.435 18953 5348 1 6 . 1 1 99 99 MET H H 99 8.425 8.425 7.981 0.444 18953 5349 1 6 . 1 1 100 100 GLY N N 100 104.572 104.572 107.044 -2.472 18953 5350 1 6 . 1 1 100 100 GLY C C 100 177.855 177.855 174.768 3.087 18953 5351 1 6 . 1 1 100 100 GLY CA C 100 44.345 44.345 44.047 0.298 18953 5352 1 6 . 1 1 100 100 GLY H H 100 6.670 6.670 7.525 -0.855 18953 5353 1 6 . 1 1 101 101 GLY N N 101 105.792 105.792 108.336 -2.544 18953 5354 1 6 . 1 1 101 101 GLY C C 101 177.525 177.525 174.374 3.151 18953 5355 1 6 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.315 0.791 18953 5356 1 6 . 1 1 101 101 GLY H H 101 8.446 8.446 7.943 0.503 18953 5357 1 6 . 1 1 102 102 ARG N N 102 121.688 121.688 119.540 2.148 18953 5358 1 6 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.112 -0.114 18953 5359 1 6 . 1 1 102 102 ARG C C 102 177.803 177.803 176.760 1.043 18953 5360 1 6 . 1 1 102 102 ARG CA C 102 58.368 58.368 55.996 2.372 18953 5361 1 6 . 1 1 102 102 ARG CB C 102 31.684 31.684 30.703 0.981 18953 5362 1 6 . 1 1 102 102 ARG H H 102 8.785 8.785 8.036 0.749 18953 5363 1 6 . 1 1 103 103 MET N N 103 122.371 122.371 121.305 1.066 18953 5364 1 6 . 1 1 103 103 MET HA H 103 4.754 4.754 4.892 -0.138 18953 5365 1 6 . 1 1 103 103 MET C C 103 175.490 175.490 175.362 0.128 18953 5366 1 6 . 1 1 103 103 MET CA C 103 53.993 53.993 54.263 -0.270 18953 5367 1 6 . 1 1 103 103 MET CB C 103 34.860 34.860 33.145 1.715 18953 5368 1 6 . 1 1 103 103 MET H H 103 7.905 7.905 8.220 -0.315 18953 5369 1 6 . 1 1 104 104 MET N N 104 127.629 127.629 123.409 4.220 18953 5370 1 6 . 1 1 104 104 MET HA H 104 4.318 4.318 4.451 -0.133 18953 5371 1 6 . 1 1 104 104 MET C C 104 177.870 177.870 174.589 3.281 18953 5372 1 6 . 1 1 104 104 MET CA C 104 54.080 54.080 54.441 -0.361 18953 5373 1 6 . 1 1 104 104 MET CB C 104 35.315 35.315 35.392 -0.077 18953 5374 1 6 . 1 1 104 104 MET H H 104 8.796 8.796 8.128 0.668 18953 5375 1 6 . 1 1 105 105 GLU N N 105 123.753 123.753 122.288 1.465 18953 5376 1 6 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.881 -0.035 18953 5377 1 6 . 1 1 105 105 GLU C C 105 176.871 176.871 175.478 1.393 18953 5378 1 6 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.357 0.331 18953 5379 1 6 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.608 1.907 18953 5380 1 6 . 1 1 105 105 GLU H H 105 8.467 8.467 8.350 0.117 18953 5381 1 6 . 1 1 106 106 LEU N N 106 125.076 125.076 125.914 -0.838 18953 5382 1 6 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.869 0.019 18953 5383 1 6 . 1 1 106 106 LEU C C 106 175.666 175.666 175.165 0.501 18953 5384 1 6 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.514 0.386 18953 5385 1 6 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.612 2.185 18953 5386 1 6 . 1 1 106 106 LEU H H 106 8.933 8.933 8.998 -0.065 18953 5387 1 6 . 1 1 107 107 MET N N 107 120.889 120.889 124.900 -4.011 18953 5388 1 6 . 1 1 107 107 MET HA H 107 5.152 5.152 4.805 0.347 18953 5389 1 6 . 1 1 107 107 MET C C 107 177.873 177.873 174.878 2.995 18953 5390 1 6 . 1 1 107 107 MET CA C 107 55.430 55.430 55.929 -0.499 18953 5391 1 6 . 1 1 107 107 MET CB C 107 35.107 35.107 33.896 1.211 18953 5392 1 6 . 1 1 107 107 MET H H 107 9.099 9.099 8.858 0.241 18953 5393 1 6 . 1 1 108 108 ASP N N 108 120.261 120.261 117.628 2.633 18953 5394 1 6 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.782 -0.333 18953 5395 1 6 . 1 1 108 108 ASP C C 108 178.998 178.998 174.704 4.294 18953 5396 1 6 . 1 1 108 108 ASP CA C 108 51.953 51.953 51.979 -0.026 18953 5397 1 6 . 1 1 108 108 ASP CB C 108 43.335 43.335 42.454 0.881 18953 5398 1 6 . 1 1 108 108 ASP H H 108 7.874 7.874 7.931 -0.057 18953 5399 1 6 . 1 1 109 109 ASP N N 109 115.191 115.191 117.454 -2.263 18953 5400 1 6 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.634 0.204 18953 5401 1 6 . 1 1 109 109 ASP C C 109 174.768 174.768 175.192 -0.424 18953 5402 1 6 . 1 1 109 109 ASP CA C 109 55.106 55.106 53.606 1.500 18953 5403 1 6 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.897 -0.839 18953 5404 1 6 . 1 1 109 109 ASP H H 109 8.065 8.065 8.350 -0.285 18953 5405 1 6 . 1 1 110 110 CYS N N 110 120.716 120.716 122.103 -1.387 18953 5406 1 6 . 1 1 110 110 CYS HA H 110 5.139 5.139 5.019 0.120 18953 5407 1 6 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.361 0.456 18953 5408 1 6 . 1 1 110 110 CYS CB C 110 29.730 29.730 29.250 0.480 18953 5409 1 6 . 1 1 110 110 CYS H H 110 9.583 9.583 8.488 1.095 18953 5410 1 6 . 1 1 111 111 PRO HA H 111 3.971 3.971 4.104 -0.133 18953 5411 1 6 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.167 -0.023 18953 5412 1 6 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.388 -0.479 18953 5413 1 6 . 1 1 112 112 ASN N N 112 116.300 116.300 116.559 -0.259 18953 5414 1 6 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.757 0.018 18953 5415 1 6 . 1 1 112 112 ASN C C 112 175.948 175.948 174.841 1.107 18953 5416 1 6 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.505 1.616 18953 5417 1 6 . 1 1 112 112 ASN CB C 112 38.709 38.709 39.153 -0.444 18953 5418 1 6 . 1 1 112 112 ASN H H 112 7.385 7.385 7.730 -0.345 18953 5419 1 6 . 1 1 113 113 LEU N N 113 129.895 129.895 123.559 6.336 18953 5420 1 6 . 1 1 113 113 LEU HA H 113 4.157 4.157 3.831 0.326 18953 5421 1 6 . 1 1 113 113 LEU C C 113 173.709 173.709 178.183 -4.474 18953 5422 1 6 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.711 1.178 18953 5423 1 6 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.297 0.154 18953 5424 1 6 . 1 1 113 113 LEU H H 113 8.154 8.154 8.538 -0.384 18953 5425 1 6 . 1 1 114 114 MET N N 114 120.939 120.939 118.172 2.767 18953 5426 1 6 . 1 1 114 114 MET HA H 114 4.204 4.204 4.059 0.145 18953 5427 1 6 . 1 1 114 114 MET C C 114 171.942 171.942 177.250 -5.308 18953 5428 1 6 . 1 1 114 114 MET CA C 114 58.354 58.354 58.679 -0.325 18953 5429 1 6 . 1 1 114 114 MET CB C 114 31.118 31.118 32.050 -0.931 18953 5430 1 6 . 1 1 114 114 MET H H 114 8.421 8.421 8.229 0.192 18953 5431 1 6 . 1 1 115 115 ASP N N 115 119.204 119.204 118.182 1.022 18953 5432 1 6 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.505 -0.232 18953 5433 1 6 . 1 1 115 115 ASP C C 115 174.228 174.228 177.853 -3.625 18953 5434 1 6 . 1 1 115 115 ASP CA C 115 56.737 56.737 56.142 0.595 18953 5435 1 6 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.471 0.150 18953 5436 1 6 . 1 1 115 115 ASP H H 115 7.695 7.695 7.725 -0.030 18953 5437 1 6 . 1 1 116 116 ARG N N 116 116.937 116.937 118.952 -2.015 18953 5438 1 6 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.157 -0.099 18953 5439 1 6 . 1 1 116 116 ARG C C 116 174.084 174.084 177.862 -3.778 18953 5440 1 6 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.228 -0.389 18953 5441 1 6 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.334 1.765 18953 5442 1 6 . 1 1 116 116 ARG H H 116 7.118 7.118 7.298 -0.180 18953 5443 1 6 . 1 1 117 117 PHE N N 117 113.914 113.914 116.194 -2.280 18953 5444 1 6 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.783 0.342 18953 5445 1 6 . 1 1 117 117 PHE C C 117 175.681 175.681 175.466 0.215 18953 5446 1 6 . 1 1 117 117 PHE CA C 117 57.040 57.040 55.937 1.103 18953 5447 1 6 . 1 1 117 117 PHE CB C 117 41.881 41.881 38.839 3.042 18953 5448 1 6 . 1 1 117 117 PHE H H 117 8.641 8.641 7.702 0.939 18953 5449 1 6 . 1 1 118 118 ASN N N 118 117.137 117.137 117.881 -0.744 18953 5450 1 6 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.523 0.323 18953 5451 1 6 . 1 1 118 118 ASN C C 118 177.553 177.553 174.407 3.146 18953 5452 1 6 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.390 0.648 18953 5453 1 6 . 1 1 118 118 ASN CB C 118 38.049 38.049 37.545 0.504 18953 5454 1 6 . 1 1 118 118 ASN H H 118 8.478 8.478 7.961 0.517 18953 5455 1 6 . 1 1 119 119 MET N N 119 114.316 114.316 117.725 -3.409 18953 5456 1 6 . 1 1 119 119 MET HA H 119 4.386 4.386 4.603 -0.217 18953 5457 1 6 . 1 1 119 119 MET C C 119 178.321 178.321 173.654 4.667 18953 5458 1 6 . 1 1 119 119 MET CA C 119 55.950 55.950 55.146 0.804 18953 5459 1 6 . 1 1 119 119 MET CB C 119 37.233 37.233 34.371 2.862 18953 5460 1 6 . 1 1 119 119 MET H H 119 7.286 7.286 7.239 0.047 18953 5461 1 6 . 1 1 120 120 SER N N 120 111.310 111.310 118.683 -7.373 18953 5462 1 6 . 1 1 120 120 SER HA H 120 4.682 4.682 4.954 -0.272 18953 5463 1 6 . 1 1 120 120 SER C C 120 179.047 179.047 172.622 6.425 18953 5464 1 6 . 1 1 120 120 SER CA C 120 57.435 57.435 57.340 0.095 18953 5465 1 6 . 1 1 120 120 SER CB C 120 65.594 65.594 64.146 1.448 18953 5466 1 6 . 1 1 120 120 SER H H 120 8.361 8.361 8.429 -0.068 18953 5467 1 6 . 1 1 121 121 ASP N N 121 120.422 120.422 120.801 -0.379 18953 5468 1 6 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.513 -0.431 18953 5469 1 6 . 1 1 121 121 ASP C C 121 177.532 177.532 174.965 2.567 18953 5470 1 6 . 1 1 121 121 ASP CA C 121 53.630 53.630 52.897 0.733 18953 5471 1 6 . 1 1 121 121 ASP CB C 121 43.513 43.513 41.284 2.229 18953 5472 1 6 . 1 1 121 121 ASP H H 121 6.829 6.829 7.338 -0.509 18953 5473 1 6 . 1 1 122 122 PHE N N 122 120.611 120.611 121.178 -0.567 18953 5474 1 6 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.843 -0.148 18953 5475 1 6 . 1 1 122 122 PHE C C 122 177.316 177.316 175.323 1.993 18953 5476 1 6 . 1 1 122 122 PHE CA C 122 57.660 57.660 56.242 1.418 18953 5477 1 6 . 1 1 122 122 PHE CB C 122 40.871 40.871 40.685 0.186 18953 5478 1 6 . 1 1 122 122 PHE H H 122 8.376 8.376 8.285 0.091 18953 5479 1 6 . 1 1 123 123 HIS N N 123 116.193 116.193 118.423 -2.230 18953 5480 1 6 . 1 1 123 123 HIS HA H 123 4.765 4.765 4.846 -0.081 18953 5481 1 6 . 1 1 123 123 HIS C C 123 176.431 176.431 175.025 1.406 18953 5482 1 6 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.299 1.305 18953 5483 1 6 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.798 1.482 18953 5484 1 6 . 1 1 123 123 HIS H H 123 7.577 7.577 8.623 -1.046 18953 5485 1 6 . 1 1 124 124 SER N N 124 107.332 107.332 112.866 -5.534 18953 5486 1 6 . 1 1 124 124 SER HA H 124 4.698 4.698 5.099 -0.401 18953 5487 1 6 . 1 1 124 124 SER C C 124 178.179 178.179 172.546 5.633 18953 5488 1 6 . 1 1 124 124 SER CA C 124 59.556 59.556 57.951 1.605 18953 5489 1 6 . 1 1 124 124 SER CB C 124 65.667 65.667 65.155 0.512 18953 5490 1 6 . 1 1 124 124 SER H H 124 8.256 8.256 8.367 -0.111 18953 5491 1 6 . 1 1 125 125 CYS N N 125 113.874 113.874 122.118 -8.244 18953 5492 1 6 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.568 -0.017 18953 5493 1 6 . 1 1 125 125 CYS C C 125 179.655 179.655 172.555 7.100 18953 5494 1 6 . 1 1 125 125 CYS CA C 125 57.871 57.871 57.867 0.004 18953 5495 1 6 . 1 1 125 125 CYS CB C 125 30.586 30.586 31.062 -0.476 18953 5496 1 6 . 1 1 125 125 CYS H H 125 9.561 9.561 8.788 0.773 18953 5497 1 6 . 1 1 126 126 HIS N N 126 124.829 124.829 121.819 3.010 18953 5498 1 6 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.230 0.251 18953 5499 1 6 . 1 1 126 126 HIS C C 126 176.575 176.575 173.041 3.534 18953 5500 1 6 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.594 -2.287 18953 5501 1 6 . 1 1 126 126 HIS CB C 126 35.123 35.123 34.018 1.105 18953 5502 1 6 . 1 1 126 126 HIS H H 126 9.858 9.858 9.066 0.792 18953 5503 1 6 . 1 1 127 127 VAL N N 127 128.620 128.620 124.299 4.321 18953 5504 1 6 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.410 -0.536 18953 5505 1 6 . 1 1 127 127 VAL C C 127 176.660 176.660 174.502 2.158 18953 5506 1 6 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.648 1.837 18953 5507 1 6 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.601 -2.602 18953 5508 1 6 . 1 1 127 127 VAL H H 127 9.408 9.408 7.897 1.511 18953 5509 1 6 . 1 1 128 128 MET N N 128 129.466 129.466 127.415 2.051 18953 5510 1 6 . 1 1 128 128 MET HA H 128 3.930 3.930 4.713 -0.783 18953 5511 1 6 . 1 1 128 128 MET C C 128 176.093 176.093 175.686 0.407 18953 5512 1 6 . 1 1 128 128 MET CA C 128 58.109 58.109 57.857 0.252 18953 5513 1 6 . 1 1 128 128 MET CB C 128 34.019 34.019 34.235 -0.216 18953 5514 1 6 . 1 1 128 128 MET H H 128 7.906 7.906 8.560 -0.654 18953 5515 1 6 . 1 1 129 129 ASP N N 129 116.435 116.435 115.009 1.426 18953 5516 1 6 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.601 0.231 18953 5517 1 6 . 1 1 129 129 ASP C C 129 174.959 174.959 174.411 0.548 18953 5518 1 6 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.043 0.137 18953 5519 1 6 . 1 1 129 129 ASP CB C 129 45.131 45.131 43.234 1.897 18953 5520 1 6 . 1 1 129 129 ASP H H 129 8.349 8.349 7.471 0.878 18953 5521 1 6 . 1 1 130 130 GLY N N 130 113.062 113.062 108.283 4.779 18953 5522 1 6 . 1 1 130 130 GLY C C 130 183.642 183.642 171.716 11.926 18953 5523 1 6 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.386 0.086 18953 5524 1 6 . 1 1 130 130 GLY H H 130 8.479 8.479 8.403 0.076 18953 5525 1 6 . 1 1 131 131 HIS N N 131 114.389 114.389 118.642 -4.253 18953 5526 1 6 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.751 0.251 18953 5527 1 6 . 1 1 131 131 HIS C C 131 176.470 176.470 173.278 3.192 18953 5528 1 6 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.379 0.939 18953 5529 1 6 . 1 1 131 131 HIS CB C 131 34.035 34.035 33.027 1.008 18953 5530 1 6 . 1 1 131 131 HIS H H 131 6.228 6.228 7.241 -1.013 18953 5531 1 6 . 1 1 132 132 TRP N N 132 122.333 122.333 121.554 0.779 18953 5532 1 6 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.170 -0.035 18953 5533 1 6 . 1 1 132 132 TRP C C 132 177.557 177.557 174.634 2.923 18953 5534 1 6 . 1 1 132 132 TRP CA C 132 56.896 56.896 56.006 0.890 18953 5535 1 6 . 1 1 132 132 TRP CB C 132 33.795 33.795 32.352 1.443 18953 5536 1 6 . 1 1 132 132 TRP H H 132 8.838 8.838 8.803 0.035 18953 5537 1 6 . 1 1 133 133 LEU N N 133 121.883 121.883 122.865 -0.982 18953 5538 1 6 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.313 -0.191 18953 5539 1 6 . 1 1 133 133 LEU C C 133 176.457 176.457 176.117 0.340 18953 5540 1 6 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.029 -0.493 18953 5541 1 6 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.745 2.825 18953 5542 1 6 . 1 1 133 133 LEU H H 133 9.403 9.403 9.279 0.124 18953 5543 1 6 . 1 1 134 134 VAL N N 134 123.013 123.013 121.698 1.315 18953 5544 1 6 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.446 0.113 18953 5545 1 6 . 1 1 134 134 VAL C C 134 177.780 177.780 174.536 3.244 18953 5546 1 6 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.390 -0.441 18953 5547 1 6 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.721 -0.632 18953 5548 1 6 . 1 1 134 134 VAL H H 134 8.948 8.948 9.104 -0.156 18953 5549 1 6 . 1 1 135 135 TYR N N 135 122.405 122.405 124.914 -2.509 18953 5550 1 6 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.728 0.812 18953 5551 1 6 . 1 1 135 135 TYR C C 135 172.456 172.456 175.790 -3.334 18953 5552 1 6 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.890 -0.893 18953 5553 1 6 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.637 -0.892 18953 5554 1 6 . 1 1 135 135 TYR H H 135 9.068 9.068 9.443 -0.375 18953 5555 1 6 . 1 1 136 136 GLU N N 136 121.335 121.335 124.689 -3.354 18953 5556 1 6 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.332 -0.229 18953 5557 1 6 . 1 1 136 136 GLU C C 136 176.022 176.022 176.700 -0.678 18953 5558 1 6 . 1 1 136 136 GLU CA C 136 59.896 59.896 59.105 0.791 18953 5559 1 6 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.518 2.409 18953 5560 1 6 . 1 1 136 136 GLU H H 136 9.360 9.360 8.258 1.102 18953 5561 1 6 . 1 1 137 137 GLN N N 137 111.530 111.530 116.214 -4.684 18953 5562 1 6 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.787 0.180 18953 5563 1 6 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.690 0.143 18953 5564 1 6 . 1 1 137 137 GLN CB C 137 29.142 29.142 31.360 -2.218 18953 5565 1 6 . 1 1 137 137 GLN H H 137 7.808 7.808 8.127 -0.319 18953 5566 1 6 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.286 -0.144 18953 5567 1 6 . 1 1 138 138 PRO C C 138 176.607 176.607 176.962 -0.355 18953 5568 1 6 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.425 -0.964 18953 5569 1 6 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.370 0.823 18953 5570 1 6 . 1 1 139 139 ASN N N 139 113.240 113.240 115.528 -2.288 18953 5571 1 6 . 1 1 139 139 ASN HA H 139 3.356 3.356 3.729 -0.373 18953 5572 1 6 . 1 1 139 139 ASN C C 139 177.996 177.996 173.557 4.439 18953 5573 1 6 . 1 1 139 139 ASN CA C 139 54.247 54.247 53.880 0.367 18953 5574 1 6 . 1 1 139 139 ASN CB C 139 36.635 36.635 37.031 -0.396 18953 5575 1 6 . 1 1 139 139 ASN H H 139 9.683 9.683 8.247 1.436 18953 5576 1 6 . 1 1 140 140 TYR N N 140 113.289 113.289 109.579 3.710 18953 5577 1 6 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.207 -0.447 18953 5578 1 6 . 1 1 140 140 TYR C C 140 176.488 176.488 174.146 2.342 18953 5579 1 6 . 1 1 140 140 TYR CA C 140 55.296 55.296 57.683 -2.387 18953 5580 1 6 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.743 -0.783 18953 5581 1 6 . 1 1 140 140 TYR H H 140 8.000 8.000 7.728 0.272 18953 5582 1 6 . 1 1 141 141 THR N N 141 108.766 108.766 113.552 -4.786 18953 5583 1 6 . 1 1 141 141 THR HA H 141 4.697 4.697 4.714 -0.017 18953 5584 1 6 . 1 1 141 141 THR C C 141 178.578 178.578 173.910 4.668 18953 5585 1 6 . 1 1 141 141 THR CA C 141 60.128 60.128 61.632 -1.504 18953 5586 1 6 . 1 1 141 141 THR CB C 141 72.848 72.848 71.941 0.907 18953 5587 1 6 . 1 1 141 141 THR H H 141 6.280 6.280 7.668 -1.388 18953 5588 1 6 . 1 1 142 142 GLY N N 142 106.121 106.121 108.365 -2.244 18953 5589 1 6 . 1 1 142 142 GLY C C 142 177.117 177.117 173.244 3.873 18953 5590 1 6 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.700 -0.533 18953 5591 1 6 . 1 1 142 142 GLY H H 142 8.285 8.285 8.293 -0.008 18953 5592 1 6 . 1 1 143 143 ARG N N 143 120.212 120.212 122.005 -1.793 18953 5593 1 6 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.938 -0.002 18953 5594 1 6 . 1 1 143 143 ARG C C 143 177.580 177.580 175.855 1.725 18953 5595 1 6 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.769 1.351 18953 5596 1 6 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.761 1.395 18953 5597 1 6 . 1 1 143 143 ARG H H 143 8.583 8.583 8.328 0.255 18953 5598 1 6 . 1 1 144 144 GLN N N 144 119.516 119.516 121.637 -2.121 18953 5599 1 6 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.621 0.270 18953 5600 1 6 . 1 1 144 144 GLN C C 144 176.985 176.985 174.345 2.640 18953 5601 1 6 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.131 -0.809 18953 5602 1 6 . 1 1 144 144 GLN CB C 144 32.645 32.645 30.074 2.571 18953 5603 1 6 . 1 1 144 144 GLN H H 144 7.552 7.552 7.854 -0.302 18953 5604 1 6 . 1 1 145 145 PHE N N 145 114.745 114.745 119.540 -4.795 18953 5605 1 6 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.948 -0.291 18953 5606 1 6 . 1 1 145 145 PHE C C 145 176.969 176.969 174.839 2.130 18953 5607 1 6 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.208 -0.302 18953 5608 1 6 . 1 1 145 145 PHE CB C 145 42.267 42.267 43.103 -0.836 18953 5609 1 6 . 1 1 145 145 PHE H H 145 8.696 8.696 8.559 0.137 18953 5610 1 6 . 1 1 146 146 TYR N N 146 124.271 124.271 125.389 -1.118 18953 5611 1 6 . 1 1 146 146 TYR HA H 146 5.274 5.274 5.057 0.217 18953 5612 1 6 . 1 1 146 146 TYR C C 146 176.212 176.212 174.136 2.076 18953 5613 1 6 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.201 -1.461 18953 5614 1 6 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.703 -0.468 18953 5615 1 6 . 1 1 146 146 TYR H H 146 8.915 8.915 8.958 -0.043 18953 5616 1 6 . 1 1 147 147 LEU N N 147 103.207 103.207 129.371 -26.164 18953 5617 1 6 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.522 -0.131 18953 5618 1 6 . 1 1 147 147 LEU C C 147 178.198 178.198 175.209 2.989 18953 5619 1 6 . 1 1 147 147 LEU CA C 147 54.969 54.969 53.873 1.096 18953 5620 1 6 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.821 1.324 18953 5621 1 6 . 1 1 147 147 LEU H H 147 9.229 9.229 8.871 0.358 18953 5622 1 6 . 1 1 148 148 ARG N N 148 120.815 120.815 124.170 -3.355 18953 5623 1 6 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.746 -0.167 18953 5624 1 6 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.893 0.101 18953 5625 1 6 . 1 1 148 148 ARG CB C 148 29.256 29.256 30.438 -1.182 18953 5626 1 6 . 1 1 148 148 ARG H H 148 6.955 6.955 8.960 -2.005 18953 5627 1 6 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.184 0.002 18953 5628 1 6 . 1 1 149 149 PRO C C 149 175.154 175.154 176.380 -1.226 18953 5629 1 6 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.442 1.413 18953 5630 1 6 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.875 -0.238 18953 5631 1 6 . 1 1 150 150 GLY N N 150 111.695 111.695 106.705 4.990 18953 5632 1 6 . 1 1 150 150 GLY C C 150 179.740 179.740 171.363 8.377 18953 5633 1 6 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.258 0.355 18953 5634 1 6 . 1 1 150 150 GLY H H 150 8.965 8.965 7.486 1.479 18953 5635 1 6 . 1 1 151 151 GLU N N 151 118.822 118.822 119.705 -0.883 18953 5636 1 6 . 1 1 151 151 GLU HA H 151 4.323 4.323 5.091 -0.768 18953 5637 1 6 . 1 1 151 151 GLU C C 151 176.078 176.078 174.773 1.305 18953 5638 1 6 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.123 1.430 18953 5639 1 6 . 1 1 151 151 GLU CB C 151 31.878 31.878 32.526 -0.648 18953 5640 1 6 . 1 1 151 151 GLU H H 151 8.403 8.403 8.221 0.182 18953 5641 1 6 . 1 1 152 152 TYR N N 152 123.055 123.055 122.343 0.712 18953 5642 1 6 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.851 -0.111 18953 5643 1 6 . 1 1 152 152 TYR C C 152 176.413 176.413 175.692 0.721 18953 5644 1 6 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.525 -0.555 18953 5645 1 6 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.975 -3.201 18953 5646 1 6 . 1 1 152 152 TYR H H 152 8.859 8.859 9.373 -0.514 18953 5647 1 6 . 1 1 153 153 ARG N N 153 124.271 124.271 117.483 6.788 18953 5648 1 6 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.645 -0.629 18953 5649 1 6 . 1 1 153 153 ARG C C 153 176.727 176.727 175.592 1.135 18953 5650 1 6 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.472 4.732 18953 5651 1 6 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.561 -2.221 18953 5652 1 6 . 1 1 153 153 ARG H H 153 8.882 8.882 9.147 -0.265 18953 5653 1 6 . 1 1 154 154 SER N N 154 111.500 111.500 113.654 -2.154 18953 5654 1 6 . 1 1 154 154 SER HA H 154 5.194 5.194 4.509 0.685 18953 5655 1 6 . 1 1 154 154 SER C C 154 176.379 176.379 172.967 3.412 18953 5656 1 6 . 1 1 154 154 SER CA C 154 56.894 56.894 56.387 0.507 18953 5657 1 6 . 1 1 154 154 SER CB C 154 66.352 66.352 64.421 1.931 18953 5658 1 6 . 1 1 154 154 SER H H 154 8.070 8.070 7.969 0.101 18953 5659 1 6 . 1 1 155 155 TYR N N 155 119.386 119.386 121.381 -1.995 18953 5660 1 6 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.360 -2.197 18953 5661 1 6 . 1 1 155 155 TYR C C 155 174.639 174.639 176.320 -1.681 18953 5662 1 6 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.069 -1.700 18953 5663 1 6 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.346 1.053 18953 5664 1 6 . 1 1 155 155 TYR H H 155 7.638 7.638 7.217 0.421 18953 5665 1 6 . 1 1 156 156 ASN N N 156 119.038 119.038 114.047 4.991 18953 5666 1 6 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.560 -0.440 18953 5667 1 6 . 1 1 156 156 ASN C C 156 172.889 172.889 175.149 -2.260 18953 5668 1 6 . 1 1 156 156 ASN CA C 156 55.596 55.596 54.291 1.305 18953 5669 1 6 . 1 1 156 156 ASN CB C 156 38.621 38.621 38.389 0.232 18953 5670 1 6 . 1 1 156 156 ASN H H 156 6.819 6.819 7.836 -1.017 18953 5671 1 6 . 1 1 157 157 ASP N N 157 118.338 118.338 121.084 -2.746 18953 5672 1 6 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.500 0.081 18953 5673 1 6 . 1 1 157 157 ASP C C 157 173.908 173.908 176.970 -3.062 18953 5674 1 6 . 1 1 157 157 ASP CA C 157 57.382 57.382 57.083 0.299 18953 5675 1 6 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.727 -0.100 18953 5676 1 6 . 1 1 157 157 ASP H H 157 7.791 7.791 7.613 0.178 18953 5677 1 6 . 1 1 158 158 TRP N N 158 114.610 114.610 119.518 -4.908 18953 5678 1 6 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.927 0.407 18953 5679 1 6 . 1 1 158 158 TRP C C 158 175.711 175.711 176.327 -0.616 18953 5680 1 6 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.256 0.813 18953 5681 1 6 . 1 1 158 158 TRP CB C 158 28.119 28.119 29.176 -1.057 18953 5682 1 6 . 1 1 158 158 TRP H H 158 7.000 7.000 6.745 0.255 18953 5683 1 6 . 1 1 159 159 GLY N N 159 108.647 108.647 108.544 0.103 18953 5684 1 6 . 1 1 159 159 GLY C C 159 175.991 175.991 174.262 1.729 18953 5685 1 6 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.287 0.445 18953 5686 1 6 . 1 1 159 159 GLY H H 159 7.588 7.588 7.869 -0.281 18953 5687 1 6 . 1 1 160 160 GLY N N 160 107.348 107.348 105.803 1.545 18953 5688 1 6 . 1 1 160 160 GLY C C 160 178.604 178.604 172.812 5.792 18953 5689 1 6 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.802 1.554 18953 5690 1 6 . 1 1 160 160 GLY H H 160 7.326 7.326 7.632 -0.306 18953 5691 1 6 . 1 1 161 161 VAL N N 161 118.047 118.047 115.941 2.106 18953 5692 1 6 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.108 0.144 18953 5693 1 6 . 1 1 161 161 VAL C C 161 175.118 175.118 175.601 -0.483 18953 5694 1 6 . 1 1 161 161 VAL CA C 161 63.303 63.303 63.507 -0.204 18953 5695 1 6 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.612 -0.777 18953 5696 1 6 . 1 1 161 161 VAL H H 161 8.697 8.697 8.525 0.172 18953 5697 1 6 . 1 1 162 162 THR N N 162 111.630 111.630 109.882 1.748 18953 5698 1 6 . 1 1 162 162 THR HA H 162 3.659 3.659 4.431 -0.772 18953 5699 1 6 . 1 1 162 162 THR C C 162 179.191 179.191 174.518 4.673 18953 5700 1 6 . 1 1 162 162 THR CA C 162 59.431 59.431 60.434 -1.003 18953 5701 1 6 . 1 1 162 162 THR CB C 162 71.935 71.935 71.725 0.210 18953 5702 1 6 . 1 1 162 162 THR H H 162 7.864 7.864 7.622 0.242 18953 5703 1 6 . 1 1 163 163 SER N N 163 112.275 112.275 113.391 -1.116 18953 5704 1 6 . 1 1 163 163 SER HA H 163 4.018 4.018 4.800 -0.782 18953 5705 1 6 . 1 1 163 163 SER C C 163 178.307 178.307 174.415 3.892 18953 5706 1 6 . 1 1 163 163 SER CA C 163 57.968 57.968 58.129 -0.161 18953 5707 1 6 . 1 1 163 163 SER CB C 163 63.093 63.093 64.739 -1.646 18953 5708 1 6 . 1 1 163 163 SER H H 163 7.502 7.502 8.679 -1.177 18953 5709 1 6 . 1 1 164 164 ARG N N 164 122.770 122.770 125.421 -2.651 18953 5710 1 6 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.795 -0.370 18953 5711 1 6 . 1 1 164 164 ARG C C 164 175.003 175.003 174.920 0.083 18953 5712 1 6 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.399 0.738 18953 5713 1 6 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.800 1.653 18953 5714 1 6 . 1 1 164 164 ARG H H 164 7.578 7.578 7.659 -0.081 18953 5715 1 6 . 1 1 165 165 MET N N 165 122.454 122.454 123.137 -0.683 18953 5716 1 6 . 1 1 165 165 MET HA H 165 4.620 4.620 4.955 -0.335 18953 5717 1 6 . 1 1 165 165 MET C C 165 177.244 177.244 176.711 0.533 18953 5718 1 6 . 1 1 165 165 MET CA C 165 56.192 56.192 55.608 0.584 18953 5719 1 6 . 1 1 165 165 MET CB C 165 37.269 37.269 33.724 3.545 18953 5720 1 6 . 1 1 165 165 MET H H 165 8.480 8.480 8.774 -0.294 18953 5721 1 6 . 1 1 166 166 GLY N N 166 107.987 107.987 112.453 -4.466 18953 5722 1 6 . 1 1 166 166 GLY C C 166 177.648 177.648 173.622 4.026 18953 5723 1 6 . 1 1 166 166 GLY CA C 166 45.692 45.692 45.043 0.649 18953 5724 1 6 . 1 1 166 166 GLY H H 166 9.046 9.046 8.837 0.209 18953 5725 1 6 . 1 1 167 167 SER N N 167 113.024 113.024 116.325 -3.301 18953 5726 1 6 . 1 1 167 167 SER HA H 167 4.562 4.562 5.771 -1.209 18953 5727 1 6 . 1 1 167 167 SER C C 167 179.104 179.104 172.703 6.401 18953 5728 1 6 . 1 1 167 167 SER CA C 167 58.729 58.729 57.242 1.486 18953 5729 1 6 . 1 1 167 167 SER CB C 167 64.816 64.816 66.575 -1.759 18953 5730 1 6 . 1 1 167 167 SER H H 167 8.257 8.257 7.918 0.339 18953 5731 1 6 . 1 1 168 168 ILE N N 168 118.927 118.927 121.062 -2.135 18953 5732 1 6 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.085 0.423 18953 5733 1 6 . 1 1 168 168 ILE C C 168 177.783 177.783 174.109 3.674 18953 5734 1 6 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.738 0.423 18953 5735 1 6 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.123 1.087 18953 5736 1 6 . 1 1 168 168 ILE H H 168 8.922 8.922 9.279 -0.357 18953 5737 1 6 . 1 1 169 169 ARG N N 169 124.820 124.820 124.664 0.156 18953 5738 1 6 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.779 0.266 18953 5739 1 6 . 1 1 169 169 ARG C C 169 177.350 177.350 174.019 3.331 18953 5740 1 6 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.246 -0.061 18953 5741 1 6 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.518 0.473 18953 5742 1 6 . 1 1 169 169 ARG H H 169 9.757 9.757 9.179 0.578 18953 5743 1 6 . 1 1 170 170 ARG N N 170 122.951 122.951 124.873 -1.922 18953 5744 1 6 . 1 1 170 170 ARG HA H 170 3.265 3.265 4.245 -0.980 18953 5745 1 6 . 1 1 170 170 ARG C C 170 174.373 174.373 175.112 -0.739 18953 5746 1 6 . 1 1 170 170 ARG CA C 170 55.170 55.170 53.418 1.752 18953 5747 1 6 . 1 1 170 170 ARG CB C 170 30.150 30.150 28.744 1.406 18953 5748 1 6 . 1 1 170 170 ARG H H 170 8.552 8.552 8.481 0.071 18953 5749 1 6 . 1 1 171 171 ILE N N 171 123.280 123.280 123.645 -0.365 18953 5750 1 6 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.628 0.174 18953 5751 1 6 . 1 1 171 171 ILE C C 171 177.088 177.088 175.955 1.133 18953 5752 1 6 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.381 0.180 18953 5753 1 6 . 1 1 171 171 ILE CB C 171 36.326 36.326 37.256 -0.930 18953 5754 1 6 . 1 1 171 171 ILE H H 171 8.424 8.424 8.167 0.257 18953 5755 1 6 . 1 1 172 172 THR N N 172 117.270 117.270 122.644 -5.374 18953 5756 1 6 . 1 1 172 172 THR HA H 172 4.558 4.558 4.068 0.490 18953 5757 1 6 . 1 1 172 172 THR C C 172 177.651 177.651 173.187 4.464 18953 5758 1 6 . 1 1 172 172 THR CA C 172 60.095 60.095 61.611 -1.516 18953 5759 1 6 . 1 1 172 172 THR CB C 172 70.040 70.040 68.185 1.855 18953 5760 1 6 . 1 1 172 172 THR H H 172 7.299 7.299 8.116 -0.817 18953 5761 1 6 . 1 1 173 173 ASP N N 173 121.598 121.598 124.405 -2.807 18953 5762 1 6 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.684 -0.239 18953 5763 1 6 . 1 1 173 173 ASP C C 173 177.041 177.041 176.291 0.750 18953 5764 1 6 . 1 1 173 173 ASP CA C 173 55.010 55.010 54.080 0.930 18953 5765 1 6 . 1 1 173 173 ASP CB C 173 41.524 41.524 41.560 -0.036 18953 5766 1 6 . 1 1 173 173 ASP H H 173 8.477 8.477 7.983 0.494 18953 5767 1 7 . 1 1 2 2 GLY C C 2 182.782 182.782 173.195 9.587 18953 5768 1 7 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.041 -1.494 18953 5769 1 7 . 1 1 3 3 LYS N N 3 120.153 120.153 119.175 0.978 18953 5770 1 7 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.491 0.524 18953 5771 1 7 . 1 1 3 3 LYS C C 3 179.140 179.140 174.631 4.509 18953 5772 1 7 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.392 1.918 18953 5773 1 7 . 1 1 3 3 LYS CB C 3 35.698 35.698 36.562 -0.863 18953 5774 1 7 . 1 1 3 3 LYS H H 3 8.398 8.398 7.691 0.707 18953 5775 1 7 . 1 1 4 4 ILE N N 4 129.769 129.769 123.147 6.622 18953 5776 1 7 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.635 -0.029 18953 5777 1 7 . 1 1 4 4 ILE C C 4 180.618 180.618 174.472 6.146 18953 5778 1 7 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.817 -0.417 18953 5779 1 7 . 1 1 4 4 ILE CB C 4 41.019 41.019 38.909 2.110 18953 5780 1 7 . 1 1 4 4 ILE H H 4 8.871 8.871 8.454 0.417 18953 5781 1 7 . 1 1 5 5 ILE N N 5 125.103 125.103 127.271 -2.168 18953 5782 1 7 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.817 -0.309 18953 5783 1 7 . 1 1 5 5 ILE C C 5 177.516 177.516 175.164 2.352 18953 5784 1 7 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.842 0.987 18953 5785 1 7 . 1 1 5 5 ILE CB C 5 40.417 40.417 39.618 0.799 18953 5786 1 7 . 1 1 5 5 ILE H H 5 8.788 8.788 8.797 -0.009 18953 5787 1 7 . 1 1 6 6 PHE N N 6 125.558 125.558 126.902 -1.344 18953 5788 1 7 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.764 -0.141 18953 5789 1 7 . 1 1 6 6 PHE C C 6 176.512 176.512 174.693 1.819 18953 5790 1 7 . 1 1 6 6 PHE CA C 6 57.219 57.219 56.973 0.246 18953 5791 1 7 . 1 1 6 6 PHE CB C 6 41.483 41.483 40.216 1.267 18953 5792 1 7 . 1 1 6 6 PHE H H 6 8.540 8.540 9.186 -0.646 18953 5793 1 7 . 1 1 7 7 TYR N N 7 120.647 120.647 122.359 -1.712 18953 5794 1 7 . 1 1 7 7 TYR HA H 7 5.171 5.171 4.980 0.191 18953 5795 1 7 . 1 1 7 7 TYR C C 7 173.898 173.898 176.042 -2.144 18953 5796 1 7 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.278 0.168 18953 5797 1 7 . 1 1 7 7 TYR CB C 7 39.310 39.310 40.787 -1.477 18953 5798 1 7 . 1 1 7 7 TYR H H 7 8.889 8.889 9.298 -0.409 18953 5799 1 7 . 1 1 8 8 GLU N N 8 122.007 122.007 124.276 -2.269 18953 5800 1 7 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.153 0.028 18953 5801 1 7 . 1 1 8 8 GLU C C 8 174.881 174.881 177.038 -2.157 18953 5802 1 7 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.875 1.191 18953 5803 1 7 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.454 1.598 18953 5804 1 7 . 1 1 8 8 GLU H H 8 8.756 8.756 8.488 0.268 18953 5805 1 7 . 1 1 9 9 ASP N N 9 114.203 114.203 119.142 -4.939 18953 5806 1 7 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.510 0.712 18953 5807 1 7 . 1 1 9 9 ASP CA C 9 52.366 52.366 53.652 -1.286 18953 5808 1 7 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.236 1.200 18953 5809 1 7 . 1 1 9 9 ASP H H 9 7.977 7.977 8.252 -0.275 18953 5810 1 7 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.641 -1.522 18953 5811 1 7 . 1 1 11 11 ASN CA C 11 56.660 56.660 53.153 3.507 18953 5812 1 7 . 1 1 11 11 ASN CB C 11 35.050 35.050 37.767 -2.717 18953 5813 1 7 . 1 1 13 13 GLY C C 13 178.281 178.281 173.161 5.120 18953 5814 1 7 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.612 -0.166 18953 5815 1 7 . 1 1 14 14 GLY N N 14 105.348 105.348 108.101 -2.753 18953 5816 1 7 . 1 1 14 14 GLY C C 14 176.463 176.463 174.192 2.271 18953 5817 1 7 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.162 -0.051 18953 5818 1 7 . 1 1 14 14 GLY H H 14 8.261 8.261 8.227 0.034 18953 5819 1 7 . 1 1 15 15 ARG N N 15 119.637 119.637 125.255 -5.618 18953 5820 1 7 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.401 -0.190 18953 5821 1 7 . 1 1 15 15 ARG C C 15 176.574 176.574 176.150 0.424 18953 5822 1 7 . 1 1 15 15 ARG CA C 15 57.332 57.332 55.781 1.551 18953 5823 1 7 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.699 0.713 18953 5824 1 7 . 1 1 15 15 ARG H H 15 8.579 8.579 8.227 0.352 18953 5825 1 7 . 1 1 16 16 TYR N N 16 114.846 114.846 124.432 -9.586 18953 5826 1 7 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.392 0.466 18953 5827 1 7 . 1 1 16 16 TYR C C 16 176.510 176.510 175.025 1.485 18953 5828 1 7 . 1 1 16 16 TYR CA C 16 54.613 54.613 55.094 -0.482 18953 5829 1 7 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.086 2.332 18953 5830 1 7 . 1 1 16 16 TYR H H 16 7.617 7.617 7.754 -0.137 18953 5831 1 7 . 1 1 17 17 HIS N N 17 118.443 118.443 120.533 -2.090 18953 5832 1 7 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.856 -0.046 18953 5833 1 7 . 1 1 17 17 HIS C C 17 177.970 177.970 173.486 4.484 18953 5834 1 7 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.292 0.270 18953 5835 1 7 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.395 0.209 18953 5836 1 7 . 1 1 17 17 HIS H H 17 8.785 8.785 8.809 -0.024 18953 5837 1 7 . 1 1 18 18 GLU N N 18 126.223 126.223 127.057 -0.834 18953 5838 1 7 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.731 0.107 18953 5839 1 7 . 1 1 18 18 GLU C C 18 176.504 176.504 175.180 1.324 18953 5840 1 7 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.854 -0.755 18953 5841 1 7 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.282 1.840 18953 5842 1 7 . 1 1 18 18 GLU H H 18 8.529 8.529 8.435 0.094 18953 5843 1 7 . 1 1 19 19 CYS N N 19 121.383 121.383 124.318 -2.935 18953 5844 1 7 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.632 0.025 18953 5845 1 7 . 1 1 19 19 CYS C C 19 178.018 178.018 174.406 3.612 18953 5846 1 7 . 1 1 19 19 CYS CA C 19 58.777 58.777 57.681 1.096 18953 5847 1 7 . 1 1 19 19 CYS CB C 19 29.812 29.812 29.906 -0.094 18953 5848 1 7 . 1 1 19 19 CYS H H 19 9.163 9.163 9.097 0.066 18953 5849 1 7 . 1 1 20 20 MET N N 20 126.877 126.877 118.882 7.995 18953 5850 1 7 . 1 1 20 20 MET HA H 20 5.295 5.295 4.600 0.695 18953 5851 1 7 . 1 1 20 20 MET C C 20 176.776 176.776 174.557 2.219 18953 5852 1 7 . 1 1 20 20 MET CA C 20 55.260 55.260 55.393 -0.133 18953 5853 1 7 . 1 1 20 20 MET CB C 20 33.370 33.370 33.834 -0.464 18953 5854 1 7 . 1 1 20 20 MET H H 20 8.995 8.995 8.508 0.487 18953 5855 1 7 . 1 1 21 21 SER N N 21 179.042 179.042 115.326 63.716 18953 5856 1 7 . 1 1 21 21 SER HA H 21 4.658 4.658 4.716 -0.058 18953 5857 1 7 . 1 1 21 21 SER C C 21 179.042 179.042 173.693 5.349 18953 5858 1 7 . 1 1 21 21 SER CA C 21 57.586 57.586 57.447 0.140 18953 5859 1 7 . 1 1 21 21 SER CB C 21 65.782 65.782 65.016 0.765 18953 5860 1 7 . 1 1 21 21 SER H H 21 7.990 7.990 7.614 0.376 18953 5861 1 7 . 1 1 22 22 ASP N N 22 117.203 117.203 123.058 -5.855 18953 5862 1 7 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.586 0.365 18953 5863 1 7 . 1 1 22 22 ASP C C 22 173.564 173.564 175.377 -1.813 18953 5864 1 7 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.943 0.528 18953 5865 1 7 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.636 1.183 18953 5866 1 7 . 1 1 22 22 ASP H H 22 8.317 8.317 8.621 -0.304 18953 5867 1 7 . 1 1 23 23 CYS N N 23 121.308 121.308 121.426 -0.118 18953 5868 1 7 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.700 0.091 18953 5869 1 7 . 1 1 23 23 CYS C C 23 177.265 177.265 174.354 2.911 18953 5870 1 7 . 1 1 23 23 CYS CA C 23 59.963 59.963 58.060 1.903 18953 5871 1 7 . 1 1 23 23 CYS CB C 23 29.412 29.412 29.945 -0.533 18953 5872 1 7 . 1 1 23 23 CYS H H 23 9.410 9.410 8.911 0.499 18953 5873 1 7 . 1 1 24 24 ALA N N 24 131.693 131.693 129.787 1.906 18953 5874 1 7 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.696 -0.174 18953 5875 1 7 . 1 1 24 24 ALA C C 24 175.455 175.455 175.851 -0.396 18953 5876 1 7 . 1 1 24 24 ALA CA C 24 54.614 54.614 53.408 1.206 18953 5877 1 7 . 1 1 24 24 ALA CB C 24 19.175 19.175 18.904 0.271 18953 5878 1 7 . 1 1 24 24 ALA H H 24 9.210 9.210 8.567 0.643 18953 5879 1 7 . 1 1 25 25 ASP N N 25 113.873 113.873 118.301 -4.428 18953 5880 1 7 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.868 0.027 18953 5881 1 7 . 1 1 25 25 ASP C C 25 174.970 174.970 175.523 -0.553 18953 5882 1 7 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.059 0.861 18953 5883 1 7 . 1 1 25 25 ASP CB C 25 40.564 40.564 41.366 -0.802 18953 5884 1 7 . 1 1 25 25 ASP H H 25 7.524 7.524 7.597 -0.073 18953 5885 1 7 . 1 1 26 26 LEU N N 26 127.166 127.166 126.064 1.102 18953 5886 1 7 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.387 -0.388 18953 5887 1 7 . 1 1 26 26 LEU C C 26 173.727 173.727 177.071 -3.344 18953 5888 1 7 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.654 1.497 18953 5889 1 7 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.629 -0.270 18953 5890 1 7 . 1 1 26 26 LEU H H 26 8.495 8.495 9.017 -0.522 18953 5891 1 7 . 1 1 27 27 HIS N N 27 118.732 118.732 119.712 -0.980 18953 5892 1 7 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.376 0.161 18953 5893 1 7 . 1 1 27 27 HIS C C 27 175.667 175.667 175.645 0.022 18953 5894 1 7 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.723 -1.930 18953 5895 1 7 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.553 -1.515 18953 5896 1 7 . 1 1 27 27 HIS H H 27 8.446 8.446 7.684 0.762 18953 5897 1 7 . 1 1 28 28 SER N N 28 112.598 112.598 113.419 -0.821 18953 5898 1 7 . 1 1 28 28 SER HA H 28 3.792 3.792 4.131 -0.339 18953 5899 1 7 . 1 1 28 28 SER C C 28 177.551 177.551 175.940 1.611 18953 5900 1 7 . 1 1 28 28 SER CA C 28 60.406 60.406 61.196 -0.790 18953 5901 1 7 . 1 1 28 28 SER CB C 28 62.814 62.814 62.717 0.097 18953 5902 1 7 . 1 1 28 28 SER H H 28 7.237 7.237 7.996 -0.759 18953 5903 1 7 . 1 1 29 29 TYR N N 29 118.301 118.301 119.009 -0.708 18953 5904 1 7 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.079 0.223 18953 5905 1 7 . 1 1 29 29 TYR C C 29 176.283 176.283 176.339 -0.056 18953 5906 1 7 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.630 -1.962 18953 5907 1 7 . 1 1 29 29 TYR CB C 29 39.471 39.471 38.893 0.578 18953 5908 1 7 . 1 1 29 29 TYR H H 29 7.224 7.224 7.622 -0.398 18953 5909 1 7 . 1 1 30 30 PHE N N 30 112.713 112.713 110.853 1.860 18953 5910 1 7 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.715 -0.033 18953 5911 1 7 . 1 1 30 30 PHE C C 30 177.785 177.785 174.408 3.377 18953 5912 1 7 . 1 1 30 30 PHE CA C 30 55.924 55.924 55.538 0.386 18953 5913 1 7 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.338 -0.594 18953 5914 1 7 . 1 1 30 30 PHE H H 30 7.173 7.173 7.735 -0.562 18953 5915 1 7 . 1 1 31 31 ASN N N 31 115.959 115.959 120.101 -4.142 18953 5916 1 7 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.340 0.370 18953 5917 1 7 . 1 1 31 31 ASN C C 31 176.537 176.537 174.386 2.151 18953 5918 1 7 . 1 1 31 31 ASN CA C 31 53.551 53.551 52.804 0.747 18953 5919 1 7 . 1 1 31 31 ASN CB C 31 40.056 40.056 38.888 1.169 18953 5920 1 7 . 1 1 31 31 ASN H H 31 8.918 8.918 8.633 0.285 18953 5921 1 7 . 1 1 32 32 ARG N N 32 117.693 117.693 117.894 -0.201 18953 5922 1 7 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.545 0.082 18953 5923 1 7 . 1 1 32 32 ARG C C 32 178.177 178.177 173.574 4.603 18953 5924 1 7 . 1 1 32 32 ARG CA C 32 55.156 55.156 56.334 -1.178 18953 5925 1 7 . 1 1 32 32 ARG CB C 32 33.091 33.091 32.868 0.223 18953 5926 1 7 . 1 1 32 32 ARG H H 32 7.893 7.893 7.872 0.021 18953 5927 1 7 . 1 1 33 33 CYS N N 33 119.494 119.494 121.113 -1.619 18953 5928 1 7 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.840 0.112 18953 5929 1 7 . 1 1 33 33 CYS C C 33 176.223 176.223 174.244 1.979 18953 5930 1 7 . 1 1 33 33 CYS CA C 33 58.307 58.307 57.779 0.528 18953 5931 1 7 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.830 -1.079 18953 5932 1 7 . 1 1 33 33 CYS H H 33 8.161 8.161 8.789 -0.628 18953 5933 1 7 . 1 1 34 34 HIS N N 34 126.786 126.786 124.964 1.822 18953 5934 1 7 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.470 0.552 18953 5935 1 7 . 1 1 34 34 HIS C C 34 176.224 176.224 174.285 1.939 18953 5936 1 7 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.570 0.128 18953 5937 1 7 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.995 1.314 18953 5938 1 7 . 1 1 34 34 HIS H H 34 8.325 8.325 8.726 -0.401 18953 5939 1 7 . 1 1 35 35 SER N N 35 113.132 113.132 114.083 -0.951 18953 5940 1 7 . 1 1 35 35 SER HA H 35 5.264 5.264 5.087 0.177 18953 5941 1 7 . 1 1 35 35 SER C C 35 179.093 179.093 172.627 6.466 18953 5942 1 7 . 1 1 35 35 SER CA C 35 59.951 59.951 56.654 3.297 18953 5943 1 7 . 1 1 35 35 SER CB C 35 65.754 65.754 64.694 1.060 18953 5944 1 7 . 1 1 35 35 SER H H 35 8.489 8.489 7.987 0.502 18953 5945 1 7 . 1 1 36 36 ILE N N 36 119.607 119.607 124.240 -4.633 18953 5946 1 7 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.489 0.880 18953 5947 1 7 . 1 1 36 36 ILE C C 36 176.313 176.313 173.828 2.485 18953 5948 1 7 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.327 0.167 18953 5949 1 7 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.596 3.174 18953 5950 1 7 . 1 1 36 36 ILE H H 36 8.579 8.579 8.732 -0.153 18953 5951 1 7 . 1 1 37 37 ARG N N 37 126.328 126.328 125.653 0.675 18953 5952 1 7 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.892 0.067 18953 5953 1 7 . 1 1 37 37 ARG C C 37 176.785 176.785 174.347 2.438 18953 5954 1 7 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.126 0.988 18953 5955 1 7 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.544 0.790 18953 5956 1 7 . 1 1 37 37 ARG H H 37 9.342 9.342 8.812 0.530 18953 5957 1 7 . 1 1 38 38 VAL N N 38 125.466 125.466 128.687 -3.221 18953 5958 1 7 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.534 -0.210 18953 5959 1 7 . 1 1 38 38 VAL C C 38 175.196 175.196 175.955 -0.759 18953 5960 1 7 . 1 1 38 38 VAL CA C 38 62.436 62.436 62.065 0.371 18953 5961 1 7 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.352 -0.678 18953 5962 1 7 . 1 1 38 38 VAL H H 38 9.122 9.122 9.000 0.122 18953 5963 1 7 . 1 1 39 39 GLU N N 39 128.582 128.582 128.356 0.226 18953 5964 1 7 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.162 -0.078 18953 5965 1 7 . 1 1 39 39 GLU C C 39 175.200 175.200 175.976 -0.776 18953 5966 1 7 . 1 1 39 39 GLU CA C 39 58.498 58.498 58.897 -0.399 18953 5967 1 7 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.709 1.121 18953 5968 1 7 . 1 1 39 39 GLU H H 39 8.258 8.258 8.545 -0.287 18953 5969 1 7 . 1 1 40 40 SER N N 40 108.412 108.412 109.449 -1.037 18953 5970 1 7 . 1 1 40 40 SER HA H 40 4.343 4.343 4.453 -0.110 18953 5971 1 7 . 1 1 40 40 SER C C 40 178.000 178.000 172.945 5.055 18953 5972 1 7 . 1 1 40 40 SER CA C 40 57.623 57.623 58.360 -0.737 18953 5973 1 7 . 1 1 40 40 SER CB C 40 64.539 64.539 64.249 0.290 18953 5974 1 7 . 1 1 40 40 SER H H 40 7.753 7.753 7.353 0.400 18953 5975 1 7 . 1 1 41 41 GLY N N 41 109.451 109.451 111.449 -1.998 18953 5976 1 7 . 1 1 41 41 GLY C C 41 179.855 179.855 172.889 6.966 18953 5977 1 7 . 1 1 41 41 GLY CA C 41 44.884 44.884 44.767 0.117 18953 5978 1 7 . 1 1 41 41 GLY H H 41 8.714 8.714 8.370 0.344 18953 5979 1 7 . 1 1 42 42 CYS N N 42 112.295 112.295 116.815 -4.520 18953 5980 1 7 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.022 -0.088 18953 5981 1 7 . 1 1 42 42 CYS C C 42 178.663 178.663 173.368 5.295 18953 5982 1 7 . 1 1 42 42 CYS CA C 42 56.877 56.877 56.632 0.245 18953 5983 1 7 . 1 1 42 42 CYS CB C 42 31.679 31.679 31.131 0.548 18953 5984 1 7 . 1 1 42 42 CYS H H 42 7.794 7.794 8.510 -0.716 18953 5985 1 7 . 1 1 43 43 PHE N N 43 118.841 118.841 121.064 -2.223 18953 5986 1 7 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.727 0.397 18953 5987 1 7 . 1 1 43 43 PHE C C 43 178.045 178.045 172.840 5.205 18953 5988 1 7 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.105 -0.615 18953 5989 1 7 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.843 1.114 18953 5990 1 7 . 1 1 43 43 PHE H H 43 8.509 8.509 8.159 0.350 18953 5991 1 7 . 1 1 44 44 MET N N 44 119.494 119.494 125.608 -6.114 18953 5992 1 7 . 1 1 44 44 MET HA H 44 5.442 5.442 4.932 0.510 18953 5993 1 7 . 1 1 44 44 MET C C 44 174.336 174.336 173.858 0.478 18953 5994 1 7 . 1 1 44 44 MET CA C 44 52.992 52.992 52.889 0.103 18953 5995 1 7 . 1 1 44 44 MET CB C 44 33.835 33.835 35.405 -1.570 18953 5996 1 7 . 1 1 44 44 MET H H 44 9.110 9.110 8.012 1.098 18953 5997 1 7 . 1 1 45 45 VAL N N 45 117.666 117.666 122.210 -4.544 18953 5998 1 7 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.836 0.551 18953 5999 1 7 . 1 1 45 45 VAL C C 45 177.844 177.844 173.439 4.405 18953 6000 1 7 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.141 0.492 18953 6001 1 7 . 1 1 45 45 VAL CB C 45 34.280 34.280 34.089 0.191 18953 6002 1 7 . 1 1 45 45 VAL H H 45 9.345 9.345 8.666 0.679 18953 6003 1 7 . 1 1 46 46 TYR N N 46 117.876 117.876 122.864 -4.988 18953 6004 1 7 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.223 0.782 18953 6005 1 7 . 1 1 46 46 TYR C C 46 173.152 173.152 175.864 -2.712 18953 6006 1 7 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.165 -0.482 18953 6007 1 7 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.083 -1.058 18953 6008 1 7 . 1 1 46 46 TYR H H 46 8.145 8.145 9.242 -1.097 18953 6009 1 7 . 1 1 47 47 ASP N N 47 119.783 119.783 122.389 -2.606 18953 6010 1 7 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.713 0.172 18953 6011 1 7 . 1 1 47 47 ASP C C 47 176.040 176.040 175.637 0.403 18953 6012 1 7 . 1 1 47 47 ASP CA C 47 53.826 53.826 54.832 -1.006 18953 6013 1 7 . 1 1 47 47 ASP CB C 47 41.067 41.067 42.011 -0.944 18953 6014 1 7 . 1 1 47 47 ASP H H 47 8.690 8.690 8.730 -0.040 18953 6015 1 7 . 1 1 48 48 ARG N N 48 116.008 116.008 117.693 -1.685 18953 6016 1 7 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.659 0.079 18953 6017 1 7 . 1 1 48 48 ARG C C 48 175.495 175.495 175.216 0.279 18953 6018 1 7 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.442 -0.097 18953 6019 1 7 . 1 1 48 48 ARG CB C 48 34.662 34.662 33.414 1.248 18953 6020 1 7 . 1 1 48 48 ARG H H 48 7.627 7.627 8.078 -0.451 18953 6021 1 7 . 1 1 49 49 THR N N 49 110.526 110.526 115.247 -4.721 18953 6022 1 7 . 1 1 49 49 THR HA H 49 3.790 3.790 4.175 -0.385 18953 6023 1 7 . 1 1 49 49 THR C C 49 176.951 176.951 175.077 1.874 18953 6024 1 7 . 1 1 49 49 THR CA C 49 62.112 62.112 62.979 -0.867 18953 6025 1 7 . 1 1 49 49 THR CB C 49 70.189 70.189 68.979 1.210 18953 6026 1 7 . 1 1 49 49 THR H H 49 8.173 8.173 8.384 -0.211 18953 6027 1 7 . 1 1 50 50 ASN N N 50 112.515 112.515 121.206 -8.691 18953 6028 1 7 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.675 -0.426 18953 6029 1 7 . 1 1 50 50 ASN C C 50 178.172 178.172 173.288 4.884 18953 6030 1 7 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.840 0.537 18953 6031 1 7 . 1 1 50 50 ASN CB C 50 36.907 36.907 37.639 -0.732 18953 6032 1 7 . 1 1 50 50 ASN H H 50 9.654 9.654 8.020 1.634 18953 6033 1 7 . 1 1 51 51 PHE N N 51 110.557 110.557 110.898 -0.341 18953 6034 1 7 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.561 0.089 18953 6035 1 7 . 1 1 51 51 PHE C C 51 176.292 176.292 174.352 1.940 18953 6036 1 7 . 1 1 51 51 PHE CA C 51 55.668 55.668 58.163 -2.495 18953 6037 1 7 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.144 0.788 18953 6038 1 7 . 1 1 51 51 PHE H H 51 7.568 7.568 7.076 0.492 18953 6039 1 7 . 1 1 52 52 MET N N 52 117.547 117.547 116.445 1.102 18953 6040 1 7 . 1 1 52 52 MET HA H 52 4.859 4.859 4.950 -0.091 18953 6041 1 7 . 1 1 52 52 MET C C 52 177.399 177.399 175.321 2.078 18953 6042 1 7 . 1 1 52 52 MET CA C 52 53.946 53.946 55.190 -1.244 18953 6043 1 7 . 1 1 52 52 MET CB C 52 35.335 35.335 37.563 -2.228 18953 6044 1 7 . 1 1 52 52 MET H H 52 6.355 6.355 7.547 -1.192 18953 6045 1 7 . 1 1 53 53 GLY N N 53 103.445 103.445 107.295 -3.850 18953 6046 1 7 . 1 1 53 53 GLY C C 53 175.327 175.327 173.421 1.906 18953 6047 1 7 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.738 -0.155 18953 6048 1 7 . 1 1 53 53 GLY H H 53 8.256 8.256 8.521 -0.265 18953 6049 1 7 . 1 1 54 54 ARG N N 54 124.195 124.195 122.965 1.230 18953 6050 1 7 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.055 0.107 18953 6051 1 7 . 1 1 54 54 ARG C C 54 177.235 177.235 175.723 1.512 18953 6052 1 7 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.211 -0.011 18953 6053 1 7 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.369 0.846 18953 6054 1 7 . 1 1 54 54 ARG H H 54 9.034 9.034 8.539 0.495 18953 6055 1 7 . 1 1 55 55 GLN N N 55 118.867 118.867 122.370 -3.503 18953 6056 1 7 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.831 0.188 18953 6057 1 7 . 1 1 55 55 GLN C C 55 176.166 176.166 174.806 1.360 18953 6058 1 7 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.362 -1.248 18953 6059 1 7 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.716 0.755 18953 6060 1 7 . 1 1 55 55 GLN H H 55 7.657 7.657 8.254 -0.597 18953 6061 1 7 . 1 1 56 56 TYR N N 56 117.323 117.323 122.146 -4.823 18953 6062 1 7 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.664 -0.214 18953 6063 1 7 . 1 1 56 56 TYR C C 56 177.276 177.276 173.910 3.366 18953 6064 1 7 . 1 1 56 56 TYR CA C 56 57.213 57.213 57.076 0.137 18953 6065 1 7 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.233 -0.673 18953 6066 1 7 . 1 1 56 56 TYR H H 56 8.704 8.704 8.811 -0.107 18953 6067 1 7 . 1 1 57 57 PHE N N 57 125.557 125.557 124.615 0.942 18953 6068 1 7 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.862 0.355 18953 6069 1 7 . 1 1 57 57 PHE C C 57 176.412 176.412 174.339 2.073 18953 6070 1 7 . 1 1 57 57 PHE CA C 57 58.371 58.371 57.069 1.302 18953 6071 1 7 . 1 1 57 57 PHE CB C 57 40.989 40.989 40.217 0.772 18953 6072 1 7 . 1 1 57 57 PHE H H 57 8.600 8.600 8.718 -0.118 18953 6073 1 7 . 1 1 58 58 LEU N N 58 129.141 129.141 129.617 -0.476 18953 6074 1 7 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.670 -0.315 18953 6075 1 7 . 1 1 58 58 LEU C C 58 177.356 177.356 175.232 2.124 18953 6076 1 7 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.385 0.465 18953 6077 1 7 . 1 1 58 58 LEU CB C 58 44.886 44.886 43.150 1.736 18953 6078 1 7 . 1 1 58 58 LEU H H 58 8.969 8.969 8.352 0.617 18953 6079 1 7 . 1 1 59 59 ARG N N 59 118.569 118.569 122.451 -3.882 18953 6080 1 7 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.620 -0.057 18953 6081 1 7 . 1 1 59 59 ARG C C 59 175.341 175.341 175.572 -0.231 18953 6082 1 7 . 1 1 59 59 ARG CA C 59 53.734 53.734 53.793 -0.059 18953 6083 1 7 . 1 1 59 59 ARG CB C 59 32.396 32.396 32.601 -0.205 18953 6084 1 7 . 1 1 59 59 ARG H H 59 7.107 7.107 8.010 -0.903 18953 6085 1 7 . 1 1 60 60 ARG N N 60 121.635 121.635 122.459 -0.824 18953 6086 1 7 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.901 0.064 18953 6087 1 7 . 1 1 60 60 ARG C C 60 175.525 175.525 175.303 0.222 18953 6088 1 7 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.654 0.300 18953 6089 1 7 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.390 1.500 18953 6090 1 7 . 1 1 60 60 ARG H H 60 8.258 8.258 8.052 0.206 18953 6091 1 7 . 1 1 61 61 GLY N N 61 112.955 112.955 114.534 -1.579 18953 6092 1 7 . 1 1 61 61 GLY C C 61 180.518 180.518 171.443 9.075 18953 6093 1 7 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.684 -0.006 18953 6094 1 7 . 1 1 61 61 GLY H H 61 8.706 8.706 8.069 0.637 18953 6095 1 7 . 1 1 62 62 GLU N N 62 117.563 117.563 119.949 -2.386 18953 6096 1 7 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.593 -0.044 18953 6097 1 7 . 1 1 62 62 GLU C C 62 176.249 176.249 175.334 0.915 18953 6098 1 7 . 1 1 62 62 GLU CA C 62 55.813 55.813 55.297 0.516 18953 6099 1 7 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.653 1.191 18953 6100 1 7 . 1 1 62 62 GLU H H 62 8.161 8.161 8.333 -0.172 18953 6101 1 7 . 1 1 63 63 TYR N N 63 119.057 119.057 126.068 -7.011 18953 6102 1 7 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.932 0.244 18953 6103 1 7 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.296 -1.023 18953 6104 1 7 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.114 -1.066 18953 6105 1 7 . 1 1 63 63 TYR H H 63 8.827 8.827 8.917 -0.090 18953 6106 1 7 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.015 -0.331 18953 6107 1 7 . 1 1 64 64 PRO CA C 64 64.970 64.970 63.802 1.168 18953 6108 1 7 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.436 -0.301 18953 6109 1 7 . 1 1 65 65 ASP N N 65 118.810 118.810 115.150 3.660 18953 6110 1 7 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.269 -0.222 18953 6111 1 7 . 1 1 65 65 ASP C C 65 174.175 174.175 175.238 -1.063 18953 6112 1 7 . 1 1 65 65 ASP CA C 65 53.574 53.574 54.031 -0.457 18953 6113 1 7 . 1 1 65 65 ASP CB C 65 39.805 39.805 43.985 -4.180 18953 6114 1 7 . 1 1 65 65 ASP H H 65 8.600 8.600 7.695 0.905 18953 6115 1 7 . 1 1 66 66 TYR N N 66 119.662 119.662 118.014 1.648 18953 6116 1 7 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.851 -0.450 18953 6117 1 7 . 1 1 66 66 TYR C C 66 175.431 175.431 174.108 1.323 18953 6118 1 7 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.532 3.441 18953 6119 1 7 . 1 1 66 66 TYR CB C 66 38.024 38.024 39.373 -1.349 18953 6120 1 7 . 1 1 66 66 TYR H H 66 6.530 6.530 7.999 -1.469 18953 6121 1 7 . 1 1 67 67 MET N N 67 121.502 121.502 118.767 2.735 18953 6122 1 7 . 1 1 67 67 MET HA H 67 3.626 3.626 4.274 -0.648 18953 6123 1 7 . 1 1 67 67 MET C C 67 172.742 172.742 177.445 -4.703 18953 6124 1 7 . 1 1 67 67 MET CA C 67 59.998 59.998 56.532 3.466 18953 6125 1 7 . 1 1 67 67 MET CB C 67 32.064 32.064 33.328 -1.264 18953 6126 1 7 . 1 1 67 67 MET H H 67 8.299 8.299 7.821 0.478 18953 6127 1 7 . 1 1 68 68 ARG N N 68 116.824 116.824 118.418 -1.594 18953 6128 1 7 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.382 -0.227 18953 6129 1 7 . 1 1 68 68 ARG C C 68 171.982 171.982 176.462 -4.480 18953 6130 1 7 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.045 0.554 18953 6131 1 7 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.067 0.989 18953 6132 1 7 . 1 1 68 68 ARG H H 68 6.919 6.919 8.171 -1.252 18953 6133 1 7 . 1 1 69 69 THR N N 69 111.292 111.292 114.078 -2.786 18953 6134 1 7 . 1 1 69 69 THR HA H 69 4.101 4.101 4.231 -0.130 18953 6135 1 7 . 1 1 69 69 THR C C 69 174.584 174.584 174.671 -0.087 18953 6136 1 7 . 1 1 69 69 THR CA C 69 65.512 65.512 65.215 0.297 18953 6137 1 7 . 1 1 69 69 THR CB C 69 68.821 68.821 68.879 -0.058 18953 6138 1 7 . 1 1 69 69 THR H H 69 8.020 8.020 8.184 -0.164 18953 6139 1 7 . 1 1 70 70 MET N N 70 117.481 117.481 118.047 -0.566 18953 6140 1 7 . 1 1 70 70 MET HA H 70 4.496 4.496 4.680 -0.184 18953 6141 1 7 . 1 1 70 70 MET C C 70 175.015 175.015 176.383 -1.368 18953 6142 1 7 . 1 1 70 70 MET CA C 70 56.029 56.029 55.671 0.358 18953 6143 1 7 . 1 1 70 70 MET CB C 70 33.013 33.013 34.477 -1.464 18953 6144 1 7 . 1 1 70 70 MET H H 70 8.315 8.315 7.535 0.780 18953 6145 1 7 . 1 1 71 71 GLY N N 71 108.537 108.537 108.932 -0.395 18953 6146 1 7 . 1 1 71 71 GLY C C 71 176.534 176.534 173.313 3.221 18953 6147 1 7 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.262 1.947 18953 6148 1 7 . 1 1 71 71 GLY H H 71 7.352 7.352 7.856 -0.504 18953 6149 1 7 . 1 1 72 72 MET N N 72 118.363 118.363 117.894 0.469 18953 6150 1 7 . 1 1 72 72 MET HA H 72 4.375 4.375 4.769 -0.394 18953 6151 1 7 . 1 1 72 72 MET C C 72 176.034 176.034 175.296 0.738 18953 6152 1 7 . 1 1 72 72 MET CA C 72 55.884 55.884 54.351 1.533 18953 6153 1 7 . 1 1 72 72 MET CB C 72 35.756 35.756 35.579 0.177 18953 6154 1 7 . 1 1 72 72 MET H H 72 7.888 7.888 7.486 0.402 18953 6155 1 7 . 1 1 73 73 ASN N N 73 119.052 119.052 123.951 -4.899 18953 6156 1 7 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.784 -0.063 18953 6157 1 7 . 1 1 73 73 ASN C C 73 177.307 177.307 174.071 3.236 18953 6158 1 7 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.419 1.447 18953 6159 1 7 . 1 1 73 73 ASN CB C 73 39.872 39.872 37.609 2.263 18953 6160 1 7 . 1 1 73 73 ASN H H 73 8.956 8.956 8.911 0.045 18953 6161 1 7 . 1 1 74 74 ASP N N 74 118.536 118.536 116.492 2.044 18953 6162 1 7 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.583 0.293 18953 6163 1 7 . 1 1 74 74 ASP C C 74 177.595 177.595 174.520 3.075 18953 6164 1 7 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.234 -0.688 18953 6165 1 7 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.118 2.925 18953 6166 1 7 . 1 1 74 74 ASP H H 74 7.831 7.831 7.661 0.170 18953 6167 1 7 . 1 1 75 75 CYS N N 75 116.378 116.378 116.090 0.288 18953 6168 1 7 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.218 -0.557 18953 6169 1 7 . 1 1 75 75 CYS C C 75 177.301 177.301 175.268 2.033 18953 6170 1 7 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.455 1.617 18953 6171 1 7 . 1 1 75 75 CYS CB C 75 29.613 29.613 30.792 -1.179 18953 6172 1 7 . 1 1 75 75 CYS H H 75 8.527 8.527 8.505 0.022 18953 6173 1 7 . 1 1 76 76 VAL N N 76 116.516 116.516 115.567 0.949 18953 6174 1 7 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.197 -0.287 18953 6175 1 7 . 1 1 76 76 VAL C C 76 175.906 175.906 176.233 -0.327 18953 6176 1 7 . 1 1 76 76 VAL CA C 76 63.823 63.823 63.087 0.736 18953 6177 1 7 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.816 -0.110 18953 6178 1 7 . 1 1 76 76 VAL H H 76 7.296 7.296 8.137 -0.841 18953 6179 1 7 . 1 1 77 77 ARG N N 77 120.435 120.435 120.352 0.083 18953 6180 1 7 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.519 -0.139 18953 6181 1 7 . 1 1 77 77 ARG C C 77 175.519 175.519 176.087 -0.568 18953 6182 1 7 . 1 1 77 77 ARG CA C 77 55.408 55.408 55.292 0.116 18953 6183 1 7 . 1 1 77 77 ARG CB C 77 34.212 34.212 31.464 2.748 18953 6184 1 7 . 1 1 77 77 ARG H H 77 8.923 8.923 8.497 0.426 18953 6185 1 7 . 1 1 78 78 SER N N 78 110.315 110.315 114.239 -3.924 18953 6186 1 7 . 1 1 78 78 SER HA H 78 4.533 4.533 5.330 -0.797 18953 6187 1 7 . 1 1 78 78 SER C C 78 177.603 177.603 172.758 4.845 18953 6188 1 7 . 1 1 78 78 SER CA C 78 59.512 59.512 57.076 2.436 18953 6189 1 7 . 1 1 78 78 SER CB C 78 65.883 65.883 65.590 0.293 18953 6190 1 7 . 1 1 78 78 SER H H 78 8.100 8.100 8.127 -0.027 18953 6191 1 7 . 1 1 79 79 CYS N N 79 112.901 112.901 118.882 -5.981 18953 6192 1 7 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.122 1.195 18953 6193 1 7 . 1 1 79 79 CYS C C 79 179.601 179.601 172.548 7.053 18953 6194 1 7 . 1 1 79 79 CYS CA C 79 56.479 56.479 58.844 -2.365 18953 6195 1 7 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.786 -0.436 18953 6196 1 7 . 1 1 79 79 CYS H H 79 9.438 9.438 9.178 0.260 18953 6197 1 7 . 1 1 80 80 ARG N N 80 122.877 122.877 122.063 0.814 18953 6198 1 7 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.889 0.138 18953 6199 1 7 . 1 1 80 80 ARG C C 80 176.888 176.888 173.684 3.204 18953 6200 1 7 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.684 0.003 18953 6201 1 7 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.465 0.222 18953 6202 1 7 . 1 1 80 80 ARG H H 80 10.005 10.005 8.975 1.030 18953 6203 1 7 . 1 1 81 81 MET N N 81 125.699 125.699 123.646 2.053 18953 6204 1 7 . 1 1 81 81 MET HA H 81 3.494 3.494 4.489 -0.995 18953 6205 1 7 . 1 1 81 81 MET C C 81 176.369 176.369 175.169 1.200 18953 6206 1 7 . 1 1 81 81 MET CA C 81 55.587 55.587 55.498 0.089 18953 6207 1 7 . 1 1 81 81 MET CB C 81 34.241 34.241 34.865 -0.624 18953 6208 1 7 . 1 1 81 81 MET H H 81 9.198 9.198 8.601 0.597 18953 6209 1 7 . 1 1 82 82 ILE N N 82 131.119 131.119 125.248 5.871 18953 6210 1 7 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.490 -0.456 18953 6211 1 7 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.282 0.568 18953 6212 1 7 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.472 0.721 18953 6213 1 7 . 1 1 82 82 ILE H H 82 7.744 7.744 8.516 -0.772 18953 6214 1 7 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.642 -0.441 18953 6215 1 7 . 1 1 83 83 PRO C C 83 176.434 176.434 177.170 -0.736 18953 6216 1 7 . 1 1 83 83 PRO CA C 83 62.426 62.426 62.069 0.357 18953 6217 1 7 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.681 -0.287 18953 6218 1 7 . 1 1 84 84 LEU N N 84 120.509 120.509 123.269 -2.760 18953 6219 1 7 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.570 -0.330 18953 6220 1 7 . 1 1 84 84 LEU C C 84 174.899 174.899 176.206 -1.307 18953 6221 1 7 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.217 0.310 18953 6222 1 7 . 1 1 84 84 LEU CB C 84 41.560 41.560 40.508 1.052 18953 6223 1 7 . 1 1 84 84 LEU H H 84 7.873 7.873 8.555 -0.682 18953 6224 1 7 . 1 1 85 85 HIS N N 85 125.245 125.245 121.563 3.682 18953 6225 1 7 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.732 -0.148 18953 6226 1 7 . 1 1 85 85 HIS CA C 85 56.167 56.167 55.574 0.593 18953 6227 1 7 . 1 1 85 85 HIS CB C 85 32.644 32.644 30.507 2.137 18953 6228 1 7 . 1 1 85 85 HIS H H 85 8.600 8.600 8.238 0.362 18953 6229 1 7 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.508 0.253 18953 6230 1 7 . 1 1 86 86 HIS C C 86 177.250 177.250 173.595 3.655 18953 6231 1 7 . 1 1 86 86 HIS CA C 86 54.709 54.709 54.544 0.165 18953 6232 1 7 . 1 1 86 86 HIS CB C 86 29.670 29.670 30.484 -0.814 18953 6233 1 7 . 1 1 86 86 HIS H H 86 8.500 8.500 8.955 -0.455 18953 6234 1 7 . 1 1 87 87 GLY N N 87 107.909 107.909 111.938 -4.029 18953 6235 1 7 . 1 1 87 87 GLY C C 87 178.627 178.627 173.445 5.182 18953 6236 1 7 . 1 1 87 87 GLY CA C 87 44.861 44.861 44.564 0.297 18953 6237 1 7 . 1 1 87 87 GLY H H 87 6.662 6.662 8.125 -1.463 18953 6238 1 7 . 1 1 88 88 SER N N 88 116.742 116.742 116.544 0.198 18953 6239 1 7 . 1 1 88 88 SER HA H 88 4.528 4.528 4.667 -0.139 18953 6240 1 7 . 1 1 88 88 SER C C 88 178.527 178.527 172.932 5.595 18953 6241 1 7 . 1 1 88 88 SER CA C 88 58.279 58.279 57.630 0.649 18953 6242 1 7 . 1 1 88 88 SER CB C 88 64.360 64.360 65.573 -1.212 18953 6243 1 7 . 1 1 88 88 SER H H 88 8.235 8.235 8.023 0.212 18953 6244 1 7 . 1 1 89 89 PHE N N 89 119.985 119.985 123.996 -4.011 18953 6245 1 7 . 1 1 89 89 PHE HA H 89 4.568 4.568 4.783 -0.215 18953 6246 1 7 . 1 1 89 89 PHE C C 89 176.551 176.551 175.241 1.310 18953 6247 1 7 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.727 -0.992 18953 6248 1 7 . 1 1 89 89 PHE CB C 89 41.321 41.321 40.942 0.379 18953 6249 1 7 . 1 1 89 89 PHE H H 89 8.478 8.478 8.837 -0.359 18953 6250 1 7 . 1 1 90 90 LYS N N 90 122.179 122.179 127.302 -5.123 18953 6251 1 7 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.882 0.274 18953 6252 1 7 . 1 1 90 90 LYS C C 90 177.501 177.501 173.935 3.566 18953 6253 1 7 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.360 1.452 18953 6254 1 7 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.316 -0.615 18953 6255 1 7 . 1 1 90 90 LYS H H 90 9.130 9.130 8.799 0.331 18953 6256 1 7 . 1 1 91 91 MET N N 91 127.037 127.037 125.900 1.137 18953 6257 1 7 . 1 1 91 91 MET HA H 91 4.835 4.835 4.813 0.022 18953 6258 1 7 . 1 1 91 91 MET C C 91 179.276 179.276 173.999 5.277 18953 6259 1 7 . 1 1 91 91 MET CA C 91 54.527 54.527 53.848 0.679 18953 6260 1 7 . 1 1 91 91 MET CB C 91 36.920 36.920 36.167 0.753 18953 6261 1 7 . 1 1 91 91 MET H H 91 9.202 9.202 8.851 0.351 18953 6262 1 7 . 1 1 92 92 ARG N N 92 121.520 121.520 126.065 -4.545 18953 6263 1 7 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.555 0.313 18953 6264 1 7 . 1 1 92 92 ARG C C 92 177.432 177.432 174.915 2.517 18953 6265 1 7 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.191 -0.194 18953 6266 1 7 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.528 2.957 18953 6267 1 7 . 1 1 92 92 ARG H H 92 8.776 8.776 8.983 -0.207 18953 6268 1 7 . 1 1 93 93 LEU N N 93 124.749 124.749 125.061 -0.312 18953 6269 1 7 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.396 -0.121 18953 6270 1 7 . 1 1 93 93 LEU C C 93 176.662 176.662 175.047 1.615 18953 6271 1 7 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.879 -0.183 18953 6272 1 7 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.242 0.648 18953 6273 1 7 . 1 1 93 93 LEU H H 93 8.841 8.841 8.812 0.029 18953 6274 1 7 . 1 1 94 94 TYR N N 94 116.673 116.673 120.884 -4.211 18953 6275 1 7 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.943 0.481 18953 6276 1 7 . 1 1 94 94 TYR C C 94 175.232 175.232 175.600 -0.368 18953 6277 1 7 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.017 0.044 18953 6278 1 7 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.467 -1.104 18953 6279 1 7 . 1 1 94 94 TYR H H 94 8.161 8.161 8.917 -0.756 18953 6280 1 7 . 1 1 95 95 GLU N N 95 121.556 121.556 123.303 -1.747 18953 6281 1 7 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.272 -0.238 18953 6282 1 7 . 1 1 95 95 GLU C C 95 174.587 174.587 176.445 -1.858 18953 6283 1 7 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.402 0.558 18953 6284 1 7 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.274 3.250 18953 6285 1 7 . 1 1 95 95 GLU H H 95 8.537 8.537 8.577 -0.040 18953 6286 1 7 . 1 1 96 96 HIS N N 96 113.214 113.214 116.709 -3.495 18953 6287 1 7 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.741 0.565 18953 6288 1 7 . 1 1 96 96 HIS C C 96 175.830 175.830 174.823 1.007 18953 6289 1 7 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.390 -0.244 18953 6290 1 7 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.139 1.226 18953 6291 1 7 . 1 1 96 96 HIS H H 96 8.154 8.154 7.828 0.326 18953 6292 1 7 . 1 1 97 97 SER N N 97 115.997 115.997 115.069 0.928 18953 6293 1 7 . 1 1 97 97 SER HA H 97 4.196 4.196 4.753 -0.557 18953 6294 1 7 . 1 1 97 97 SER C C 97 177.588 177.588 175.513 2.075 18953 6295 1 7 . 1 1 97 97 SER CA C 97 59.180 59.180 59.617 -0.437 18953 6296 1 7 . 1 1 97 97 SER CB C 97 63.740 63.740 64.265 -0.525 18953 6297 1 7 . 1 1 97 97 SER H H 97 8.728 8.728 8.592 0.136 18953 6298 1 7 . 1 1 98 98 ASP N N 98 116.560 116.560 122.000 -5.440 18953 6299 1 7 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.278 -0.313 18953 6300 1 7 . 1 1 98 98 ASP C C 98 176.991 176.991 175.193 1.798 18953 6301 1 7 . 1 1 98 98 ASP CA C 98 56.873 56.873 57.044 -0.171 18953 6302 1 7 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.944 -0.430 18953 6303 1 7 . 1 1 98 98 ASP H H 98 9.714 9.714 8.825 0.889 18953 6304 1 7 . 1 1 99 99 MET N N 99 112.109 112.109 121.340 -9.231 18953 6305 1 7 . 1 1 99 99 MET HA H 99 2.689 2.689 4.137 -1.448 18953 6306 1 7 . 1 1 99 99 MET C C 99 176.133 176.133 174.415 1.718 18953 6307 1 7 . 1 1 99 99 MET CA C 99 56.596 56.596 55.177 1.419 18953 6308 1 7 . 1 1 99 99 MET CB C 99 27.203 27.203 33.395 -6.192 18953 6309 1 7 . 1 1 99 99 MET H H 99 8.425 8.425 7.861 0.564 18953 6310 1 7 . 1 1 100 100 GLY N N 100 104.572 104.572 107.433 -2.861 18953 6311 1 7 . 1 1 100 100 GLY C C 100 177.855 177.855 173.913 3.942 18953 6312 1 7 . 1 1 100 100 GLY CA C 100 44.345 44.345 43.913 0.432 18953 6313 1 7 . 1 1 100 100 GLY H H 100 6.670 6.670 7.577 -0.907 18953 6314 1 7 . 1 1 101 101 GLY N N 101 105.792 105.792 107.460 -1.668 18953 6315 1 7 . 1 1 101 101 GLY C C 101 177.525 177.525 173.989 3.536 18953 6316 1 7 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.198 0.908 18953 6317 1 7 . 1 1 101 101 GLY H H 101 8.446 8.446 7.982 0.464 18953 6318 1 7 . 1 1 102 102 ARG N N 102 121.688 121.688 120.543 1.145 18953 6319 1 7 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.211 -0.213 18953 6320 1 7 . 1 1 102 102 ARG C C 102 177.803 177.803 176.514 1.289 18953 6321 1 7 . 1 1 102 102 ARG CA C 102 58.368 58.368 56.025 2.343 18953 6322 1 7 . 1 1 102 102 ARG CB C 102 31.684 31.684 30.995 0.689 18953 6323 1 7 . 1 1 102 102 ARG H H 102 8.785 8.785 8.172 0.613 18953 6324 1 7 . 1 1 103 103 MET N N 103 122.371 122.371 122.023 0.348 18953 6325 1 7 . 1 1 103 103 MET HA H 103 4.754 4.754 4.872 -0.118 18953 6326 1 7 . 1 1 103 103 MET C C 103 175.490 175.490 174.660 0.830 18953 6327 1 7 . 1 1 103 103 MET CA C 103 53.993 53.993 54.145 -0.152 18953 6328 1 7 . 1 1 103 103 MET CB C 103 34.860 34.860 33.166 1.694 18953 6329 1 7 . 1 1 103 103 MET H H 103 7.905 7.905 8.236 -0.331 18953 6330 1 7 . 1 1 104 104 MET N N 104 127.629 127.629 123.974 3.655 18953 6331 1 7 . 1 1 104 104 MET HA H 104 4.318 4.318 4.472 -0.154 18953 6332 1 7 . 1 1 104 104 MET C C 104 177.870 177.870 174.499 3.371 18953 6333 1 7 . 1 1 104 104 MET CA C 104 54.080 54.080 53.604 0.476 18953 6334 1 7 . 1 1 104 104 MET CB C 104 35.315 35.315 34.618 0.697 18953 6335 1 7 . 1 1 104 104 MET H H 104 8.796 8.796 8.214 0.582 18953 6336 1 7 . 1 1 105 105 GLU N N 105 123.753 123.753 122.082 1.671 18953 6337 1 7 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.958 -0.112 18953 6338 1 7 . 1 1 105 105 GLU C C 105 176.871 176.871 175.596 1.275 18953 6339 1 7 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.354 0.334 18953 6340 1 7 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.711 1.804 18953 6341 1 7 . 1 1 105 105 GLU H H 105 8.467 8.467 8.446 0.021 18953 6342 1 7 . 1 1 106 106 LEU N N 106 125.076 125.076 125.155 -0.079 18953 6343 1 7 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.877 0.011 18953 6344 1 7 . 1 1 106 106 LEU C C 106 175.666 175.666 175.184 0.482 18953 6345 1 7 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.977 -0.077 18953 6346 1 7 . 1 1 106 106 LEU CB C 106 46.797 46.797 45.330 1.467 18953 6347 1 7 . 1 1 106 106 LEU H H 106 8.933 8.933 8.793 0.140 18953 6348 1 7 . 1 1 107 107 MET N N 107 120.889 120.889 124.625 -3.736 18953 6349 1 7 . 1 1 107 107 MET HA H 107 5.152 5.152 4.965 0.187 18953 6350 1 7 . 1 1 107 107 MET C C 107 177.873 177.873 174.752 3.121 18953 6351 1 7 . 1 1 107 107 MET CA C 107 55.430 55.430 55.518 -0.088 18953 6352 1 7 . 1 1 107 107 MET CB C 107 35.107 35.107 33.634 1.473 18953 6353 1 7 . 1 1 107 107 MET H H 107 9.099 9.099 8.985 0.114 18953 6354 1 7 . 1 1 108 108 ASP N N 108 120.261 120.261 118.396 1.865 18953 6355 1 7 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.905 -0.456 18953 6356 1 7 . 1 1 108 108 ASP C C 108 178.998 178.998 174.828 4.170 18953 6357 1 7 . 1 1 108 108 ASP CA C 108 51.953 51.953 53.443 -1.490 18953 6358 1 7 . 1 1 108 108 ASP CB C 108 43.335 43.335 42.603 0.732 18953 6359 1 7 . 1 1 108 108 ASP H H 108 7.874 7.874 7.852 0.022 18953 6360 1 7 . 1 1 109 109 ASP N N 109 115.191 115.191 120.322 -5.131 18953 6361 1 7 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.768 0.070 18953 6362 1 7 . 1 1 109 109 ASP C C 109 174.768 174.768 175.375 -0.607 18953 6363 1 7 . 1 1 109 109 ASP CA C 109 55.106 55.106 54.005 1.101 18953 6364 1 7 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.958 -0.900 18953 6365 1 7 . 1 1 109 109 ASP H H 109 8.065 8.065 8.483 -0.418 18953 6366 1 7 . 1 1 110 110 CYS N N 110 120.716 120.716 124.255 -3.539 18953 6367 1 7 . 1 1 110 110 CYS HA H 110 5.139 5.139 5.067 0.072 18953 6368 1 7 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.284 0.533 18953 6369 1 7 . 1 1 110 110 CYS CB C 110 29.730 29.730 29.559 0.171 18953 6370 1 7 . 1 1 110 110 CYS H H 110 9.583 9.583 8.561 1.022 18953 6371 1 7 . 1 1 111 111 PRO HA H 111 3.971 3.971 4.153 -0.182 18953 6372 1 7 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.324 -0.180 18953 6373 1 7 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.315 -0.406 18953 6374 1 7 . 1 1 112 112 ASN N N 112 116.300 116.300 115.679 0.621 18953 6375 1 7 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.933 -0.158 18953 6376 1 7 . 1 1 112 112 ASN C C 112 175.948 175.948 175.351 0.597 18953 6377 1 7 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.366 1.755 18953 6378 1 7 . 1 1 112 112 ASN CB C 112 38.709 38.709 39.938 -1.229 18953 6379 1 7 . 1 1 112 112 ASN H H 112 7.385 7.385 7.798 -0.413 18953 6380 1 7 . 1 1 113 113 LEU N N 113 129.895 129.895 123.972 5.923 18953 6381 1 7 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.129 0.028 18953 6382 1 7 . 1 1 113 113 LEU C C 113 173.709 173.709 178.183 -4.474 18953 6383 1 7 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.922 0.967 18953 6384 1 7 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.506 -0.055 18953 6385 1 7 . 1 1 113 113 LEU H H 113 8.154 8.154 8.550 -0.396 18953 6386 1 7 . 1 1 114 114 MET N N 114 120.939 120.939 116.773 4.166 18953 6387 1 7 . 1 1 114 114 MET HA H 114 4.204 4.204 4.127 0.077 18953 6388 1 7 . 1 1 114 114 MET C C 114 171.942 171.942 178.119 -6.177 18953 6389 1 7 . 1 1 114 114 MET CA C 114 58.354 58.354 58.569 -0.215 18953 6390 1 7 . 1 1 114 114 MET CB C 114 31.118 31.118 31.615 -0.497 18953 6391 1 7 . 1 1 114 114 MET H H 114 8.421 8.421 8.105 0.316 18953 6392 1 7 . 1 1 115 115 ASP N N 115 119.204 119.204 117.853 1.351 18953 6393 1 7 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.553 -0.280 18953 6394 1 7 . 1 1 115 115 ASP C C 115 174.228 174.228 177.682 -3.454 18953 6395 1 7 . 1 1 115 115 ASP CA C 115 56.737 56.737 55.641 1.096 18953 6396 1 7 . 1 1 115 115 ASP CB C 115 40.621 40.621 41.011 -0.390 18953 6397 1 7 . 1 1 115 115 ASP H H 115 7.695 7.695 7.699 -0.004 18953 6398 1 7 . 1 1 116 116 ARG N N 116 116.937 116.937 118.831 -1.894 18953 6399 1 7 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.032 0.026 18953 6400 1 7 . 1 1 116 116 ARG C C 116 174.084 174.084 177.680 -3.596 18953 6401 1 7 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.445 -0.606 18953 6402 1 7 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.729 1.370 18953 6403 1 7 . 1 1 116 116 ARG H H 116 7.118 7.118 7.361 -0.243 18953 6404 1 7 . 1 1 117 117 PHE N N 117 113.914 113.914 115.698 -1.784 18953 6405 1 7 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.709 0.416 18953 6406 1 7 . 1 1 117 117 PHE C C 117 175.681 175.681 175.640 0.041 18953 6407 1 7 . 1 1 117 117 PHE CA C 117 57.040 57.040 57.392 -0.352 18953 6408 1 7 . 1 1 117 117 PHE CB C 117 41.881 41.881 39.621 2.260 18953 6409 1 7 . 1 1 117 117 PHE H H 117 8.641 8.641 7.893 0.748 18953 6410 1 7 . 1 1 118 118 ASN N N 118 117.137 117.137 118.537 -1.400 18953 6411 1 7 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.554 0.292 18953 6412 1 7 . 1 1 118 118 ASN C C 118 177.553 177.553 174.233 3.320 18953 6413 1 7 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.305 0.733 18953 6414 1 7 . 1 1 118 118 ASN CB C 118 38.049 38.049 37.518 0.531 18953 6415 1 7 . 1 1 118 118 ASN H H 118 8.478 8.478 8.013 0.465 18953 6416 1 7 . 1 1 119 119 MET N N 119 114.316 114.316 115.006 -0.690 18953 6417 1 7 . 1 1 119 119 MET HA H 119 4.386 4.386 4.775 -0.389 18953 6418 1 7 . 1 1 119 119 MET C C 119 178.321 178.321 173.426 4.895 18953 6419 1 7 . 1 1 119 119 MET CA C 119 55.950 55.950 55.107 0.843 18953 6420 1 7 . 1 1 119 119 MET CB C 119 37.233 37.233 35.411 1.822 18953 6421 1 7 . 1 1 119 119 MET H H 119 7.286 7.286 7.243 0.043 18953 6422 1 7 . 1 1 120 120 SER N N 120 111.310 111.310 115.666 -4.356 18953 6423 1 7 . 1 1 120 120 SER HA H 120 4.682 4.682 4.962 -0.280 18953 6424 1 7 . 1 1 120 120 SER C C 120 179.047 179.047 173.127 5.920 18953 6425 1 7 . 1 1 120 120 SER CA C 120 57.435 57.435 57.927 -0.492 18953 6426 1 7 . 1 1 120 120 SER CB C 120 65.594 65.594 64.667 0.927 18953 6427 1 7 . 1 1 120 120 SER H H 120 8.361 8.361 8.369 -0.008 18953 6428 1 7 . 1 1 121 121 ASP N N 121 120.422 120.422 121.657 -1.235 18953 6429 1 7 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.338 -0.256 18953 6430 1 7 . 1 1 121 121 ASP C C 121 177.532 177.532 174.808 2.724 18953 6431 1 7 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.135 0.495 18953 6432 1 7 . 1 1 121 121 ASP CB C 121 43.513 43.513 42.966 0.547 18953 6433 1 7 . 1 1 121 121 ASP H H 121 6.829 6.829 7.450 -0.621 18953 6434 1 7 . 1 1 122 122 PHE N N 122 120.611 120.611 121.192 -0.581 18953 6435 1 7 . 1 1 122 122 PHE HA H 122 4.695 4.695 5.024 -0.329 18953 6436 1 7 . 1 1 122 122 PHE C C 122 177.316 177.316 175.293 2.023 18953 6437 1 7 . 1 1 122 122 PHE CA C 122 57.660 57.660 55.941 1.719 18953 6438 1 7 . 1 1 122 122 PHE CB C 122 40.871 40.871 40.341 0.530 18953 6439 1 7 . 1 1 122 122 PHE H H 122 8.376 8.376 8.217 0.159 18953 6440 1 7 . 1 1 123 123 HIS N N 123 116.193 116.193 118.458 -2.265 18953 6441 1 7 . 1 1 123 123 HIS HA H 123 4.765 4.765 5.026 -0.261 18953 6442 1 7 . 1 1 123 123 HIS C C 123 176.431 176.431 175.381 1.050 18953 6443 1 7 . 1 1 123 123 HIS CA C 123 57.604 57.604 55.951 1.653 18953 6444 1 7 . 1 1 123 123 HIS CB C 123 33.280 33.280 30.895 2.385 18953 6445 1 7 . 1 1 123 123 HIS H H 123 7.577 7.577 9.062 -1.485 18953 6446 1 7 . 1 1 124 124 SER N N 124 107.332 107.332 112.343 -5.011 18953 6447 1 7 . 1 1 124 124 SER HA H 124 4.698 4.698 5.380 -0.682 18953 6448 1 7 . 1 1 124 124 SER C C 124 178.179 178.179 172.731 5.448 18953 6449 1 7 . 1 1 124 124 SER CA C 124 59.556 59.556 57.168 2.388 18953 6450 1 7 . 1 1 124 124 SER CB C 124 65.667 65.667 66.405 -0.738 18953 6451 1 7 . 1 1 124 124 SER H H 124 8.256 8.256 8.499 -0.243 18953 6452 1 7 . 1 1 125 125 CYS N N 125 113.874 113.874 119.800 -5.926 18953 6453 1 7 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.439 0.112 18953 6454 1 7 . 1 1 125 125 CYS C C 125 179.655 179.655 172.621 7.034 18953 6455 1 7 . 1 1 125 125 CYS CA C 125 57.871 57.871 58.518 -0.647 18953 6456 1 7 . 1 1 125 125 CYS CB C 125 30.586 30.586 30.961 -0.375 18953 6457 1 7 . 1 1 125 125 CYS H H 125 9.561 9.561 8.888 0.673 18953 6458 1 7 . 1 1 126 126 HIS N N 126 124.829 124.829 121.191 3.638 18953 6459 1 7 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.280 0.201 18953 6460 1 7 . 1 1 126 126 HIS C C 126 176.575 176.575 173.053 3.522 18953 6461 1 7 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.717 -2.410 18953 6462 1 7 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.997 1.126 18953 6463 1 7 . 1 1 126 126 HIS H H 126 9.858 9.858 8.891 0.967 18953 6464 1 7 . 1 1 127 127 VAL N N 127 128.620 128.620 125.010 3.610 18953 6465 1 7 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.256 -0.382 18953 6466 1 7 . 1 1 127 127 VAL C C 127 176.660 176.660 175.117 1.543 18953 6467 1 7 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.024 2.461 18953 6468 1 7 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.662 -2.663 18953 6469 1 7 . 1 1 127 127 VAL H H 127 9.408 9.408 7.886 1.522 18953 6470 1 7 . 1 1 128 128 MET N N 128 129.466 129.466 124.550 4.916 18953 6471 1 7 . 1 1 128 128 MET HA H 128 3.930 3.930 4.744 -0.814 18953 6472 1 7 . 1 1 128 128 MET C C 128 176.093 176.093 176.258 -0.165 18953 6473 1 7 . 1 1 128 128 MET CA C 128 58.109 58.109 55.563 2.546 18953 6474 1 7 . 1 1 128 128 MET CB C 128 34.019 34.019 32.563 1.456 18953 6475 1 7 . 1 1 128 128 MET H H 128 7.906 7.906 8.689 -0.783 18953 6476 1 7 . 1 1 129 129 ASP N N 129 116.435 116.435 114.737 1.698 18953 6477 1 7 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.525 0.307 18953 6478 1 7 . 1 1 129 129 ASP C C 129 174.959 174.959 174.764 0.195 18953 6479 1 7 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.172 0.008 18953 6480 1 7 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.717 2.414 18953 6481 1 7 . 1 1 129 129 ASP H H 129 8.349 8.349 7.551 0.798 18953 6482 1 7 . 1 1 130 130 GLY N N 130 113.062 113.062 106.958 6.104 18953 6483 1 7 . 1 1 130 130 GLY C C 130 183.642 183.642 171.855 11.787 18953 6484 1 7 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.820 -0.348 18953 6485 1 7 . 1 1 130 130 GLY H H 130 8.479 8.479 8.042 0.437 18953 6486 1 7 . 1 1 131 131 HIS N N 131 114.389 114.389 119.285 -4.896 18953 6487 1 7 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.732 0.270 18953 6488 1 7 . 1 1 131 131 HIS C C 131 176.470 176.470 173.531 2.939 18953 6489 1 7 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.001 1.317 18953 6490 1 7 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.918 1.117 18953 6491 1 7 . 1 1 131 131 HIS H H 131 6.228 6.228 7.826 -1.598 18953 6492 1 7 . 1 1 132 132 TRP N N 132 122.333 122.333 122.969 -0.636 18953 6493 1 7 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.080 0.055 18953 6494 1 7 . 1 1 132 132 TRP C C 132 177.557 177.557 174.206 3.351 18953 6495 1 7 . 1 1 132 132 TRP CA C 132 56.896 56.896 55.933 0.963 18953 6496 1 7 . 1 1 132 132 TRP CB C 132 33.795 33.795 32.099 1.696 18953 6497 1 7 . 1 1 132 132 TRP H H 132 8.838 8.838 8.757 0.081 18953 6498 1 7 . 1 1 133 133 LEU N N 133 121.883 121.883 124.268 -2.385 18953 6499 1 7 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.099 0.023 18953 6500 1 7 . 1 1 133 133 LEU C C 133 176.457 176.457 174.802 1.655 18953 6501 1 7 . 1 1 133 133 LEU CA C 133 53.536 53.536 53.177 0.359 18953 6502 1 7 . 1 1 133 133 LEU CB C 133 46.570 46.570 44.402 2.168 18953 6503 1 7 . 1 1 133 133 LEU H H 133 9.403 9.403 9.194 0.209 18953 6504 1 7 . 1 1 134 134 VAL N N 134 123.013 123.013 126.179 -3.166 18953 6505 1 7 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.414 0.145 18953 6506 1 7 . 1 1 134 134 VAL C C 134 177.780 177.780 174.500 3.280 18953 6507 1 7 . 1 1 134 134 VAL CA C 134 60.949 60.949 60.872 0.077 18953 6508 1 7 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.505 -0.416 18953 6509 1 7 . 1 1 134 134 VAL H H 134 8.948 8.948 9.114 -0.166 18953 6510 1 7 . 1 1 135 135 TYR N N 135 122.405 122.405 124.690 -2.285 18953 6511 1 7 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.821 0.719 18953 6512 1 7 . 1 1 135 135 TYR C C 135 172.456 172.456 175.891 -3.435 18953 6513 1 7 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.814 -0.817 18953 6514 1 7 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.541 -0.796 18953 6515 1 7 . 1 1 135 135 TYR H H 135 9.068 9.068 9.457 -0.389 18953 6516 1 7 . 1 1 136 136 GLU N N 136 121.335 121.335 124.412 -3.077 18953 6517 1 7 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.419 -0.316 18953 6518 1 7 . 1 1 136 136 GLU C C 136 176.022 176.022 176.801 -0.779 18953 6519 1 7 . 1 1 136 136 GLU CA C 136 59.896 59.896 58.960 0.936 18953 6520 1 7 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.666 2.261 18953 6521 1 7 . 1 1 136 136 GLU H H 136 9.360 9.360 8.474 0.886 18953 6522 1 7 . 1 1 137 137 GLN N N 137 111.530 111.530 116.400 -4.870 18953 6523 1 7 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.888 0.079 18953 6524 1 7 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.651 0.182 18953 6525 1 7 . 1 1 137 137 GLN CB C 137 29.142 29.142 31.241 -2.099 18953 6526 1 7 . 1 1 137 137 GLN H H 137 7.808 7.808 8.167 -0.359 18953 6527 1 7 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.354 -0.212 18953 6528 1 7 . 1 1 138 138 PRO C C 138 176.607 176.607 177.128 -0.521 18953 6529 1 7 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.479 -1.018 18953 6530 1 7 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.448 0.745 18953 6531 1 7 . 1 1 139 139 ASN N N 139 113.240 113.240 115.694 -2.454 18953 6532 1 7 . 1 1 139 139 ASN HA H 139 3.356 3.356 3.827 -0.471 18953 6533 1 7 . 1 1 139 139 ASN C C 139 177.996 177.996 173.878 4.118 18953 6534 1 7 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.124 0.123 18953 6535 1 7 . 1 1 139 139 ASN CB C 139 36.635 36.635 37.173 -0.538 18953 6536 1 7 . 1 1 139 139 ASN H H 139 9.683 9.683 8.092 1.591 18953 6537 1 7 . 1 1 140 140 TYR N N 140 113.289 113.289 109.106 4.183 18953 6538 1 7 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.188 -0.428 18953 6539 1 7 . 1 1 140 140 TYR C C 140 176.488 176.488 174.425 2.063 18953 6540 1 7 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.284 -2.988 18953 6541 1 7 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.653 -0.693 18953 6542 1 7 . 1 1 140 140 TYR H H 140 8.000 8.000 7.757 0.243 18953 6543 1 7 . 1 1 141 141 THR N N 141 108.766 108.766 113.730 -4.964 18953 6544 1 7 . 1 1 141 141 THR HA H 141 4.697 4.697 4.643 0.054 18953 6545 1 7 . 1 1 141 141 THR C C 141 178.578 178.578 173.321 5.257 18953 6546 1 7 . 1 1 141 141 THR CA C 141 60.128 60.128 61.260 -1.132 18953 6547 1 7 . 1 1 141 141 THR CB C 141 72.848 72.848 72.649 0.199 18953 6548 1 7 . 1 1 141 141 THR H H 141 6.280 6.280 7.849 -1.569 18953 6549 1 7 . 1 1 142 142 GLY N N 142 106.121 106.121 108.670 -2.549 18953 6550 1 7 . 1 1 142 142 GLY C C 142 177.117 177.117 173.213 3.904 18953 6551 1 7 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.684 -0.517 18953 6552 1 7 . 1 1 142 142 GLY H H 142 8.285 8.285 8.338 -0.053 18953 6553 1 7 . 1 1 143 143 ARG N N 143 120.212 120.212 122.006 -1.794 18953 6554 1 7 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.934 0.002 18953 6555 1 7 . 1 1 143 143 ARG C C 143 177.580 177.580 176.153 1.427 18953 6556 1 7 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.932 1.188 18953 6557 1 7 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.741 1.415 18953 6558 1 7 . 1 1 143 143 ARG H H 143 8.583 8.583 8.314 0.269 18953 6559 1 7 . 1 1 144 144 GLN N N 144 119.516 119.516 121.403 -1.887 18953 6560 1 7 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.890 0.001 18953 6561 1 7 . 1 1 144 144 GLN C C 144 176.985 176.985 174.948 2.037 18953 6562 1 7 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.505 -1.183 18953 6563 1 7 . 1 1 144 144 GLN CB C 144 32.645 32.645 30.064 2.581 18953 6564 1 7 . 1 1 144 144 GLN H H 144 7.552 7.552 7.979 -0.427 18953 6565 1 7 . 1 1 145 145 PHE N N 145 114.745 114.745 119.580 -4.835 18953 6566 1 7 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.757 -0.100 18953 6567 1 7 . 1 1 145 145 PHE C C 145 176.969 176.969 174.298 2.671 18953 6568 1 7 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.648 -0.742 18953 6569 1 7 . 1 1 145 145 PHE CB C 145 42.267 42.267 43.132 -0.865 18953 6570 1 7 . 1 1 145 145 PHE H H 145 8.696 8.696 8.827 -0.131 18953 6571 1 7 . 1 1 146 146 TYR N N 146 124.271 124.271 125.338 -1.067 18953 6572 1 7 . 1 1 146 146 TYR HA H 146 5.274 5.274 4.872 0.402 18953 6573 1 7 . 1 1 146 146 TYR C C 146 176.212 176.212 174.238 1.974 18953 6574 1 7 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.205 -1.465 18953 6575 1 7 . 1 1 146 146 TYR CB C 146 38.234 38.234 39.069 -0.835 18953 6576 1 7 . 1 1 146 146 TYR H H 146 8.915 8.915 8.539 0.376 18953 6577 1 7 . 1 1 147 147 LEU N N 147 103.207 103.207 129.418 -26.211 18953 6578 1 7 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.517 -0.126 18953 6579 1 7 . 1 1 147 147 LEU C C 147 178.198 178.198 175.516 2.682 18953 6580 1 7 . 1 1 147 147 LEU CA C 147 54.969 54.969 53.947 1.022 18953 6581 1 7 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.506 1.639 18953 6582 1 7 . 1 1 147 147 LEU H H 147 9.229 9.229 8.642 0.587 18953 6583 1 7 . 1 1 148 148 ARG N N 148 120.815 120.815 123.750 -2.935 18953 6584 1 7 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.820 -0.241 18953 6585 1 7 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.755 0.239 18953 6586 1 7 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.648 -0.392 18953 6587 1 7 . 1 1 148 148 ARG H H 148 6.955 6.955 9.188 -2.233 18953 6588 1 7 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.106 0.080 18953 6589 1 7 . 1 1 149 149 PRO C C 149 175.154 175.154 177.093 -1.939 18953 6590 1 7 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.362 1.493 18953 6591 1 7 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.856 -0.219 18953 6592 1 7 . 1 1 150 150 GLY N N 150 111.695 111.695 108.178 3.517 18953 6593 1 7 . 1 1 150 150 GLY C C 150 179.740 179.740 171.658 8.082 18953 6594 1 7 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.256 0.357 18953 6595 1 7 . 1 1 150 150 GLY H H 150 8.965 8.965 7.544 1.421 18953 6596 1 7 . 1 1 151 151 GLU N N 151 118.822 118.822 119.938 -1.116 18953 6597 1 7 . 1 1 151 151 GLU HA H 151 4.323 4.323 5.038 -0.716 18953 6598 1 7 . 1 1 151 151 GLU C C 151 176.078 176.078 174.492 1.586 18953 6599 1 7 . 1 1 151 151 GLU CA C 151 56.553 56.553 54.951 1.602 18953 6600 1 7 . 1 1 151 151 GLU CB C 151 31.878 31.878 32.095 -0.217 18953 6601 1 7 . 1 1 151 151 GLU H H 151 8.403 8.403 8.215 0.188 18953 6602 1 7 . 1 1 152 152 TYR N N 152 123.055 123.055 122.228 0.827 18953 6603 1 7 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.727 0.013 18953 6604 1 7 . 1 1 152 152 TYR C C 152 176.413 176.413 176.229 0.184 18953 6605 1 7 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.688 -0.718 18953 6606 1 7 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.181 -2.406 18953 6607 1 7 . 1 1 152 152 TYR H H 152 8.859 8.859 9.290 -0.431 18953 6608 1 7 . 1 1 153 153 ARG N N 153 124.271 124.271 120.311 3.960 18953 6609 1 7 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.834 -0.818 18953 6610 1 7 . 1 1 153 153 ARG C C 153 176.727 176.727 175.906 0.821 18953 6611 1 7 . 1 1 153 153 ARG CA C 153 60.204 60.204 56.198 4.006 18953 6612 1 7 . 1 1 153 153 ARG CB C 153 30.340 30.340 33.293 -2.953 18953 6613 1 7 . 1 1 153 153 ARG H H 153 8.882 8.882 9.761 -0.879 18953 6614 1 7 . 1 1 154 154 SER N N 154 111.500 111.500 112.372 -0.872 18953 6615 1 7 . 1 1 154 154 SER HA H 154 5.194 5.194 4.653 0.541 18953 6616 1 7 . 1 1 154 154 SER C C 154 176.379 176.379 173.271 3.108 18953 6617 1 7 . 1 1 154 154 SER CA C 154 56.894 56.894 56.221 0.673 18953 6618 1 7 . 1 1 154 154 SER CB C 154 66.352 66.352 63.258 3.094 18953 6619 1 7 . 1 1 154 154 SER H H 154 8.070 8.070 7.859 0.211 18953 6620 1 7 . 1 1 155 155 TYR N N 155 119.386 119.386 120.970 -1.584 18953 6621 1 7 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.162 -1.999 18953 6622 1 7 . 1 1 155 155 TYR C C 155 174.639 174.639 176.654 -2.015 18953 6623 1 7 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.528 -2.159 18953 6624 1 7 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.403 0.996 18953 6625 1 7 . 1 1 155 155 TYR H H 155 7.638 7.638 7.159 0.479 18953 6626 1 7 . 1 1 156 156 ASN N N 156 119.038 119.038 114.183 4.855 18953 6627 1 7 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.517 -0.397 18953 6628 1 7 . 1 1 156 156 ASN C C 156 172.889 172.889 174.755 -1.866 18953 6629 1 7 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.193 2.404 18953 6630 1 7 . 1 1 156 156 ASN CB C 156 38.621 38.621 38.027 0.594 18953 6631 1 7 . 1 1 156 156 ASN H H 156 6.819 6.819 7.816 -0.997 18953 6632 1 7 . 1 1 157 157 ASP N N 157 118.338 118.338 120.636 -2.298 18953 6633 1 7 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.558 0.023 18953 6634 1 7 . 1 1 157 157 ASP C C 157 173.908 173.908 176.932 -3.024 18953 6635 1 7 . 1 1 157 157 ASP CA C 157 57.382 57.382 56.176 1.206 18953 6636 1 7 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.495 0.132 18953 6637 1 7 . 1 1 157 157 ASP H H 157 7.791 7.791 7.454 0.337 18953 6638 1 7 . 1 1 158 158 TRP N N 158 114.610 114.610 118.026 -3.416 18953 6639 1 7 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.928 0.406 18953 6640 1 7 . 1 1 158 158 TRP C C 158 175.711 175.711 176.628 -0.917 18953 6641 1 7 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.558 0.511 18953 6642 1 7 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.859 -0.740 18953 6643 1 7 . 1 1 158 158 TRP H H 158 7.000 7.000 6.676 0.324 18953 6644 1 7 . 1 1 159 159 GLY N N 159 108.647 108.647 108.137 0.510 18953 6645 1 7 . 1 1 159 159 GLY C C 159 175.991 175.991 174.246 1.745 18953 6646 1 7 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.347 0.385 18953 6647 1 7 . 1 1 159 159 GLY H H 159 7.588 7.588 8.092 -0.504 18953 6648 1 7 . 1 1 160 160 GLY N N 160 107.348 107.348 106.143 1.205 18953 6649 1 7 . 1 1 160 160 GLY C C 160 178.604 178.604 172.618 5.986 18953 6650 1 7 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.889 1.467 18953 6651 1 7 . 1 1 160 160 GLY H H 160 7.326 7.326 7.798 -0.472 18953 6652 1 7 . 1 1 161 161 VAL N N 161 118.047 118.047 116.166 1.881 18953 6653 1 7 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.199 0.053 18953 6654 1 7 . 1 1 161 161 VAL C C 161 175.118 175.118 175.534 -0.416 18953 6655 1 7 . 1 1 161 161 VAL CA C 161 63.303 63.303 63.570 -0.267 18953 6656 1 7 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.699 -0.864 18953 6657 1 7 . 1 1 161 161 VAL H H 161 8.697 8.697 8.474 0.223 18953 6658 1 7 . 1 1 162 162 THR N N 162 111.630 111.630 110.466 1.164 18953 6659 1 7 . 1 1 162 162 THR HA H 162 3.659 3.659 4.185 -0.526 18953 6660 1 7 . 1 1 162 162 THR C C 162 179.191 179.191 174.070 5.121 18953 6661 1 7 . 1 1 162 162 THR CA C 162 59.431 59.431 61.016 -1.585 18953 6662 1 7 . 1 1 162 162 THR CB C 162 71.935 71.935 71.101 0.834 18953 6663 1 7 . 1 1 162 162 THR H H 162 7.864 7.864 7.474 0.390 18953 6664 1 7 . 1 1 163 163 SER N N 163 112.275 112.275 112.980 -0.705 18953 6665 1 7 . 1 1 163 163 SER HA H 163 4.018 4.018 4.705 -0.687 18953 6666 1 7 . 1 1 163 163 SER C C 163 178.307 178.307 174.241 4.066 18953 6667 1 7 . 1 1 163 163 SER CA C 163 57.968 57.968 57.724 0.244 18953 6668 1 7 . 1 1 163 163 SER CB C 163 63.093 63.093 64.163 -1.070 18953 6669 1 7 . 1 1 163 163 SER H H 163 7.502 7.502 8.495 -0.993 18953 6670 1 7 . 1 1 164 164 ARG N N 164 122.770 122.770 123.969 -1.199 18953 6671 1 7 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.522 -0.097 18953 6672 1 7 . 1 1 164 164 ARG C C 164 175.003 175.003 175.199 -0.196 18953 6673 1 7 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.642 0.495 18953 6674 1 7 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.762 1.691 18953 6675 1 7 . 1 1 164 164 ARG H H 164 7.578 7.578 7.542 0.036 18953 6676 1 7 . 1 1 165 165 MET N N 165 122.454 122.454 122.616 -0.162 18953 6677 1 7 . 1 1 165 165 MET HA H 165 4.620 4.620 4.982 -0.362 18953 6678 1 7 . 1 1 165 165 MET C C 165 177.244 177.244 175.879 1.365 18953 6679 1 7 . 1 1 165 165 MET CA C 165 56.192 56.192 55.222 0.970 18953 6680 1 7 . 1 1 165 165 MET CB C 165 37.269 37.269 33.943 3.326 18953 6681 1 7 . 1 1 165 165 MET H H 165 8.480 8.480 8.851 -0.371 18953 6682 1 7 . 1 1 166 166 GLY N N 166 107.987 107.987 110.361 -2.374 18953 6683 1 7 . 1 1 166 166 GLY C C 166 177.648 177.648 173.657 3.991 18953 6684 1 7 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.819 0.873 18953 6685 1 7 . 1 1 166 166 GLY H H 166 9.046 9.046 8.618 0.428 18953 6686 1 7 . 1 1 167 167 SER N N 167 113.024 113.024 115.686 -2.662 18953 6687 1 7 . 1 1 167 167 SER HA H 167 4.562 4.562 5.796 -1.234 18953 6688 1 7 . 1 1 167 167 SER C C 167 179.104 179.104 172.973 6.131 18953 6689 1 7 . 1 1 167 167 SER CA C 167 58.729 58.729 56.734 1.995 18953 6690 1 7 . 1 1 167 167 SER CB C 167 64.816 64.816 66.503 -1.687 18953 6691 1 7 . 1 1 167 167 SER H H 167 8.257 8.257 8.063 0.194 18953 6692 1 7 . 1 1 168 168 ILE N N 168 118.927 118.927 119.930 -1.003 18953 6693 1 7 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.097 0.411 18953 6694 1 7 . 1 1 168 168 ILE C C 168 177.783 177.783 174.267 3.516 18953 6695 1 7 . 1 1 168 168 ILE CA C 168 61.161 61.161 61.075 0.085 18953 6696 1 7 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.173 1.037 18953 6697 1 7 . 1 1 168 168 ILE H H 168 8.922 8.922 9.396 -0.474 18953 6698 1 7 . 1 1 169 169 ARG N N 169 124.820 124.820 124.335 0.485 18953 6699 1 7 . 1 1 169 169 ARG HA H 169 5.045 5.045 5.075 -0.030 18953 6700 1 7 . 1 1 169 169 ARG C C 169 177.350 177.350 174.226 3.124 18953 6701 1 7 . 1 1 169 169 ARG CA C 169 54.185 54.185 53.899 0.286 18953 6702 1 7 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.867 0.124 18953 6703 1 7 . 1 1 169 169 ARG H H 169 9.757 9.757 9.319 0.438 18953 6704 1 7 . 1 1 170 170 ARG N N 170 122.951 122.951 125.867 -2.916 18953 6705 1 7 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.903 -0.638 18953 6706 1 7 . 1 1 170 170 ARG C C 170 174.373 174.373 175.252 -0.879 18953 6707 1 7 . 1 1 170 170 ARG CA C 170 55.170 55.170 54.004 1.166 18953 6708 1 7 . 1 1 170 170 ARG CB C 170 30.150 30.150 28.052 2.098 18953 6709 1 7 . 1 1 170 170 ARG H H 170 8.552 8.552 8.571 -0.019 18953 6710 1 7 . 1 1 171 171 ILE N N 171 123.280 123.280 122.783 0.497 18953 6711 1 7 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.618 0.184 18953 6712 1 7 . 1 1 171 171 ILE C C 171 177.088 177.088 175.716 1.372 18953 6713 1 7 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.006 0.555 18953 6714 1 7 . 1 1 171 171 ILE CB C 171 36.326 36.326 36.525 -0.199 18953 6715 1 7 . 1 1 171 171 ILE H H 171 8.424 8.424 7.949 0.475 18953 6716 1 7 . 1 1 172 172 THR N N 172 117.270 117.270 120.371 -3.101 18953 6717 1 7 . 1 1 172 172 THR HA H 172 4.558 4.558 4.328 0.230 18953 6718 1 7 . 1 1 172 172 THR C C 172 177.651 177.651 173.210 4.441 18953 6719 1 7 . 1 1 172 172 THR CA C 172 60.095 60.095 60.633 -0.538 18953 6720 1 7 . 1 1 172 172 THR CB C 172 70.040 70.040 67.534 2.506 18953 6721 1 7 . 1 1 172 172 THR H H 172 7.299 7.299 7.953 -0.654 18953 6722 1 7 . 1 1 173 173 ASP N N 173 121.598 121.598 123.878 -2.280 18953 6723 1 7 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.693 -0.248 18953 6724 1 7 . 1 1 173 173 ASP C C 173 177.041 177.041 175.838 1.203 18953 6725 1 7 . 1 1 173 173 ASP CA C 173 55.010 55.010 53.255 1.755 18953 6726 1 7 . 1 1 173 173 ASP CB C 173 41.524 41.524 40.314 1.210 18953 6727 1 7 . 1 1 173 173 ASP H H 173 8.477 8.477 7.771 0.706 18953 6728 1 8 . 1 1 2 2 GLY C C 2 182.782 182.782 172.677 10.105 18953 6729 1 8 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.560 -2.013 18953 6730 1 8 . 1 1 3 3 LYS N N 3 120.153 120.153 118.056 2.097 18953 6731 1 8 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.291 0.724 18953 6732 1 8 . 1 1 3 3 LYS C C 3 179.140 179.140 173.658 5.482 18953 6733 1 8 . 1 1 3 3 LYS CA C 3 57.310 57.310 56.113 1.197 18953 6734 1 8 . 1 1 3 3 LYS CB C 3 35.698 35.698 34.906 0.792 18953 6735 1 8 . 1 1 3 3 LYS H H 3 8.398 8.398 8.603 -0.205 18953 6736 1 8 . 1 1 4 4 ILE N N 4 129.769 129.769 121.065 8.704 18953 6737 1 8 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.967 -0.361 18953 6738 1 8 . 1 1 4 4 ILE C C 4 180.618 180.618 173.098 7.520 18953 6739 1 8 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.825 -0.425 18953 6740 1 8 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.568 -0.549 18953 6741 1 8 . 1 1 4 4 ILE H H 4 8.871 8.871 8.275 0.596 18953 6742 1 8 . 1 1 5 5 ILE N N 5 125.103 125.103 127.872 -2.769 18953 6743 1 8 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.892 -0.384 18953 6744 1 8 . 1 1 5 5 ILE C C 5 177.516 177.516 175.157 2.359 18953 6745 1 8 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.634 1.195 18953 6746 1 8 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.029 0.388 18953 6747 1 8 . 1 1 5 5 ILE H H 5 8.788 8.788 8.876 -0.088 18953 6748 1 8 . 1 1 6 6 PHE N N 6 125.558 125.558 126.070 -0.512 18953 6749 1 8 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.699 -0.075 18953 6750 1 8 . 1 1 6 6 PHE C C 6 176.512 176.512 175.076 1.436 18953 6751 1 8 . 1 1 6 6 PHE CA C 6 57.219 57.219 57.699 -0.480 18953 6752 1 8 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.369 0.114 18953 6753 1 8 . 1 1 6 6 PHE H H 6 8.540 8.540 9.147 -0.607 18953 6754 1 8 . 1 1 7 7 TYR N N 7 120.647 120.647 118.259 2.388 18953 6755 1 8 . 1 1 7 7 TYR HA H 7 5.171 5.171 4.988 0.183 18953 6756 1 8 . 1 1 7 7 TYR C C 7 173.898 173.898 175.133 -1.235 18953 6757 1 8 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.727 -0.281 18953 6758 1 8 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.553 -3.243 18953 6759 1 8 . 1 1 7 7 TYR H H 7 8.889 8.889 9.228 -0.339 18953 6760 1 8 . 1 1 8 8 GLU N N 8 122.007 122.007 123.026 -1.019 18953 6761 1 8 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.193 -0.012 18953 6762 1 8 . 1 1 8 8 GLU C C 8 174.881 174.881 176.696 -1.815 18953 6763 1 8 . 1 1 8 8 GLU CA C 8 60.066 60.066 57.988 2.078 18953 6764 1 8 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.738 1.314 18953 6765 1 8 . 1 1 8 8 GLU H H 8 8.756 8.756 8.609 0.147 18953 6766 1 8 . 1 1 9 9 ASP N N 9 114.203 114.203 119.517 -5.314 18953 6767 1 8 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.676 0.546 18953 6768 1 8 . 1 1 9 9 ASP CA C 9 52.366 52.366 53.341 -0.975 18953 6769 1 8 . 1 1 9 9 ASP CB C 9 43.436 43.436 41.945 1.491 18953 6770 1 8 . 1 1 9 9 ASP H H 9 7.977 7.977 8.074 -0.097 18953 6771 1 8 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.619 -1.500 18953 6772 1 8 . 1 1 11 11 ASN CA C 11 56.660 56.660 52.715 3.945 18953 6773 1 8 . 1 1 11 11 ASN CB C 11 35.050 35.050 37.322 -2.272 18953 6774 1 8 . 1 1 13 13 GLY C C 13 178.281 178.281 173.758 4.523 18953 6775 1 8 . 1 1 13 13 GLY CA C 13 44.446 44.446 45.416 -0.970 18953 6776 1 8 . 1 1 14 14 GLY N N 14 105.348 105.348 108.874 -3.526 18953 6777 1 8 . 1 1 14 14 GLY C C 14 176.463 176.463 174.654 1.809 18953 6778 1 8 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.445 -0.334 18953 6779 1 8 . 1 1 14 14 GLY H H 14 8.261 8.261 8.291 -0.030 18953 6780 1 8 . 1 1 15 15 ARG N N 15 119.637 119.637 124.706 -5.069 18953 6781 1 8 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.359 -0.148 18953 6782 1 8 . 1 1 15 15 ARG C C 15 176.574 176.574 176.100 0.474 18953 6783 1 8 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.383 0.949 18953 6784 1 8 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.650 0.762 18953 6785 1 8 . 1 1 15 15 ARG H H 15 8.579 8.579 8.363 0.216 18953 6786 1 8 . 1 1 16 16 TYR N N 16 114.846 114.846 121.408 -6.562 18953 6787 1 8 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.130 0.728 18953 6788 1 8 . 1 1 16 16 TYR C C 16 176.510 176.510 174.851 1.659 18953 6789 1 8 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.834 -0.221 18953 6790 1 8 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.730 1.688 18953 6791 1 8 . 1 1 16 16 TYR H H 16 7.617 7.617 7.876 -0.259 18953 6792 1 8 . 1 1 17 17 HIS N N 17 118.443 118.443 120.596 -2.153 18953 6793 1 8 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.886 -0.076 18953 6794 1 8 . 1 1 17 17 HIS C C 17 177.970 177.970 173.536 4.434 18953 6795 1 8 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.132 0.430 18953 6796 1 8 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.263 0.341 18953 6797 1 8 . 1 1 17 17 HIS H H 17 8.785 8.785 8.613 0.172 18953 6798 1 8 . 1 1 18 18 GLU N N 18 126.223 126.223 127.764 -1.541 18953 6799 1 8 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.374 0.464 18953 6800 1 8 . 1 1 18 18 GLU C C 18 176.504 176.504 175.038 1.466 18953 6801 1 8 . 1 1 18 18 GLU CA C 18 55.099 55.099 56.118 -1.019 18953 6802 1 8 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.317 1.805 18953 6803 1 8 . 1 1 18 18 GLU H H 18 8.529 8.529 8.703 -0.174 18953 6804 1 8 . 1 1 19 19 CYS N N 19 121.383 121.383 123.806 -2.423 18953 6805 1 8 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.573 0.084 18953 6806 1 8 . 1 1 19 19 CYS C C 19 178.018 178.018 173.797 4.221 18953 6807 1 8 . 1 1 19 19 CYS CA C 19 58.777 58.777 57.420 1.357 18953 6808 1 8 . 1 1 19 19 CYS CB C 19 29.812 29.812 30.476 -0.663 18953 6809 1 8 . 1 1 19 19 CYS H H 19 9.163 9.163 9.088 0.075 18953 6810 1 8 . 1 1 20 20 MET N N 20 126.877 126.877 122.889 3.988 18953 6811 1 8 . 1 1 20 20 MET HA H 20 5.295 5.295 4.600 0.695 18953 6812 1 8 . 1 1 20 20 MET C C 20 176.776 176.776 174.374 2.402 18953 6813 1 8 . 1 1 20 20 MET CA C 20 55.260 55.260 55.891 -0.631 18953 6814 1 8 . 1 1 20 20 MET CB C 20 33.370 33.370 33.613 -0.243 18953 6815 1 8 . 1 1 20 20 MET H H 20 8.995 8.995 8.771 0.224 18953 6816 1 8 . 1 1 21 21 SER N N 21 179.042 179.042 115.957 63.085 18953 6817 1 8 . 1 1 21 21 SER HA H 21 4.658 4.658 4.681 -0.023 18953 6818 1 8 . 1 1 21 21 SER C C 21 179.042 179.042 172.947 6.095 18953 6819 1 8 . 1 1 21 21 SER CA C 21 57.586 57.586 57.190 0.396 18953 6820 1 8 . 1 1 21 21 SER CB C 21 65.782 65.782 65.048 0.734 18953 6821 1 8 . 1 1 21 21 SER H H 21 7.990 7.990 7.846 0.144 18953 6822 1 8 . 1 1 22 22 ASP N N 22 117.203 117.203 123.683 -6.480 18953 6823 1 8 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.674 0.277 18953 6824 1 8 . 1 1 22 22 ASP C C 22 173.564 173.564 176.076 -2.512 18953 6825 1 8 . 1 1 22 22 ASP CA C 22 55.471 55.471 55.380 0.091 18953 6826 1 8 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.783 1.036 18953 6827 1 8 . 1 1 22 22 ASP H H 22 8.317 8.317 8.510 -0.193 18953 6828 1 8 . 1 1 23 23 CYS N N 23 121.308 121.308 121.376 -0.068 18953 6829 1 8 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.800 -0.009 18953 6830 1 8 . 1 1 23 23 CYS C C 23 177.265 177.265 174.012 3.253 18953 6831 1 8 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.403 2.560 18953 6832 1 8 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.154 -0.742 18953 6833 1 8 . 1 1 23 23 CYS H H 23 9.410 9.410 9.059 0.351 18953 6834 1 8 . 1 1 24 24 ALA N N 24 131.693 131.693 129.208 2.485 18953 6835 1 8 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.917 -0.395 18953 6836 1 8 . 1 1 24 24 ALA C C 24 175.455 175.455 175.630 -0.175 18953 6837 1 8 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.062 2.552 18953 6838 1 8 . 1 1 24 24 ALA CB C 24 19.175 19.175 19.007 0.168 18953 6839 1 8 . 1 1 24 24 ALA H H 24 9.210 9.210 8.843 0.367 18953 6840 1 8 . 1 1 25 25 ASP N N 25 113.873 113.873 117.181 -3.308 18953 6841 1 8 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.724 0.171 18953 6842 1 8 . 1 1 25 25 ASP C C 25 174.970 174.970 174.895 0.075 18953 6843 1 8 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.301 0.619 18953 6844 1 8 . 1 1 25 25 ASP CB C 25 40.564 40.564 40.477 0.087 18953 6845 1 8 . 1 1 25 25 ASP H H 25 7.524 7.524 7.505 0.019 18953 6846 1 8 . 1 1 26 26 LEU N N 26 127.166 127.166 120.601 6.565 18953 6847 1 8 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.257 -0.258 18953 6848 1 8 . 1 1 26 26 LEU C C 26 173.727 173.727 177.474 -3.747 18953 6849 1 8 . 1 1 26 26 LEU CA C 26 56.151 56.151 55.062 1.089 18953 6850 1 8 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.329 0.030 18953 6851 1 8 . 1 1 26 26 LEU H H 26 8.495 8.495 8.839 -0.344 18953 6852 1 8 . 1 1 27 27 HIS N N 27 118.732 118.732 119.568 -0.836 18953 6853 1 8 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.309 0.228 18953 6854 1 8 . 1 1 27 27 HIS C C 27 175.667 175.667 175.860 -0.193 18953 6855 1 8 . 1 1 27 27 HIS CA C 27 57.793 57.793 58.836 -1.043 18953 6856 1 8 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.149 -1.111 18953 6857 1 8 . 1 1 27 27 HIS H H 27 8.446 8.446 7.986 0.460 18953 6858 1 8 . 1 1 28 28 SER N N 28 112.598 112.598 113.311 -0.713 18953 6859 1 8 . 1 1 28 28 SER HA H 28 3.792 3.792 4.208 -0.416 18953 6860 1 8 . 1 1 28 28 SER C C 28 177.551 177.551 176.077 1.474 18953 6861 1 8 . 1 1 28 28 SER CA C 28 60.406 60.406 60.542 -0.136 18953 6862 1 8 . 1 1 28 28 SER CB C 28 62.814 62.814 63.031 -0.217 18953 6863 1 8 . 1 1 28 28 SER H H 28 7.237 7.237 8.097 -0.860 18953 6864 1 8 . 1 1 29 29 TYR N N 29 118.301 118.301 118.208 0.093 18953 6865 1 8 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.081 0.221 18953 6866 1 8 . 1 1 29 29 TYR C C 29 176.283 176.283 175.367 0.916 18953 6867 1 8 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.549 -1.881 18953 6868 1 8 . 1 1 29 29 TYR CB C 29 39.471 39.471 39.298 0.173 18953 6869 1 8 . 1 1 29 29 TYR H H 29 7.224 7.224 7.296 -0.072 18953 6870 1 8 . 1 1 30 30 PHE N N 30 112.713 112.713 109.662 3.051 18953 6871 1 8 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.663 0.019 18953 6872 1 8 . 1 1 30 30 PHE C C 30 177.785 177.785 173.697 4.088 18953 6873 1 8 . 1 1 30 30 PHE CA C 30 55.924 55.924 56.320 -0.396 18953 6874 1 8 . 1 1 30 30 PHE CB C 30 39.744 39.744 39.967 -0.223 18953 6875 1 8 . 1 1 30 30 PHE H H 30 7.173 7.173 7.304 -0.131 18953 6876 1 8 . 1 1 31 31 ASN N N 31 115.959 115.959 119.609 -3.650 18953 6877 1 8 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.519 0.191 18953 6878 1 8 . 1 1 31 31 ASN C C 31 176.537 176.537 174.732 1.805 18953 6879 1 8 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.298 0.253 18953 6880 1 8 . 1 1 31 31 ASN CB C 31 40.056 40.056 38.956 1.100 18953 6881 1 8 . 1 1 31 31 ASN H H 31 8.918 8.918 8.718 0.200 18953 6882 1 8 . 1 1 32 32 ARG N N 32 117.693 117.693 116.239 1.454 18953 6883 1 8 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.576 0.051 18953 6884 1 8 . 1 1 32 32 ARG C C 32 178.177 178.177 173.203 4.974 18953 6885 1 8 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.441 -0.286 18953 6886 1 8 . 1 1 32 32 ARG CB C 32 33.091 33.091 32.369 0.722 18953 6887 1 8 . 1 1 32 32 ARG H H 32 7.893 7.893 7.884 0.009 18953 6888 1 8 . 1 1 33 33 CYS N N 33 119.494 119.494 121.151 -1.657 18953 6889 1 8 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.561 0.391 18953 6890 1 8 . 1 1 33 33 CYS C C 33 176.223 176.223 173.405 2.818 18953 6891 1 8 . 1 1 33 33 CYS CA C 33 58.307 58.307 58.409 -0.102 18953 6892 1 8 . 1 1 33 33 CYS CB C 33 28.751 28.751 30.659 -1.908 18953 6893 1 8 . 1 1 33 33 CYS H H 33 8.161 8.161 8.539 -0.378 18953 6894 1 8 . 1 1 34 34 HIS N N 34 126.786 126.786 124.044 2.742 18953 6895 1 8 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.499 0.523 18953 6896 1 8 . 1 1 34 34 HIS C C 34 176.224 176.224 174.309 1.915 18953 6897 1 8 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.413 0.285 18953 6898 1 8 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.491 1.818 18953 6899 1 8 . 1 1 34 34 HIS H H 34 8.325 8.325 8.462 -0.137 18953 6900 1 8 . 1 1 35 35 SER N N 35 113.132 113.132 113.814 -0.682 18953 6901 1 8 . 1 1 35 35 SER HA H 35 5.264 5.264 5.330 -0.066 18953 6902 1 8 . 1 1 35 35 SER C C 35 179.093 179.093 172.575 6.518 18953 6903 1 8 . 1 1 35 35 SER CA C 35 59.951 59.951 57.101 2.850 18953 6904 1 8 . 1 1 35 35 SER CB C 35 65.754 65.754 65.918 -0.164 18953 6905 1 8 . 1 1 35 35 SER H H 35 8.489 8.489 8.080 0.409 18953 6906 1 8 . 1 1 36 36 ILE N N 36 119.607 119.607 121.151 -1.544 18953 6907 1 8 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.517 0.852 18953 6908 1 8 . 1 1 36 36 ILE C C 36 176.313 176.313 173.950 2.363 18953 6909 1 8 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.298 0.196 18953 6910 1 8 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.697 3.074 18953 6911 1 8 . 1 1 36 36 ILE H H 36 8.579 8.579 8.857 -0.278 18953 6912 1 8 . 1 1 37 37 ARG N N 37 126.328 126.328 125.265 1.063 18953 6913 1 8 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.845 0.114 18953 6914 1 8 . 1 1 37 37 ARG C C 37 176.785 176.785 174.119 2.666 18953 6915 1 8 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.367 0.747 18953 6916 1 8 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.810 0.524 18953 6917 1 8 . 1 1 37 37 ARG H H 37 9.342 9.342 8.822 0.520 18953 6918 1 8 . 1 1 38 38 VAL N N 38 125.466 125.466 127.990 -2.524 18953 6919 1 8 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.444 -0.120 18953 6920 1 8 . 1 1 38 38 VAL C C 38 175.196 175.196 175.419 -0.223 18953 6921 1 8 . 1 1 38 38 VAL CA C 38 62.436 62.436 62.213 0.223 18953 6922 1 8 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.643 -0.969 18953 6923 1 8 . 1 1 38 38 VAL H H 38 9.122 9.122 9.059 0.063 18953 6924 1 8 . 1 1 39 39 GLU N N 39 128.582 128.582 128.831 -0.249 18953 6925 1 8 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.161 -0.077 18953 6926 1 8 . 1 1 39 39 GLU C C 39 175.200 175.200 175.796 -0.596 18953 6927 1 8 . 1 1 39 39 GLU CA C 39 58.498 58.498 57.506 0.992 18953 6928 1 8 . 1 1 39 39 GLU CB C 39 31.830 31.830 31.092 0.738 18953 6929 1 8 . 1 1 39 39 GLU H H 39 8.258 8.258 8.562 -0.304 18953 6930 1 8 . 1 1 40 40 SER N N 40 108.412 108.412 110.311 -1.899 18953 6931 1 8 . 1 1 40 40 SER HA H 40 4.343 4.343 4.525 -0.182 18953 6932 1 8 . 1 1 40 40 SER C C 40 178.000 178.000 173.004 4.996 18953 6933 1 8 . 1 1 40 40 SER CA C 40 57.623 57.623 57.842 -0.219 18953 6934 1 8 . 1 1 40 40 SER CB C 40 64.539 64.539 64.074 0.465 18953 6935 1 8 . 1 1 40 40 SER H H 40 7.753 7.753 7.394 0.359 18953 6936 1 8 . 1 1 41 41 GLY N N 41 109.451 109.451 111.854 -2.403 18953 6937 1 8 . 1 1 41 41 GLY C C 41 179.855 179.855 172.738 7.117 18953 6938 1 8 . 1 1 41 41 GLY CA C 41 44.884 44.884 45.033 -0.149 18953 6939 1 8 . 1 1 41 41 GLY H H 41 8.714 8.714 8.466 0.248 18953 6940 1 8 . 1 1 42 42 CYS N N 42 112.295 112.295 118.537 -6.242 18953 6941 1 8 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.489 -0.555 18953 6942 1 8 . 1 1 42 42 CYS C C 42 178.663 178.663 173.623 5.040 18953 6943 1 8 . 1 1 42 42 CYS CA C 42 56.877 56.877 58.406 -1.529 18953 6944 1 8 . 1 1 42 42 CYS CB C 42 31.679 31.679 32.229 -0.550 18953 6945 1 8 . 1 1 42 42 CYS H H 42 7.794 7.794 8.589 -0.795 18953 6946 1 8 . 1 1 43 43 PHE N N 43 118.841 118.841 121.445 -2.604 18953 6947 1 8 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.761 0.363 18953 6948 1 8 . 1 1 43 43 PHE C C 43 178.045 178.045 172.979 5.066 18953 6949 1 8 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.259 -0.769 18953 6950 1 8 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.728 1.229 18953 6951 1 8 . 1 1 43 43 PHE H H 43 8.509 8.509 9.029 -0.520 18953 6952 1 8 . 1 1 44 44 MET N N 44 119.494 119.494 126.801 -7.307 18953 6953 1 8 . 1 1 44 44 MET HA H 44 5.442 5.442 4.945 0.497 18953 6954 1 8 . 1 1 44 44 MET C C 44 174.336 174.336 173.945 0.391 18953 6955 1 8 . 1 1 44 44 MET CA C 44 52.992 52.992 53.038 -0.046 18953 6956 1 8 . 1 1 44 44 MET CB C 44 33.835 33.835 34.819 -0.984 18953 6957 1 8 . 1 1 44 44 MET H H 44 9.110 9.110 8.236 0.874 18953 6958 1 8 . 1 1 45 45 VAL N N 45 117.666 117.666 123.545 -5.879 18953 6959 1 8 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.837 0.550 18953 6960 1 8 . 1 1 45 45 VAL C C 45 177.844 177.844 173.693 4.151 18953 6961 1 8 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.586 0.047 18953 6962 1 8 . 1 1 45 45 VAL CB C 45 34.280 34.280 33.759 0.521 18953 6963 1 8 . 1 1 45 45 VAL H H 45 9.345 9.345 8.792 0.553 18953 6964 1 8 . 1 1 46 46 TYR N N 46 117.876 117.876 123.952 -6.076 18953 6965 1 8 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.172 0.833 18953 6966 1 8 . 1 1 46 46 TYR C C 46 173.152 173.152 175.506 -2.354 18953 6967 1 8 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.394 -0.711 18953 6968 1 8 . 1 1 46 46 TYR CB C 46 41.025 41.025 41.918 -0.893 18953 6969 1 8 . 1 1 46 46 TYR H H 46 8.145 8.145 9.356 -1.211 18953 6970 1 8 . 1 1 47 47 ASP N N 47 119.783 119.783 122.801 -3.018 18953 6971 1 8 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.653 0.232 18953 6972 1 8 . 1 1 47 47 ASP C C 47 176.040 176.040 175.534 0.506 18953 6973 1 8 . 1 1 47 47 ASP CA C 47 53.826 53.826 55.146 -1.320 18953 6974 1 8 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.796 -0.729 18953 6975 1 8 . 1 1 47 47 ASP H H 47 8.690 8.690 8.744 -0.054 18953 6976 1 8 . 1 1 48 48 ARG N N 48 116.008 116.008 116.753 -0.745 18953 6977 1 8 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.679 0.059 18953 6978 1 8 . 1 1 48 48 ARG C C 48 175.495 175.495 175.217 0.278 18953 6979 1 8 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.471 -0.126 18953 6980 1 8 . 1 1 48 48 ARG CB C 48 34.662 34.662 33.773 0.889 18953 6981 1 8 . 1 1 48 48 ARG H H 48 7.627 7.627 7.937 -0.310 18953 6982 1 8 . 1 1 49 49 THR N N 49 110.526 110.526 114.430 -3.904 18953 6983 1 8 . 1 1 49 49 THR HA H 49 3.790 3.790 4.161 -0.371 18953 6984 1 8 . 1 1 49 49 THR C C 49 176.951 176.951 174.947 2.004 18953 6985 1 8 . 1 1 49 49 THR CA C 49 62.112 62.112 62.670 -0.558 18953 6986 1 8 . 1 1 49 49 THR CB C 49 70.189 70.189 68.970 1.219 18953 6987 1 8 . 1 1 49 49 THR H H 49 8.173 8.173 8.353 -0.180 18953 6988 1 8 . 1 1 50 50 ASN N N 50 112.515 112.515 119.467 -6.952 18953 6989 1 8 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.546 -0.297 18953 6990 1 8 . 1 1 50 50 ASN C C 50 178.172 178.172 173.686 4.486 18953 6991 1 8 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.547 0.830 18953 6992 1 8 . 1 1 50 50 ASN CB C 50 36.907 36.907 37.605 -0.698 18953 6993 1 8 . 1 1 50 50 ASN H H 50 9.654 9.654 7.996 1.658 18953 6994 1 8 . 1 1 51 51 PHE N N 51 110.557 110.557 109.213 1.344 18953 6995 1 8 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.809 -0.159 18953 6996 1 8 . 1 1 51 51 PHE C C 51 176.292 176.292 173.837 2.455 18953 6997 1 8 . 1 1 51 51 PHE CA C 51 55.668 55.668 58.330 -2.662 18953 6998 1 8 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.313 0.619 18953 6999 1 8 . 1 1 51 51 PHE H H 51 7.568 7.568 7.736 -0.168 18953 7000 1 8 . 1 1 52 52 MET N N 52 117.547 117.547 117.106 0.441 18953 7001 1 8 . 1 1 52 52 MET HA H 52 4.859 4.859 4.964 -0.105 18953 7002 1 8 . 1 1 52 52 MET C C 52 177.399 177.399 175.384 2.015 18953 7003 1 8 . 1 1 52 52 MET CA C 52 53.946 53.946 54.826 -0.880 18953 7004 1 8 . 1 1 52 52 MET CB C 52 35.335 35.335 36.807 -1.472 18953 7005 1 8 . 1 1 52 52 MET H H 52 6.355 6.355 7.639 -1.284 18953 7006 1 8 . 1 1 53 53 GLY N N 53 103.445 103.445 106.560 -3.115 18953 7007 1 8 . 1 1 53 53 GLY C C 53 175.327 175.327 174.032 1.295 18953 7008 1 8 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.837 -0.254 18953 7009 1 8 . 1 1 53 53 GLY H H 53 8.256 8.256 8.586 -0.330 18953 7010 1 8 . 1 1 54 54 ARG N N 54 124.195 124.195 122.544 1.651 18953 7011 1 8 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.002 0.160 18953 7012 1 8 . 1 1 54 54 ARG C C 54 177.235 177.235 175.709 1.526 18953 7013 1 8 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.149 0.051 18953 7014 1 8 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.561 0.654 18953 7015 1 8 . 1 1 54 54 ARG H H 54 9.034 9.034 8.566 0.468 18953 7016 1 8 . 1 1 55 55 GLN N N 55 118.867 118.867 122.118 -3.251 18953 7017 1 8 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.827 0.192 18953 7018 1 8 . 1 1 55 55 GLN C C 55 176.166 176.166 175.019 1.147 18953 7019 1 8 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.712 -1.598 18953 7020 1 8 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.248 1.223 18953 7021 1 8 . 1 1 55 55 GLN H H 55 7.657 7.657 8.199 -0.542 18953 7022 1 8 . 1 1 56 56 TYR N N 56 117.323 117.323 122.525 -5.202 18953 7023 1 8 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.719 -0.269 18953 7024 1 8 . 1 1 56 56 TYR C C 56 177.276 177.276 174.374 2.902 18953 7025 1 8 . 1 1 56 56 TYR CA C 56 57.213 57.213 57.131 0.082 18953 7026 1 8 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.246 -0.686 18953 7027 1 8 . 1 1 56 56 TYR H H 56 8.704 8.704 8.929 -0.225 18953 7028 1 8 . 1 1 57 57 PHE N N 57 125.557 125.557 122.691 2.866 18953 7029 1 8 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.973 0.244 18953 7030 1 8 . 1 1 57 57 PHE C C 57 176.412 176.412 174.117 2.295 18953 7031 1 8 . 1 1 57 57 PHE CA C 57 58.371 58.371 56.175 2.196 18953 7032 1 8 . 1 1 57 57 PHE CB C 57 40.989 40.989 39.385 1.604 18953 7033 1 8 . 1 1 57 57 PHE H H 57 8.600 8.600 8.896 -0.296 18953 7034 1 8 . 1 1 58 58 LEU N N 58 129.141 129.141 126.687 2.454 18953 7035 1 8 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.493 -0.138 18953 7036 1 8 . 1 1 58 58 LEU C C 58 177.356 177.356 176.002 1.354 18953 7037 1 8 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.873 -0.023 18953 7038 1 8 . 1 1 58 58 LEU CB C 58 44.886 44.886 44.002 0.884 18953 7039 1 8 . 1 1 58 58 LEU H H 58 8.969 8.969 9.107 -0.138 18953 7040 1 8 . 1 1 59 59 ARG N N 59 118.569 118.569 124.348 -5.779 18953 7041 1 8 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.677 -0.114 18953 7042 1 8 . 1 1 59 59 ARG C C 59 175.341 175.341 175.802 -0.461 18953 7043 1 8 . 1 1 59 59 ARG CA C 59 53.734 53.734 54.870 -1.136 18953 7044 1 8 . 1 1 59 59 ARG CB C 59 32.396 32.396 32.726 -0.330 18953 7045 1 8 . 1 1 59 59 ARG H H 59 7.107 7.107 8.307 -1.200 18953 7046 1 8 . 1 1 60 60 ARG N N 60 121.635 121.635 123.368 -1.733 18953 7047 1 8 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.965 -0.000 18953 7048 1 8 . 1 1 60 60 ARG C C 60 175.525 175.525 175.338 0.187 18953 7049 1 8 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.801 0.153 18953 7050 1 8 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.728 1.162 18953 7051 1 8 . 1 1 60 60 ARG H H 60 8.258 8.258 8.137 0.121 18953 7052 1 8 . 1 1 61 61 GLY N N 61 112.955 112.955 114.149 -1.194 18953 7053 1 8 . 1 1 61 61 GLY C C 61 180.518 180.518 171.240 9.278 18953 7054 1 8 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.612 0.066 18953 7055 1 8 . 1 1 61 61 GLY H H 61 8.706 8.706 7.901 0.805 18953 7056 1 8 . 1 1 62 62 GLU N N 62 117.563 117.563 119.255 -1.692 18953 7057 1 8 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.493 0.056 18953 7058 1 8 . 1 1 62 62 GLU C C 62 176.249 176.249 175.077 1.172 18953 7059 1 8 . 1 1 62 62 GLU CA C 62 55.813 55.813 54.507 1.306 18953 7060 1 8 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.512 1.332 18953 7061 1 8 . 1 1 62 62 GLU H H 62 8.161 8.161 8.210 -0.049 18953 7062 1 8 . 1 1 63 63 TYR N N 63 119.057 119.057 125.298 -6.241 18953 7063 1 8 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.923 0.253 18953 7064 1 8 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.005 -0.732 18953 7065 1 8 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.624 -1.576 18953 7066 1 8 . 1 1 63 63 TYR H H 63 8.827 8.827 8.849 -0.022 18953 7067 1 8 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.076 -0.392 18953 7068 1 8 . 1 1 64 64 PRO CA C 64 64.970 64.970 63.912 1.058 18953 7069 1 8 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.352 -0.217 18953 7070 1 8 . 1 1 65 65 ASP N N 65 118.810 118.810 114.693 4.117 18953 7071 1 8 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.165 -0.118 18953 7072 1 8 . 1 1 65 65 ASP C C 65 174.175 174.175 174.469 -0.294 18953 7073 1 8 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.694 -0.120 18953 7074 1 8 . 1 1 65 65 ASP CB C 65 39.805 39.805 43.530 -3.725 18953 7075 1 8 . 1 1 65 65 ASP H H 65 8.600 8.600 7.580 1.020 18953 7076 1 8 . 1 1 66 66 TYR N N 66 119.662 119.662 119.223 0.439 18953 7077 1 8 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.893 -0.492 18953 7078 1 8 . 1 1 66 66 TYR C C 66 175.431 175.431 174.116 1.315 18953 7079 1 8 . 1 1 66 66 TYR CA C 66 60.973 60.973 56.429 4.544 18953 7080 1 8 . 1 1 66 66 TYR CB C 66 38.024 38.024 38.696 -0.672 18953 7081 1 8 . 1 1 66 66 TYR H H 66 6.530 6.530 8.132 -1.602 18953 7082 1 8 . 1 1 67 67 MET N N 67 121.502 121.502 119.488 2.014 18953 7083 1 8 . 1 1 67 67 MET HA H 67 3.626 3.626 4.549 -0.923 18953 7084 1 8 . 1 1 67 67 MET C C 67 172.742 172.742 177.429 -4.687 18953 7085 1 8 . 1 1 67 67 MET CA C 67 59.998 59.998 56.576 3.422 18953 7086 1 8 . 1 1 67 67 MET CB C 67 32.064 32.064 34.288 -2.224 18953 7087 1 8 . 1 1 67 67 MET H H 67 8.299 8.299 7.501 0.798 18953 7088 1 8 . 1 1 68 68 ARG N N 68 116.824 116.824 117.403 -0.579 18953 7089 1 8 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.405 -0.250 18953 7090 1 8 . 1 1 68 68 ARG C C 68 171.982 171.982 177.965 -5.983 18953 7091 1 8 . 1 1 68 68 ARG CA C 68 58.600 58.600 57.094 1.506 18953 7092 1 8 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.085 0.971 18953 7093 1 8 . 1 1 68 68 ARG H H 68 6.919 6.919 8.154 -1.235 18953 7094 1 8 . 1 1 69 69 THR N N 69 111.292 111.292 113.465 -2.173 18953 7095 1 8 . 1 1 69 69 THR HA H 69 4.101 4.101 4.222 -0.121 18953 7096 1 8 . 1 1 69 69 THR C C 69 174.584 174.584 174.951 -0.367 18953 7097 1 8 . 1 1 69 69 THR CA C 69 65.512 65.512 64.980 0.533 18953 7098 1 8 . 1 1 69 69 THR CB C 69 68.821 68.821 68.970 -0.149 18953 7099 1 8 . 1 1 69 69 THR H H 69 8.020 8.020 8.278 -0.258 18953 7100 1 8 . 1 1 70 70 MET N N 70 117.481 117.481 117.781 -0.300 18953 7101 1 8 . 1 1 70 70 MET HA H 70 4.496 4.496 4.585 -0.089 18953 7102 1 8 . 1 1 70 70 MET C C 70 175.015 175.015 175.511 -0.496 18953 7103 1 8 . 1 1 70 70 MET CA C 70 56.029 56.029 56.061 -0.032 18953 7104 1 8 . 1 1 70 70 MET CB C 70 33.013 33.013 35.056 -2.043 18953 7105 1 8 . 1 1 70 70 MET H H 70 8.315 8.315 7.591 0.724 18953 7106 1 8 . 1 1 71 71 GLY N N 71 108.537 108.537 108.651 -0.114 18953 7107 1 8 . 1 1 71 71 GLY C C 71 176.534 176.534 173.354 3.180 18953 7108 1 8 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.242 1.968 18953 7109 1 8 . 1 1 71 71 GLY H H 71 7.352 7.352 7.759 -0.407 18953 7110 1 8 . 1 1 72 72 MET N N 72 118.363 118.363 117.795 0.568 18953 7111 1 8 . 1 1 72 72 MET HA H 72 4.375 4.375 4.765 -0.390 18953 7112 1 8 . 1 1 72 72 MET C C 72 176.034 176.034 175.549 0.485 18953 7113 1 8 . 1 1 72 72 MET CA C 72 55.884 55.884 54.268 1.616 18953 7114 1 8 . 1 1 72 72 MET CB C 72 35.756 35.756 35.361 0.395 18953 7115 1 8 . 1 1 72 72 MET H H 72 7.888 7.888 7.476 0.412 18953 7116 1 8 . 1 1 73 73 ASN N N 73 119.052 119.052 123.604 -4.552 18953 7117 1 8 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.846 -0.125 18953 7118 1 8 . 1 1 73 73 ASN C C 73 177.307 177.307 174.416 2.891 18953 7119 1 8 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.893 0.973 18953 7120 1 8 . 1 1 73 73 ASN CB C 73 39.872 39.872 38.031 1.841 18953 7121 1 8 . 1 1 73 73 ASN H H 73 8.956 8.956 8.890 0.066 18953 7122 1 8 . 1 1 74 74 ASP N N 74 118.536 118.536 116.454 2.082 18953 7123 1 8 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.621 0.255 18953 7124 1 8 . 1 1 74 74 ASP C C 74 177.595 177.595 174.398 3.197 18953 7125 1 8 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.477 -0.931 18953 7126 1 8 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.050 2.994 18953 7127 1 8 . 1 1 74 74 ASP H H 74 7.831 7.831 7.722 0.109 18953 7128 1 8 . 1 1 75 75 CYS N N 75 116.378 116.378 116.271 0.107 18953 7129 1 8 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.115 -0.454 18953 7130 1 8 . 1 1 75 75 CYS C C 75 177.301 177.301 175.327 1.974 18953 7131 1 8 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.406 1.666 18953 7132 1 8 . 1 1 75 75 CYS CB C 75 29.613 29.613 31.041 -1.427 18953 7133 1 8 . 1 1 75 75 CYS H H 75 8.527 8.527 8.451 0.076 18953 7134 1 8 . 1 1 76 76 VAL N N 76 116.516 116.516 119.075 -2.559 18953 7135 1 8 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.091 -0.181 18953 7136 1 8 . 1 1 76 76 VAL C C 76 175.906 175.906 175.982 -0.076 18953 7137 1 8 . 1 1 76 76 VAL CA C 76 63.823 63.823 63.733 0.090 18953 7138 1 8 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.521 0.184 18953 7139 1 8 . 1 1 76 76 VAL H H 76 7.296 7.296 8.418 -1.122 18953 7140 1 8 . 1 1 77 77 ARG N N 77 120.435 120.435 122.285 -1.850 18953 7141 1 8 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.500 -0.120 18953 7142 1 8 . 1 1 77 77 ARG C C 77 175.519 175.519 175.991 -0.472 18953 7143 1 8 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.536 -1.128 18953 7144 1 8 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.019 2.193 18953 7145 1 8 . 1 1 77 77 ARG H H 77 8.923 8.923 8.778 0.145 18953 7146 1 8 . 1 1 78 78 SER N N 78 110.315 110.315 113.959 -3.644 18953 7147 1 8 . 1 1 78 78 SER HA H 78 4.533 4.533 5.505 -0.972 18953 7148 1 8 . 1 1 78 78 SER C C 78 177.603 177.603 172.744 4.859 18953 7149 1 8 . 1 1 78 78 SER CA C 78 59.512 59.512 56.680 2.832 18953 7150 1 8 . 1 1 78 78 SER CB C 78 65.883 65.883 66.855 -0.972 18953 7151 1 8 . 1 1 78 78 SER H H 78 8.100 8.100 8.073 0.027 18953 7152 1 8 . 1 1 79 79 CYS N N 79 112.901 112.901 115.387 -2.486 18953 7153 1 8 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.427 0.890 18953 7154 1 8 . 1 1 79 79 CYS C C 79 179.601 179.601 172.598 7.003 18953 7155 1 8 . 1 1 79 79 CYS CA C 79 56.479 56.479 58.012 -1.533 18953 7156 1 8 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.169 0.181 18953 7157 1 8 . 1 1 79 79 CYS H H 79 9.438 9.438 9.358 0.080 18953 7158 1 8 . 1 1 80 80 ARG N N 80 122.877 122.877 122.101 0.776 18953 7159 1 8 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.736 0.291 18953 7160 1 8 . 1 1 80 80 ARG C C 80 176.888 176.888 173.655 3.233 18953 7161 1 8 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.415 0.271 18953 7162 1 8 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.298 0.388 18953 7163 1 8 . 1 1 80 80 ARG H H 80 10.005 10.005 8.953 1.052 18953 7164 1 8 . 1 1 81 81 MET N N 81 125.699 125.699 124.526 1.173 18953 7165 1 8 . 1 1 81 81 MET HA H 81 3.494 3.494 4.556 -1.062 18953 7166 1 8 . 1 1 81 81 MET C C 81 176.369 176.369 174.661 1.708 18953 7167 1 8 . 1 1 81 81 MET CA C 81 55.587 55.587 55.407 0.180 18953 7168 1 8 . 1 1 81 81 MET CB C 81 34.241 34.241 35.421 -1.180 18953 7169 1 8 . 1 1 81 81 MET H H 81 9.198 9.198 9.376 -0.178 18953 7170 1 8 . 1 1 82 82 ILE N N 82 131.119 131.119 125.498 5.621 18953 7171 1 8 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.378 -0.344 18953 7172 1 8 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.282 0.568 18953 7173 1 8 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.915 0.278 18953 7174 1 8 . 1 1 82 82 ILE H H 82 7.744 7.744 8.342 -0.598 18953 7175 1 8 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.301 -0.100 18953 7176 1 8 . 1 1 83 83 PRO C C 83 176.434 176.434 176.355 0.079 18953 7177 1 8 . 1 1 83 83 PRO CA C 83 62.426 62.426 62.128 0.298 18953 7178 1 8 . 1 1 83 83 PRO CB C 83 32.394 32.394 31.944 0.451 18953 7179 1 8 . 1 1 84 84 LEU N N 84 120.509 120.509 124.241 -3.732 18953 7180 1 8 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.412 -0.172 18953 7181 1 8 . 1 1 84 84 LEU C C 84 174.899 174.899 175.924 -1.025 18953 7182 1 8 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.082 0.445 18953 7183 1 8 . 1 1 84 84 LEU CB C 84 41.560 41.560 40.227 1.333 18953 7184 1 8 . 1 1 84 84 LEU H H 84 7.873 7.873 8.272 -0.399 18953 7185 1 8 . 1 1 85 85 HIS N N 85 125.245 125.245 118.492 6.753 18953 7186 1 8 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.692 -0.108 18953 7187 1 8 . 1 1 85 85 HIS CA C 85 56.167 56.167 54.307 1.860 18953 7188 1 8 . 1 1 85 85 HIS CB C 85 32.644 32.644 31.935 0.709 18953 7189 1 8 . 1 1 85 85 HIS H H 85 8.600 8.600 7.521 1.079 18953 7190 1 8 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.650 0.111 18953 7191 1 8 . 1 1 86 86 HIS C C 86 177.250 177.250 174.881 2.369 18953 7192 1 8 . 1 1 86 86 HIS CA C 86 54.709 54.709 55.326 -0.617 18953 7193 1 8 . 1 1 86 86 HIS CB C 86 29.670 29.670 31.224 -1.554 18953 7194 1 8 . 1 1 86 86 HIS H H 86 8.500 8.500 8.626 -0.126 18953 7195 1 8 . 1 1 87 87 GLY N N 87 107.909 107.909 112.433 -4.524 18953 7196 1 8 . 1 1 87 87 GLY C C 87 178.627 178.627 173.925 4.702 18953 7197 1 8 . 1 1 87 87 GLY CA C 87 44.861 44.861 44.632 0.229 18953 7198 1 8 . 1 1 87 87 GLY H H 87 6.662 6.662 8.492 -1.830 18953 7199 1 8 . 1 1 88 88 SER N N 88 116.742 116.742 116.160 0.582 18953 7200 1 8 . 1 1 88 88 SER HA H 88 4.528 4.528 4.743 -0.215 18953 7201 1 8 . 1 1 88 88 SER C C 88 178.527 178.527 172.896 5.631 18953 7202 1 8 . 1 1 88 88 SER CA C 88 58.279 58.279 57.870 0.409 18953 7203 1 8 . 1 1 88 88 SER CB C 88 64.360 64.360 66.201 -1.841 18953 7204 1 8 . 1 1 88 88 SER H H 88 8.235 8.235 8.187 0.048 18953 7205 1 8 . 1 1 89 89 PHE N N 89 119.985 119.985 120.833 -0.848 18953 7206 1 8 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.238 -0.670 18953 7207 1 8 . 1 1 89 89 PHE C C 89 176.551 176.551 175.710 0.841 18953 7208 1 8 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.408 -0.673 18953 7209 1 8 . 1 1 89 89 PHE CB C 89 41.321 41.321 41.830 -0.509 18953 7210 1 8 . 1 1 89 89 PHE H H 89 8.478 8.478 8.678 -0.200 18953 7211 1 8 . 1 1 90 90 LYS N N 90 122.179 122.179 126.997 -4.818 18953 7212 1 8 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.850 0.306 18953 7213 1 8 . 1 1 90 90 LYS C C 90 177.501 177.501 173.755 3.746 18953 7214 1 8 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.663 1.149 18953 7215 1 8 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.535 -0.834 18953 7216 1 8 . 1 1 90 90 LYS H H 90 9.130 9.130 8.789 0.341 18953 7217 1 8 . 1 1 91 91 MET N N 91 127.037 127.037 126.316 0.721 18953 7218 1 8 . 1 1 91 91 MET HA H 91 4.835 4.835 4.907 -0.072 18953 7219 1 8 . 1 1 91 91 MET C C 91 179.276 179.276 173.989 5.287 18953 7220 1 8 . 1 1 91 91 MET CA C 91 54.527 54.527 53.760 0.767 18953 7221 1 8 . 1 1 91 91 MET CB C 91 36.920 36.920 36.241 0.679 18953 7222 1 8 . 1 1 91 91 MET H H 91 9.202 9.202 8.915 0.287 18953 7223 1 8 . 1 1 92 92 ARG N N 92 121.520 121.520 126.180 -4.660 18953 7224 1 8 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.524 0.344 18953 7225 1 8 . 1 1 92 92 ARG C C 92 177.432 177.432 174.892 2.540 18953 7226 1 8 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.273 -0.275 18953 7227 1 8 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.495 2.990 18953 7228 1 8 . 1 1 92 92 ARG H H 92 8.776 8.776 9.107 -0.331 18953 7229 1 8 . 1 1 93 93 LEU N N 93 124.749 124.749 124.662 0.087 18953 7230 1 8 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.468 -0.193 18953 7231 1 8 . 1 1 93 93 LEU C C 93 176.662 176.662 175.533 1.129 18953 7232 1 8 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.771 -0.075 18953 7233 1 8 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.386 0.504 18953 7234 1 8 . 1 1 93 93 LEU H H 93 8.841 8.841 8.825 0.016 18953 7235 1 8 . 1 1 94 94 TYR N N 94 116.673 116.673 120.927 -4.254 18953 7236 1 8 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.840 0.584 18953 7237 1 8 . 1 1 94 94 TYR C C 94 175.232 175.232 175.446 -0.214 18953 7238 1 8 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.189 -0.128 18953 7239 1 8 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.217 -0.854 18953 7240 1 8 . 1 1 94 94 TYR H H 94 8.161 8.161 9.241 -1.080 18953 7241 1 8 . 1 1 95 95 GLU N N 95 121.556 121.556 123.799 -2.243 18953 7242 1 8 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.221 -0.187 18953 7243 1 8 . 1 1 95 95 GLU C C 95 174.587 174.587 176.439 -1.852 18953 7244 1 8 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.525 0.435 18953 7245 1 8 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.211 3.313 18953 7246 1 8 . 1 1 95 95 GLU H H 95 8.537 8.537 8.412 0.125 18953 7247 1 8 . 1 1 96 96 HIS N N 96 113.214 113.214 117.235 -4.021 18953 7248 1 8 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.734 0.572 18953 7249 1 8 . 1 1 96 96 HIS C C 96 175.830 175.830 175.781 0.049 18953 7250 1 8 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.986 -0.840 18953 7251 1 8 . 1 1 96 96 HIS CB C 96 33.364 33.364 31.992 1.372 18953 7252 1 8 . 1 1 96 96 HIS H H 96 8.154 8.154 7.695 0.459 18953 7253 1 8 . 1 1 97 97 SER N N 97 115.997 115.997 116.159 -0.162 18953 7254 1 8 . 1 1 97 97 SER HA H 97 4.196 4.196 4.678 -0.482 18953 7255 1 8 . 1 1 97 97 SER C C 97 177.588 177.588 175.136 2.452 18953 7256 1 8 . 1 1 97 97 SER CA C 97 59.180 59.180 60.656 -1.476 18953 7257 1 8 . 1 1 97 97 SER CB C 97 63.740 63.740 63.634 0.106 18953 7258 1 8 . 1 1 97 97 SER H H 97 8.728 8.728 8.639 0.089 18953 7259 1 8 . 1 1 98 98 ASP N N 98 116.560 116.560 120.025 -3.465 18953 7260 1 8 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.215 -0.250 18953 7261 1 8 . 1 1 98 98 ASP C C 98 176.991 176.991 175.457 1.534 18953 7262 1 8 . 1 1 98 98 ASP CA C 98 56.873 56.873 56.896 -0.023 18953 7263 1 8 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.763 -0.249 18953 7264 1 8 . 1 1 98 98 ASP H H 98 9.714 9.714 9.215 0.499 18953 7265 1 8 . 1 1 99 99 MET N N 99 112.109 112.109 119.895 -7.786 18953 7266 1 8 . 1 1 99 99 MET HA H 99 2.689 2.689 3.908 -1.219 18953 7267 1 8 . 1 1 99 99 MET C C 99 176.133 176.133 174.756 1.377 18953 7268 1 8 . 1 1 99 99 MET CA C 99 56.596 56.596 54.683 1.913 18953 7269 1 8 . 1 1 99 99 MET CB C 99 27.203 27.203 33.677 -6.474 18953 7270 1 8 . 1 1 99 99 MET H H 99 8.425 8.425 7.967 0.458 18953 7271 1 8 . 1 1 100 100 GLY N N 100 104.572 104.572 107.978 -3.406 18953 7272 1 8 . 1 1 100 100 GLY C C 100 177.855 177.855 174.191 3.664 18953 7273 1 8 . 1 1 100 100 GLY CA C 100 44.345 44.345 43.765 0.580 18953 7274 1 8 . 1 1 100 100 GLY H H 100 6.670 6.670 7.541 -0.871 18953 7275 1 8 . 1 1 101 101 GLY N N 101 105.792 105.792 107.516 -1.724 18953 7276 1 8 . 1 1 101 101 GLY C C 101 177.525 177.525 174.011 3.514 18953 7277 1 8 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.282 0.824 18953 7278 1 8 . 1 1 101 101 GLY H H 101 8.446 8.446 8.035 0.411 18953 7279 1 8 . 1 1 102 102 ARG N N 102 121.688 121.688 120.834 0.854 18953 7280 1 8 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.142 -0.144 18953 7281 1 8 . 1 1 102 102 ARG C C 102 177.803 177.803 176.448 1.355 18953 7282 1 8 . 1 1 102 102 ARG CA C 102 58.368 58.368 56.235 2.133 18953 7283 1 8 . 1 1 102 102 ARG CB C 102 31.684 31.684 30.904 0.780 18953 7284 1 8 . 1 1 102 102 ARG H H 102 8.785 8.785 8.090 0.695 18953 7285 1 8 . 1 1 103 103 MET N N 103 122.371 122.371 124.263 -1.892 18953 7286 1 8 . 1 1 103 103 MET HA H 103 4.754 4.754 4.650 0.104 18953 7287 1 8 . 1 1 103 103 MET C C 103 175.490 175.490 175.586 -0.096 18953 7288 1 8 . 1 1 103 103 MET CA C 103 53.993 53.993 54.856 -0.863 18953 7289 1 8 . 1 1 103 103 MET CB C 103 34.860 34.860 32.985 1.875 18953 7290 1 8 . 1 1 103 103 MET H H 103 7.905 7.905 8.447 -0.542 18953 7291 1 8 . 1 1 104 104 MET N N 104 127.629 127.629 123.812 3.817 18953 7292 1 8 . 1 1 104 104 MET HA H 104 4.318 4.318 4.543 -0.225 18953 7293 1 8 . 1 1 104 104 MET C C 104 177.870 177.870 174.223 3.647 18953 7294 1 8 . 1 1 104 104 MET CA C 104 54.080 54.080 54.147 -0.066 18953 7295 1 8 . 1 1 104 104 MET CB C 104 35.315 35.315 35.333 -0.018 18953 7296 1 8 . 1 1 104 104 MET H H 104 8.796 8.796 8.259 0.537 18953 7297 1 8 . 1 1 105 105 GLU N N 105 123.753 123.753 122.558 1.195 18953 7298 1 8 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.962 -0.116 18953 7299 1 8 . 1 1 105 105 GLU C C 105 176.871 176.871 175.243 1.628 18953 7300 1 8 . 1 1 105 105 GLU CA C 105 55.688 55.688 54.732 0.956 18953 7301 1 8 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.423 2.092 18953 7302 1 8 . 1 1 105 105 GLU H H 105 8.467 8.467 8.491 -0.024 18953 7303 1 8 . 1 1 106 106 LEU N N 106 125.076 125.076 124.847 0.229 18953 7304 1 8 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.888 0.000 18953 7305 1 8 . 1 1 106 106 LEU C C 106 175.666 175.666 175.041 0.625 18953 7306 1 8 . 1 1 106 106 LEU CA C 106 54.900 54.900 55.034 -0.134 18953 7307 1 8 . 1 1 106 106 LEU CB C 106 46.797 46.797 45.640 1.157 18953 7308 1 8 . 1 1 106 106 LEU H H 106 8.933 8.933 8.912 0.021 18953 7309 1 8 . 1 1 107 107 MET N N 107 120.889 120.889 123.810 -2.921 18953 7310 1 8 . 1 1 107 107 MET HA H 107 5.152 5.152 4.945 0.207 18953 7311 1 8 . 1 1 107 107 MET C C 107 177.873 177.873 174.248 3.625 18953 7312 1 8 . 1 1 107 107 MET CA C 107 55.430 55.430 55.081 0.349 18953 7313 1 8 . 1 1 107 107 MET CB C 107 35.107 35.107 33.399 1.708 18953 7314 1 8 . 1 1 107 107 MET H H 107 9.099 9.099 9.009 0.090 18953 7315 1 8 . 1 1 108 108 ASP N N 108 120.261 120.261 115.807 4.454 18953 7316 1 8 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.804 -0.355 18953 7317 1 8 . 1 1 108 108 ASP C C 108 178.998 178.998 174.747 4.251 18953 7318 1 8 . 1 1 108 108 ASP CA C 108 51.953 51.953 52.522 -0.569 18953 7319 1 8 . 1 1 108 108 ASP CB C 108 43.335 43.335 42.174 1.161 18953 7320 1 8 . 1 1 108 108 ASP H H 108 7.874 7.874 7.850 0.024 18953 7321 1 8 . 1 1 109 109 ASP N N 109 115.191 115.191 119.173 -3.982 18953 7322 1 8 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.759 0.079 18953 7323 1 8 . 1 1 109 109 ASP C C 109 174.768 174.768 175.182 -0.414 18953 7324 1 8 . 1 1 109 109 ASP CA C 109 55.106 55.106 54.016 1.090 18953 7325 1 8 . 1 1 109 109 ASP CB C 109 41.058 41.058 42.120 -1.062 18953 7326 1 8 . 1 1 109 109 ASP H H 109 8.065 8.065 8.398 -0.333 18953 7327 1 8 . 1 1 110 110 CYS N N 110 120.716 120.716 125.280 -4.564 18953 7328 1 8 . 1 1 110 110 CYS HA H 110 5.139 5.139 5.044 0.095 18953 7329 1 8 . 1 1 110 110 CYS CA C 110 55.817 55.817 54.978 0.839 18953 7330 1 8 . 1 1 110 110 CYS CB C 110 29.730 29.730 28.467 1.263 18953 7331 1 8 . 1 1 110 110 CYS H H 110 9.583 9.583 8.444 1.139 18953 7332 1 8 . 1 1 111 111 PRO HA H 111 3.971 3.971 3.872 0.099 18953 7333 1 8 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.380 -0.236 18953 7334 1 8 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.277 -0.368 18953 7335 1 8 . 1 1 112 112 ASN N N 112 116.300 116.300 115.261 1.039 18953 7336 1 8 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.752 0.023 18953 7337 1 8 . 1 1 112 112 ASN C C 112 175.948 175.948 175.238 0.710 18953 7338 1 8 . 1 1 112 112 ASN CA C 112 54.121 54.121 51.239 2.881 18953 7339 1 8 . 1 1 112 112 ASN CB C 112 38.709 38.709 38.058 0.651 18953 7340 1 8 . 1 1 112 112 ASN H H 112 7.385 7.385 7.683 -0.298 18953 7341 1 8 . 1 1 113 113 LEU N N 113 129.895 129.895 123.204 6.691 18953 7342 1 8 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.134 0.023 18953 7343 1 8 . 1 1 113 113 LEU C C 113 173.709 173.709 178.231 -4.522 18953 7344 1 8 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.702 1.187 18953 7345 1 8 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.262 0.189 18953 7346 1 8 . 1 1 113 113 LEU H H 113 8.154 8.154 8.505 -0.351 18953 7347 1 8 . 1 1 114 114 MET N N 114 120.939 120.939 118.455 2.484 18953 7348 1 8 . 1 1 114 114 MET HA H 114 4.204 4.204 4.082 0.122 18953 7349 1 8 . 1 1 114 114 MET C C 114 171.942 171.942 177.113 -5.171 18953 7350 1 8 . 1 1 114 114 MET CA C 114 58.354 58.354 59.294 -0.939 18953 7351 1 8 . 1 1 114 114 MET CB C 114 31.118 31.118 32.327 -1.209 18953 7352 1 8 . 1 1 114 114 MET H H 114 8.421 8.421 8.293 0.128 18953 7353 1 8 . 1 1 115 115 ASP N N 115 119.204 119.204 117.825 1.379 18953 7354 1 8 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.574 -0.301 18953 7355 1 8 . 1 1 115 115 ASP C C 115 174.228 174.228 177.735 -3.507 18953 7356 1 8 . 1 1 115 115 ASP CA C 115 56.737 56.737 56.160 0.577 18953 7357 1 8 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.590 0.031 18953 7358 1 8 . 1 1 115 115 ASP H H 115 7.695 7.695 7.755 -0.060 18953 7359 1 8 . 1 1 116 116 ARG N N 116 116.937 116.937 118.891 -1.954 18953 7360 1 8 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.049 0.009 18953 7361 1 8 . 1 1 116 116 ARG C C 116 174.084 174.084 177.505 -3.421 18953 7362 1 8 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.432 -0.593 18953 7363 1 8 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.766 1.333 18953 7364 1 8 . 1 1 116 116 ARG H H 116 7.118 7.118 7.292 -0.174 18953 7365 1 8 . 1 1 117 117 PHE N N 117 113.914 113.914 115.739 -1.825 18953 7366 1 8 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.688 0.437 18953 7367 1 8 . 1 1 117 117 PHE C C 117 175.681 175.681 175.294 0.387 18953 7368 1 8 . 1 1 117 117 PHE CA C 117 57.040 57.040 57.134 -0.094 18953 7369 1 8 . 1 1 117 117 PHE CB C 117 41.881 41.881 39.270 2.611 18953 7370 1 8 . 1 1 117 117 PHE H H 117 8.641 8.641 7.862 0.779 18953 7371 1 8 . 1 1 118 118 ASN N N 118 117.137 117.137 117.138 -0.001 18953 7372 1 8 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.583 0.263 18953 7373 1 8 . 1 1 118 118 ASN C C 118 177.553 177.553 174.192 3.361 18953 7374 1 8 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.007 1.031 18953 7375 1 8 . 1 1 118 118 ASN CB C 118 38.049 38.049 37.602 0.447 18953 7376 1 8 . 1 1 118 118 ASN H H 118 8.478 8.478 8.041 0.437 18953 7377 1 8 . 1 1 119 119 MET N N 119 114.316 114.316 114.177 0.139 18953 7378 1 8 . 1 1 119 119 MET HA H 119 4.386 4.386 4.777 -0.391 18953 7379 1 8 . 1 1 119 119 MET C C 119 178.321 178.321 173.696 4.625 18953 7380 1 8 . 1 1 119 119 MET CA C 119 55.950 55.950 54.405 1.545 18953 7381 1 8 . 1 1 119 119 MET CB C 119 37.233 37.233 35.734 1.499 18953 7382 1 8 . 1 1 119 119 MET H H 119 7.286 7.286 7.288 -0.002 18953 7383 1 8 . 1 1 120 120 SER N N 120 111.310 111.310 116.116 -4.806 18953 7384 1 8 . 1 1 120 120 SER HA H 120 4.682 4.682 4.801 -0.119 18953 7385 1 8 . 1 1 120 120 SER C C 120 179.047 179.047 173.317 5.730 18953 7386 1 8 . 1 1 120 120 SER CA C 120 57.435 57.435 58.496 -1.061 18953 7387 1 8 . 1 1 120 120 SER CB C 120 65.594 65.594 64.778 0.816 18953 7388 1 8 . 1 1 120 120 SER H H 120 8.361 8.361 8.179 0.182 18953 7389 1 8 . 1 1 121 121 ASP N N 121 120.422 120.422 121.220 -0.798 18953 7390 1 8 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.258 -0.176 18953 7391 1 8 . 1 1 121 121 ASP C C 121 177.532 177.532 174.553 2.979 18953 7392 1 8 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.027 0.603 18953 7393 1 8 . 1 1 121 121 ASP CB C 121 43.513 43.513 41.774 1.739 18953 7394 1 8 . 1 1 121 121 ASP H H 121 6.829 6.829 7.215 -0.386 18953 7395 1 8 . 1 1 122 122 PHE N N 122 120.611 120.611 122.158 -1.547 18953 7396 1 8 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.927 -0.232 18953 7397 1 8 . 1 1 122 122 PHE C C 122 177.316 177.316 175.077 2.239 18953 7398 1 8 . 1 1 122 122 PHE CA C 122 57.660 57.660 56.131 1.529 18953 7399 1 8 . 1 1 122 122 PHE CB C 122 40.871 40.871 40.104 0.767 18953 7400 1 8 . 1 1 122 122 PHE H H 122 8.376 8.376 8.226 0.150 18953 7401 1 8 . 1 1 123 123 HIS N N 123 116.193 116.193 118.159 -1.966 18953 7402 1 8 . 1 1 123 123 HIS HA H 123 4.765 4.765 4.882 -0.117 18953 7403 1 8 . 1 1 123 123 HIS C C 123 176.431 176.431 174.978 1.453 18953 7404 1 8 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.785 0.819 18953 7405 1 8 . 1 1 123 123 HIS CB C 123 33.280 33.280 32.141 1.139 18953 7406 1 8 . 1 1 123 123 HIS H H 123 7.577 7.577 8.718 -1.141 18953 7407 1 8 . 1 1 124 124 SER N N 124 107.332 107.332 112.614 -5.282 18953 7408 1 8 . 1 1 124 124 SER HA H 124 4.698 4.698 5.294 -0.596 18953 7409 1 8 . 1 1 124 124 SER C C 124 178.179 178.179 172.421 5.758 18953 7410 1 8 . 1 1 124 124 SER CA C 124 59.556 59.556 57.921 1.635 18953 7411 1 8 . 1 1 124 124 SER CB C 124 65.667 65.667 65.514 0.153 18953 7412 1 8 . 1 1 124 124 SER H H 124 8.256 8.256 8.458 -0.202 18953 7413 1 8 . 1 1 125 125 CYS N N 125 113.874 113.874 117.888 -4.014 18953 7414 1 8 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.655 -0.104 18953 7415 1 8 . 1 1 125 125 CYS C C 125 179.655 179.655 172.495 7.160 18953 7416 1 8 . 1 1 125 125 CYS CA C 125 57.871 57.871 57.945 -0.074 18953 7417 1 8 . 1 1 125 125 CYS CB C 125 30.586 30.586 30.434 0.152 18953 7418 1 8 . 1 1 125 125 CYS H H 125 9.561 9.561 8.938 0.623 18953 7419 1 8 . 1 1 126 126 HIS N N 126 124.829 124.829 117.988 6.841 18953 7420 1 8 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.179 0.302 18953 7421 1 8 . 1 1 126 126 HIS C C 126 176.575 176.575 173.259 3.316 18953 7422 1 8 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.775 -2.468 18953 7423 1 8 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.836 1.287 18953 7424 1 8 . 1 1 126 126 HIS H H 126 9.858 9.858 9.040 0.818 18953 7425 1 8 . 1 1 127 127 VAL N N 127 128.620 128.620 124.769 3.851 18953 7426 1 8 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.413 -0.539 18953 7427 1 8 . 1 1 127 127 VAL C C 127 176.660 176.660 174.731 1.929 18953 7428 1 8 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.332 2.153 18953 7429 1 8 . 1 1 127 127 VAL CB C 127 30.999 30.999 32.846 -1.847 18953 7430 1 8 . 1 1 127 127 VAL H H 127 9.408 9.408 7.875 1.533 18953 7431 1 8 . 1 1 128 128 MET N N 128 129.466 129.466 126.804 2.662 18953 7432 1 8 . 1 1 128 128 MET HA H 128 3.930 3.930 4.619 -0.689 18953 7433 1 8 . 1 1 128 128 MET C C 128 176.093 176.093 175.787 0.306 18953 7434 1 8 . 1 1 128 128 MET CA C 128 58.109 58.109 56.804 1.305 18953 7435 1 8 . 1 1 128 128 MET CB C 128 34.019 34.019 33.792 0.227 18953 7436 1 8 . 1 1 128 128 MET H H 128 7.906 7.906 8.880 -0.974 18953 7437 1 8 . 1 1 129 129 ASP N N 129 116.435 116.435 113.990 2.445 18953 7438 1 8 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.686 0.146 18953 7439 1 8 . 1 1 129 129 ASP C C 129 174.959 174.959 174.930 0.029 18953 7440 1 8 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.395 -0.215 18953 7441 1 8 . 1 1 129 129 ASP CB C 129 45.131 45.131 43.423 1.708 18953 7442 1 8 . 1 1 129 129 ASP H H 129 8.349 8.349 7.673 0.676 18953 7443 1 8 . 1 1 130 130 GLY N N 130 113.062 113.062 106.881 6.181 18953 7444 1 8 . 1 1 130 130 GLY C C 130 183.642 183.642 171.937 11.705 18953 7445 1 8 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.207 0.265 18953 7446 1 8 . 1 1 130 130 GLY H H 130 8.479 8.479 8.180 0.299 18953 7447 1 8 . 1 1 131 131 HIS N N 131 114.389 114.389 118.999 -4.610 18953 7448 1 8 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.842 0.160 18953 7449 1 8 . 1 1 131 131 HIS C C 131 176.470 176.470 173.470 3.000 18953 7450 1 8 . 1 1 131 131 HIS CA C 131 56.318 56.318 54.876 1.442 18953 7451 1 8 . 1 1 131 131 HIS CB C 131 34.035 34.035 33.217 0.818 18953 7452 1 8 . 1 1 131 131 HIS H H 131 6.228 6.228 8.201 -1.973 18953 7453 1 8 . 1 1 132 132 TRP N N 132 122.333 122.333 122.389 -0.056 18953 7454 1 8 . 1 1 132 132 TRP HA H 132 5.135 5.135 4.959 0.176 18953 7455 1 8 . 1 1 132 132 TRP C C 132 177.557 177.557 174.567 2.990 18953 7456 1 8 . 1 1 132 132 TRP CA C 132 56.896 56.896 55.926 0.970 18953 7457 1 8 . 1 1 132 132 TRP CB C 132 33.795 33.795 31.932 1.863 18953 7458 1 8 . 1 1 132 132 TRP H H 132 8.838 8.838 8.802 0.036 18953 7459 1 8 . 1 1 133 133 LEU N N 133 121.883 121.883 123.528 -1.645 18953 7460 1 8 . 1 1 133 133 LEU HA H 133 5.122 5.122 4.970 0.152 18953 7461 1 8 . 1 1 133 133 LEU C C 133 176.457 176.457 175.863 0.594 18953 7462 1 8 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.113 -0.577 18953 7463 1 8 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.334 3.236 18953 7464 1 8 . 1 1 133 133 LEU H H 133 9.403 9.403 9.018 0.385 18953 7465 1 8 . 1 1 134 134 VAL N N 134 123.013 123.013 122.210 0.803 18953 7466 1 8 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.392 0.167 18953 7467 1 8 . 1 1 134 134 VAL C C 134 177.780 177.780 174.646 3.134 18953 7468 1 8 . 1 1 134 134 VAL CA C 134 60.949 60.949 60.840 0.109 18953 7469 1 8 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.492 -0.404 18953 7470 1 8 . 1 1 134 134 VAL H H 134 8.948 8.948 9.004 -0.056 18953 7471 1 8 . 1 1 135 135 TYR N N 135 122.405 122.405 125.125 -2.720 18953 7472 1 8 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.727 0.813 18953 7473 1 8 . 1 1 135 135 TYR C C 135 172.456 172.456 175.974 -3.518 18953 7474 1 8 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.754 -0.757 18953 7475 1 8 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.361 -0.617 18953 7476 1 8 . 1 1 135 135 TYR H H 135 9.068 9.068 9.456 -0.388 18953 7477 1 8 . 1 1 136 136 GLU N N 136 121.335 121.335 124.693 -3.358 18953 7478 1 8 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.336 -0.233 18953 7479 1 8 . 1 1 136 136 GLU C C 136 176.022 176.022 176.667 -0.645 18953 7480 1 8 . 1 1 136 136 GLU CA C 136 59.896 59.896 58.956 0.940 18953 7481 1 8 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.559 2.368 18953 7482 1 8 . 1 1 136 136 GLU H H 136 9.360 9.360 8.377 0.983 18953 7483 1 8 . 1 1 137 137 GLN N N 137 111.530 111.530 116.396 -4.866 18953 7484 1 8 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.787 0.180 18953 7485 1 8 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.752 0.081 18953 7486 1 8 . 1 1 137 137 GLN CB C 137 29.142 29.142 31.816 -2.674 18953 7487 1 8 . 1 1 137 137 GLN H H 137 7.808 7.808 8.003 -0.195 18953 7488 1 8 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.075 0.067 18953 7489 1 8 . 1 1 138 138 PRO C C 138 176.607 176.607 177.097 -0.490 18953 7490 1 8 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.284 -0.823 18953 7491 1 8 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.430 0.763 18953 7492 1 8 . 1 1 139 139 ASN N N 139 113.240 113.240 117.149 -3.909 18953 7493 1 8 . 1 1 139 139 ASN HA H 139 3.356 3.356 4.050 -0.694 18953 7494 1 8 . 1 1 139 139 ASN C C 139 177.996 177.996 174.147 3.849 18953 7495 1 8 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.338 -0.091 18953 7496 1 8 . 1 1 139 139 ASN CB C 139 36.635 36.635 37.836 -1.200 18953 7497 1 8 . 1 1 139 139 ASN H H 139 9.683 9.683 8.047 1.636 18953 7498 1 8 . 1 1 140 140 TYR N N 140 113.289 113.289 110.028 3.261 18953 7499 1 8 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.048 -0.288 18953 7500 1 8 . 1 1 140 140 TYR C C 140 176.488 176.488 174.743 1.745 18953 7501 1 8 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.732 -3.436 18953 7502 1 8 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.877 -0.917 18953 7503 1 8 . 1 1 140 140 TYR H H 140 8.000 8.000 7.766 0.234 18953 7504 1 8 . 1 1 141 141 THR N N 141 108.766 108.766 114.013 -5.247 18953 7505 1 8 . 1 1 141 141 THR HA H 141 4.697 4.697 4.743 -0.046 18953 7506 1 8 . 1 1 141 141 THR C C 141 178.578 178.578 173.564 5.014 18953 7507 1 8 . 1 1 141 141 THR CA C 141 60.128 60.128 60.927 -0.799 18953 7508 1 8 . 1 1 141 141 THR CB C 141 72.848 72.848 71.766 1.081 18953 7509 1 8 . 1 1 141 141 THR H H 141 6.280 6.280 7.911 -1.631 18953 7510 1 8 . 1 1 142 142 GLY N N 142 106.121 106.121 108.533 -2.412 18953 7511 1 8 . 1 1 142 142 GLY C C 142 177.117 177.117 172.648 4.469 18953 7512 1 8 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.531 -0.364 18953 7513 1 8 . 1 1 142 142 GLY H H 142 8.285 8.285 8.230 0.055 18953 7514 1 8 . 1 1 143 143 ARG N N 143 120.212 120.212 120.718 -0.506 18953 7515 1 8 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.934 0.002 18953 7516 1 8 . 1 1 143 143 ARG C C 143 177.580 177.580 175.948 1.632 18953 7517 1 8 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.577 1.543 18953 7518 1 8 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.810 1.346 18953 7519 1 8 . 1 1 143 143 ARG H H 143 8.583 8.583 8.406 0.177 18953 7520 1 8 . 1 1 144 144 GLN N N 144 119.516 119.516 121.523 -2.007 18953 7521 1 8 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.782 0.109 18953 7522 1 8 . 1 1 144 144 GLN C C 144 176.985 176.985 174.410 2.575 18953 7523 1 8 . 1 1 144 144 GLN CA C 144 53.322 53.322 53.970 -0.648 18953 7524 1 8 . 1 1 144 144 GLN CB C 144 32.645 32.645 29.867 2.778 18953 7525 1 8 . 1 1 144 144 GLN H H 144 7.552 7.552 7.866 -0.314 18953 7526 1 8 . 1 1 145 145 PHE N N 145 114.745 114.745 120.720 -5.975 18953 7527 1 8 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.817 -0.160 18953 7528 1 8 . 1 1 145 145 PHE C C 145 176.969 176.969 174.436 2.533 18953 7529 1 8 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.730 -0.824 18953 7530 1 8 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.841 -0.574 18953 7531 1 8 . 1 1 145 145 PHE H H 145 8.696 8.696 8.844 -0.148 18953 7532 1 8 . 1 1 146 146 TYR N N 146 124.271 124.271 126.307 -2.036 18953 7533 1 8 . 1 1 146 146 TYR HA H 146 5.274 5.274 4.879 0.395 18953 7534 1 8 . 1 1 146 146 TYR C C 146 176.212 176.212 173.934 2.278 18953 7535 1 8 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.643 -1.903 18953 7536 1 8 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.651 -0.417 18953 7537 1 8 . 1 1 146 146 TYR H H 146 8.915 8.915 9.039 -0.124 18953 7538 1 8 . 1 1 147 147 LEU N N 147 103.207 103.207 128.824 -25.617 18953 7539 1 8 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.748 -0.357 18953 7540 1 8 . 1 1 147 147 LEU C C 147 178.198 178.198 175.823 2.375 18953 7541 1 8 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.110 0.859 18953 7542 1 8 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.450 1.695 18953 7543 1 8 . 1 1 147 147 LEU H H 147 9.229 9.229 8.897 0.332 18953 7544 1 8 . 1 1 148 148 ARG N N 148 120.815 120.815 123.298 -2.483 18953 7545 1 8 . 1 1 148 148 ARG HA H 148 4.579 4.579 5.053 -0.474 18953 7546 1 8 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.568 0.426 18953 7547 1 8 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.200 0.056 18953 7548 1 8 . 1 1 148 148 ARG H H 148 6.955 6.955 9.510 -2.555 18953 7549 1 8 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.218 -0.032 18953 7550 1 8 . 1 1 149 149 PRO C C 149 175.154 175.154 177.415 -2.261 18953 7551 1 8 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.193 1.662 18953 7552 1 8 . 1 1 149 149 PRO CB C 149 31.637 31.637 32.118 -0.481 18953 7553 1 8 . 1 1 150 150 GLY N N 150 111.695 111.695 108.118 3.577 18953 7554 1 8 . 1 1 150 150 GLY C C 150 179.740 179.740 171.589 8.151 18953 7555 1 8 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.207 0.406 18953 7556 1 8 . 1 1 150 150 GLY H H 150 8.965 8.965 7.517 1.448 18953 7557 1 8 . 1 1 151 151 GLU N N 151 118.822 118.822 119.509 -0.687 18953 7558 1 8 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.929 -0.606 18953 7559 1 8 . 1 1 151 151 GLU C C 151 176.078 176.078 174.788 1.290 18953 7560 1 8 . 1 1 151 151 GLU CA C 151 56.553 56.553 54.806 1.747 18953 7561 1 8 . 1 1 151 151 GLU CB C 151 31.878 31.878 31.856 0.022 18953 7562 1 8 . 1 1 151 151 GLU H H 151 8.403 8.403 8.154 0.249 18953 7563 1 8 . 1 1 152 152 TYR N N 152 123.055 123.055 122.531 0.524 18953 7564 1 8 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.762 -0.022 18953 7565 1 8 . 1 1 152 152 TYR C C 152 176.413 176.413 176.050 0.363 18953 7566 1 8 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.897 -0.926 18953 7567 1 8 . 1 1 152 152 TYR CB C 152 38.774 38.774 40.748 -1.974 18953 7568 1 8 . 1 1 152 152 TYR H H 152 8.859 8.859 9.151 -0.292 18953 7569 1 8 . 1 1 153 153 ARG N N 153 124.271 124.271 121.453 2.818 18953 7570 1 8 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.857 -0.841 18953 7571 1 8 . 1 1 153 153 ARG C C 153 176.727 176.727 175.710 1.017 18953 7572 1 8 . 1 1 153 153 ARG CA C 153 60.204 60.204 56.062 4.142 18953 7573 1 8 . 1 1 153 153 ARG CB C 153 30.340 30.340 33.352 -3.012 18953 7574 1 8 . 1 1 153 153 ARG H H 153 8.882 8.882 9.554 -0.672 18953 7575 1 8 . 1 1 154 154 SER N N 154 111.500 111.500 110.300 1.200 18953 7576 1 8 . 1 1 154 154 SER HA H 154 5.194 5.194 4.776 0.418 18953 7577 1 8 . 1 1 154 154 SER C C 154 176.379 176.379 173.306 3.073 18953 7578 1 8 . 1 1 154 154 SER CA C 154 56.894 56.894 55.434 1.460 18953 7579 1 8 . 1 1 154 154 SER CB C 154 66.352 66.352 64.487 1.865 18953 7580 1 8 . 1 1 154 154 SER H H 154 8.070 8.070 7.694 0.376 18953 7581 1 8 . 1 1 155 155 TYR N N 155 119.386 119.386 119.704 -0.318 18953 7582 1 8 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.247 -2.084 18953 7583 1 8 . 1 1 155 155 TYR C C 155 174.639 174.639 176.237 -1.598 18953 7584 1 8 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.073 -1.704 18953 7585 1 8 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.236 1.163 18953 7586 1 8 . 1 1 155 155 TYR H H 155 7.638 7.638 7.312 0.326 18953 7587 1 8 . 1 1 156 156 ASN N N 156 119.038 119.038 115.584 3.454 18953 7588 1 8 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.543 -0.423 18953 7589 1 8 . 1 1 156 156 ASN C C 156 172.889 172.889 175.286 -2.397 18953 7590 1 8 . 1 1 156 156 ASN CA C 156 55.596 55.596 54.272 1.325 18953 7591 1 8 . 1 1 156 156 ASN CB C 156 38.621 38.621 38.348 0.273 18953 7592 1 8 . 1 1 156 156 ASN H H 156 6.819 6.819 7.493 -0.674 18953 7593 1 8 . 1 1 157 157 ASP N N 157 118.338 118.338 121.388 -3.050 18953 7594 1 8 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.560 0.021 18953 7595 1 8 . 1 1 157 157 ASP C C 157 173.908 173.908 177.401 -3.493 18953 7596 1 8 . 1 1 157 157 ASP CA C 157 57.382 57.382 57.111 0.271 18953 7597 1 8 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.281 0.346 18953 7598 1 8 . 1 1 157 157 ASP H H 157 7.791 7.791 7.485 0.306 18953 7599 1 8 . 1 1 158 158 TRP N N 158 114.610 114.610 119.032 -4.422 18953 7600 1 8 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.879 0.455 18953 7601 1 8 . 1 1 158 158 TRP C C 158 175.711 175.711 176.586 -0.875 18953 7602 1 8 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.835 0.234 18953 7603 1 8 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.674 -0.555 18953 7604 1 8 . 1 1 158 158 TRP H H 158 7.000 7.000 6.666 0.334 18953 7605 1 8 . 1 1 159 159 GLY N N 159 108.647 108.647 108.264 0.383 18953 7606 1 8 . 1 1 159 159 GLY C C 159 175.991 175.991 174.264 1.727 18953 7607 1 8 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.371 0.361 18953 7608 1 8 . 1 1 159 159 GLY H H 159 7.588 7.588 7.885 -0.297 18953 7609 1 8 . 1 1 160 160 GLY N N 160 107.348 107.348 106.154 1.194 18953 7610 1 8 . 1 1 160 160 GLY C C 160 178.604 178.604 172.727 5.877 18953 7611 1 8 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.774 1.582 18953 7612 1 8 . 1 1 160 160 GLY H H 160 7.326 7.326 7.676 -0.350 18953 7613 1 8 . 1 1 161 161 VAL N N 161 118.047 118.047 115.533 2.514 18953 7614 1 8 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.239 0.013 18953 7615 1 8 . 1 1 161 161 VAL C C 161 175.118 175.118 175.795 -0.677 18953 7616 1 8 . 1 1 161 161 VAL CA C 161 63.303 63.303 62.855 0.449 18953 7617 1 8 . 1 1 161 161 VAL CB C 161 32.835 32.835 34.078 -1.242 18953 7618 1 8 . 1 1 161 161 VAL H H 161 8.697 8.697 8.343 0.354 18953 7619 1 8 . 1 1 162 162 THR N N 162 111.630 111.630 111.401 0.229 18953 7620 1 8 . 1 1 162 162 THR HA H 162 3.659 3.659 4.462 -0.803 18953 7621 1 8 . 1 1 162 162 THR C C 162 179.191 179.191 174.307 4.884 18953 7622 1 8 . 1 1 162 162 THR CA C 162 59.431 59.431 60.638 -1.207 18953 7623 1 8 . 1 1 162 162 THR CB C 162 71.935 71.935 71.651 0.284 18953 7624 1 8 . 1 1 162 162 THR H H 162 7.864 7.864 7.677 0.187 18953 7625 1 8 . 1 1 163 163 SER N N 163 112.275 112.275 112.568 -0.293 18953 7626 1 8 . 1 1 163 163 SER HA H 163 4.018 4.018 4.743 -0.725 18953 7627 1 8 . 1 1 163 163 SER C C 163 178.307 178.307 174.215 4.092 18953 7628 1 8 . 1 1 163 163 SER CA C 163 57.968 57.968 57.641 0.327 18953 7629 1 8 . 1 1 163 163 SER CB C 163 63.093 63.093 64.554 -1.461 18953 7630 1 8 . 1 1 163 163 SER H H 163 7.502 7.502 8.631 -1.129 18953 7631 1 8 . 1 1 164 164 ARG N N 164 122.770 122.770 123.826 -1.056 18953 7632 1 8 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.444 -0.019 18953 7633 1 8 . 1 1 164 164 ARG C C 164 175.003 175.003 174.818 0.185 18953 7634 1 8 . 1 1 164 164 ARG CA C 164 57.137 57.137 55.884 1.253 18953 7635 1 8 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.246 2.207 18953 7636 1 8 . 1 1 164 164 ARG H H 164 7.578 7.578 7.713 -0.135 18953 7637 1 8 . 1 1 165 165 MET N N 165 122.454 122.454 122.018 0.436 18953 7638 1 8 . 1 1 165 165 MET HA H 165 4.620 4.620 5.000 -0.380 18953 7639 1 8 . 1 1 165 165 MET C C 165 177.244 177.244 176.045 1.199 18953 7640 1 8 . 1 1 165 165 MET CA C 165 56.192 56.192 55.361 0.831 18953 7641 1 8 . 1 1 165 165 MET CB C 165 37.269 37.269 34.110 3.159 18953 7642 1 8 . 1 1 165 165 MET H H 165 8.480 8.480 8.323 0.157 18953 7643 1 8 . 1 1 166 166 GLY N N 166 107.987 107.987 109.973 -1.986 18953 7644 1 8 . 1 1 166 166 GLY C C 166 177.648 177.648 173.274 4.374 18953 7645 1 8 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.697 0.995 18953 7646 1 8 . 1 1 166 166 GLY H H 166 9.046 9.046 8.686 0.360 18953 7647 1 8 . 1 1 167 167 SER N N 167 113.024 113.024 115.812 -2.788 18953 7648 1 8 . 1 1 167 167 SER HA H 167 4.562 4.562 5.668 -1.106 18953 7649 1 8 . 1 1 167 167 SER C C 167 179.104 179.104 172.802 6.302 18953 7650 1 8 . 1 1 167 167 SER CA C 167 58.729 58.729 56.072 2.657 18953 7651 1 8 . 1 1 167 167 SER CB C 167 64.816 64.816 65.557 -0.741 18953 7652 1 8 . 1 1 167 167 SER H H 167 8.257 8.257 7.970 0.287 18953 7653 1 8 . 1 1 168 168 ILE N N 168 118.927 118.927 122.043 -3.116 18953 7654 1 8 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.040 0.468 18953 7655 1 8 . 1 1 168 168 ILE C C 168 177.783 177.783 174.072 3.711 18953 7656 1 8 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.909 0.252 18953 7657 1 8 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.178 1.032 18953 7658 1 8 . 1 1 168 168 ILE H H 168 8.922 8.922 8.965 -0.043 18953 7659 1 8 . 1 1 169 169 ARG N N 169 124.820 124.820 125.136 -0.316 18953 7660 1 8 . 1 1 169 169 ARG HA H 169 5.045 5.045 5.128 -0.083 18953 7661 1 8 . 1 1 169 169 ARG C C 169 177.350 177.350 174.305 3.045 18953 7662 1 8 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.422 -0.237 18953 7663 1 8 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.657 0.334 18953 7664 1 8 . 1 1 169 169 ARG H H 169 9.757 9.757 9.133 0.624 18953 7665 1 8 . 1 1 170 170 ARG N N 170 122.951 122.951 127.578 -4.627 18953 7666 1 8 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.760 -0.495 18953 7667 1 8 . 1 1 170 170 ARG C C 170 174.373 174.373 175.357 -0.984 18953 7668 1 8 . 1 1 170 170 ARG CA C 170 55.170 55.170 54.409 0.761 18953 7669 1 8 . 1 1 170 170 ARG CB C 170 30.150 30.150 29.305 0.845 18953 7670 1 8 . 1 1 170 170 ARG H H 170 8.552 8.552 8.690 -0.138 18953 7671 1 8 . 1 1 171 171 ILE N N 171 123.280 123.280 127.818 -4.538 18953 7672 1 8 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.754 0.048 18953 7673 1 8 . 1 1 171 171 ILE C C 171 177.088 177.088 174.697 2.391 18953 7674 1 8 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.504 0.057 18953 7675 1 8 . 1 1 171 171 ILE CB C 171 36.326 36.326 37.930 -1.604 18953 7676 1 8 . 1 1 171 171 ILE H H 171 8.424 8.424 7.997 0.427 18953 7677 1 8 . 1 1 172 172 THR N N 172 117.270 117.270 120.545 -3.275 18953 7678 1 8 . 1 1 172 172 THR HA H 172 4.558 4.558 4.175 0.383 18953 7679 1 8 . 1 1 172 172 THR C C 172 177.651 177.651 172.833 4.818 18953 7680 1 8 . 1 1 172 172 THR CA C 172 60.095 60.095 61.207 -1.112 18953 7681 1 8 . 1 1 172 172 THR CB C 172 70.040 70.040 68.767 1.273 18953 7682 1 8 . 1 1 172 172 THR H H 172 7.299 7.299 7.896 -0.597 18953 7683 1 8 . 1 1 173 173 ASP N N 173 121.598 121.598 121.914 -0.316 18953 7684 1 8 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.692 -0.247 18953 7685 1 8 . 1 1 173 173 ASP C C 173 177.041 177.041 175.441 1.600 18953 7686 1 8 . 1 1 173 173 ASP CA C 173 55.010 55.010 54.544 0.466 18953 7687 1 8 . 1 1 173 173 ASP CB C 173 41.524 41.524 41.895 -0.371 18953 7688 1 8 . 1 1 173 173 ASP H H 173 8.477 8.477 8.193 0.284 18953 7689 1 9 . 1 1 2 2 GLY C C 2 182.782 182.782 173.345 9.437 18953 7690 1 9 . 1 1 2 2 GLY CA C 2 43.547 43.547 44.684 -1.137 18953 7691 1 9 . 1 1 3 3 LYS N N 3 120.153 120.153 120.080 0.073 18953 7692 1 9 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.337 0.678 18953 7693 1 9 . 1 1 3 3 LYS C C 3 179.140 179.140 174.439 4.701 18953 7694 1 9 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.651 1.659 18953 7695 1 9 . 1 1 3 3 LYS CB C 3 35.698 35.698 36.548 -0.850 18953 7696 1 9 . 1 1 3 3 LYS H H 3 8.398 8.398 7.982 0.416 18953 7697 1 9 . 1 1 4 4 ILE N N 4 129.769 129.769 122.010 7.759 18953 7698 1 9 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.469 0.137 18953 7699 1 9 . 1 1 4 4 ILE C C 4 180.618 180.618 174.295 6.323 18953 7700 1 9 . 1 1 4 4 ILE CA C 4 58.400 58.400 59.076 -0.676 18953 7701 1 9 . 1 1 4 4 ILE CB C 4 41.019 41.019 38.884 2.135 18953 7702 1 9 . 1 1 4 4 ILE H H 4 8.871 8.871 8.421 0.450 18953 7703 1 9 . 1 1 5 5 ILE N N 5 125.103 125.103 127.076 -1.973 18953 7704 1 9 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.878 -0.370 18953 7705 1 9 . 1 1 5 5 ILE C C 5 177.516 177.516 175.038 2.478 18953 7706 1 9 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.816 1.013 18953 7707 1 9 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.268 0.149 18953 7708 1 9 . 1 1 5 5 ILE H H 5 8.788 8.788 8.479 0.309 18953 7709 1 9 . 1 1 6 6 PHE N N 6 125.558 125.558 126.538 -0.980 18953 7710 1 9 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.840 -0.217 18953 7711 1 9 . 1 1 6 6 PHE C C 6 176.512 176.512 174.691 1.821 18953 7712 1 9 . 1 1 6 6 PHE CA C 6 57.219 57.219 56.867 0.352 18953 7713 1 9 . 1 1 6 6 PHE CB C 6 41.483 41.483 40.280 1.203 18953 7714 1 9 . 1 1 6 6 PHE H H 6 8.540 8.540 9.196 -0.656 18953 7715 1 9 . 1 1 7 7 TYR N N 7 120.647 120.647 122.593 -1.946 18953 7716 1 9 . 1 1 7 7 TYR HA H 7 5.171 5.171 4.992 0.179 18953 7717 1 9 . 1 1 7 7 TYR C C 7 173.898 173.898 175.771 -1.873 18953 7718 1 9 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.319 0.127 18953 7719 1 9 . 1 1 7 7 TYR CB C 7 39.310 39.310 41.188 -1.878 18953 7720 1 9 . 1 1 7 7 TYR H H 7 8.889 8.889 9.391 -0.502 18953 7721 1 9 . 1 1 8 8 GLU N N 8 122.007 122.007 122.477 -0.470 18953 7722 1 9 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.305 -0.124 18953 7723 1 9 . 1 1 8 8 GLU C C 8 174.881 174.881 177.029 -2.148 18953 7724 1 9 . 1 1 8 8 GLU CA C 8 60.066 60.066 57.615 2.451 18953 7725 1 9 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.390 1.662 18953 7726 1 9 . 1 1 8 8 GLU H H 8 8.756 8.756 8.632 0.124 18953 7727 1 9 . 1 1 9 9 ASP N N 9 114.203 114.203 119.543 -5.340 18953 7728 1 9 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.669 0.553 18953 7729 1 9 . 1 1 9 9 ASP CA C 9 52.366 52.366 53.094 -0.728 18953 7730 1 9 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.652 0.784 18953 7731 1 9 . 1 1 9 9 ASP H H 9 7.977 7.977 8.032 -0.055 18953 7732 1 9 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.315 -1.196 18953 7733 1 9 . 1 1 11 11 ASN CA C 11 56.660 56.660 55.815 0.845 18953 7734 1 9 . 1 1 11 11 ASN CB C 11 35.050 35.050 39.328 -4.278 18953 7735 1 9 . 1 1 13 13 GLY C C 13 178.281 178.281 173.624 4.657 18953 7736 1 9 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.381 0.065 18953 7737 1 9 . 1 1 14 14 GLY N N 14 105.348 105.348 107.038 -1.690 18953 7738 1 9 . 1 1 14 14 GLY C C 14 176.463 176.463 173.961 2.502 18953 7739 1 9 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.116 -0.005 18953 7740 1 9 . 1 1 14 14 GLY H H 14 8.261 8.261 8.173 0.088 18953 7741 1 9 . 1 1 15 15 ARG N N 15 119.637 119.637 124.135 -4.498 18953 7742 1 9 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.402 -0.191 18953 7743 1 9 . 1 1 15 15 ARG C C 15 176.574 176.574 175.589 0.985 18953 7744 1 9 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.650 0.682 18953 7745 1 9 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.622 0.790 18953 7746 1 9 . 1 1 15 15 ARG H H 15 8.579 8.579 8.378 0.201 18953 7747 1 9 . 1 1 16 16 TYR N N 16 114.846 114.846 123.747 -8.901 18953 7748 1 9 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.374 0.484 18953 7749 1 9 . 1 1 16 16 TYR C C 16 176.510 176.510 174.727 1.783 18953 7750 1 9 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.733 -0.120 18953 7751 1 9 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.522 1.896 18953 7752 1 9 . 1 1 16 16 TYR H H 16 7.617 7.617 8.014 -0.397 18953 7753 1 9 . 1 1 17 17 HIS N N 17 118.443 118.443 121.050 -2.607 18953 7754 1 9 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.855 -0.045 18953 7755 1 9 . 1 1 17 17 HIS C C 17 177.970 177.970 173.429 4.541 18953 7756 1 9 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.278 0.284 18953 7757 1 9 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.361 0.242 18953 7758 1 9 . 1 1 17 17 HIS H H 17 8.785 8.785 8.709 0.076 18953 7759 1 9 . 1 1 18 18 GLU N N 18 126.223 126.223 125.853 0.370 18953 7760 1 9 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.594 0.244 18953 7761 1 9 . 1 1 18 18 GLU C C 18 176.504 176.504 174.938 1.566 18953 7762 1 9 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.062 0.037 18953 7763 1 9 . 1 1 18 18 GLU CB C 18 32.122 32.122 29.679 2.443 18953 7764 1 9 . 1 1 18 18 GLU H H 18 8.529 8.529 8.390 0.139 18953 7765 1 9 . 1 1 19 19 CYS N N 19 121.383 121.383 123.914 -2.531 18953 7766 1 9 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.549 0.108 18953 7767 1 9 . 1 1 19 19 CYS C C 19 178.018 178.018 174.183 3.835 18953 7768 1 9 . 1 1 19 19 CYS CA C 19 58.777 58.777 58.396 0.381 18953 7769 1 9 . 1 1 19 19 CYS CB C 19 29.812 29.812 31.107 -1.295 18953 7770 1 9 . 1 1 19 19 CYS H H 19 9.163 9.163 9.022 0.141 18953 7771 1 9 . 1 1 20 20 MET N N 20 126.877 126.877 120.562 6.315 18953 7772 1 9 . 1 1 20 20 MET HA H 20 5.295 5.295 4.588 0.707 18953 7773 1 9 . 1 1 20 20 MET C C 20 176.776 176.776 175.020 1.756 18953 7774 1 9 . 1 1 20 20 MET CA C 20 55.260 55.260 55.963 -0.703 18953 7775 1 9 . 1 1 20 20 MET CB C 20 33.370 33.370 33.119 0.251 18953 7776 1 9 . 1 1 20 20 MET H H 20 8.995 8.995 8.779 0.216 18953 7777 1 9 . 1 1 21 21 SER N N 21 179.042 179.042 115.609 63.433 18953 7778 1 9 . 1 1 21 21 SER HA H 21 4.658 4.658 4.889 -0.231 18953 7779 1 9 . 1 1 21 21 SER C C 21 179.042 179.042 174.089 4.953 18953 7780 1 9 . 1 1 21 21 SER CA C 21 57.586 57.586 56.988 0.598 18953 7781 1 9 . 1 1 21 21 SER CB C 21 65.782 65.782 66.290 -0.508 18953 7782 1 9 . 1 1 21 21 SER H H 21 7.990 7.990 7.643 0.347 18953 7783 1 9 . 1 1 22 22 ASP N N 22 117.203 117.203 119.734 -2.531 18953 7784 1 9 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.654 0.297 18953 7785 1 9 . 1 1 22 22 ASP C C 22 173.564 173.564 175.804 -2.240 18953 7786 1 9 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.341 1.130 18953 7787 1 9 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.883 0.936 18953 7788 1 9 . 1 1 22 22 ASP H H 22 8.317 8.317 8.536 -0.219 18953 7789 1 9 . 1 1 23 23 CYS N N 23 121.308 121.308 121.185 0.123 18953 7790 1 9 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.773 0.018 18953 7791 1 9 . 1 1 23 23 CYS C C 23 177.265 177.265 174.494 2.771 18953 7792 1 9 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.668 2.295 18953 7793 1 9 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.256 -0.845 18953 7794 1 9 . 1 1 23 23 CYS H H 23 9.410 9.410 8.904 0.506 18953 7795 1 9 . 1 1 24 24 ALA N N 24 131.693 131.693 128.985 2.708 18953 7796 1 9 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.818 -0.296 18953 7797 1 9 . 1 1 24 24 ALA C C 24 175.455 175.455 175.738 -0.283 18953 7798 1 9 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.679 1.935 18953 7799 1 9 . 1 1 24 24 ALA CB C 24 19.175 19.175 19.181 -0.006 18953 7800 1 9 . 1 1 24 24 ALA H H 24 9.210 9.210 8.861 0.349 18953 7801 1 9 . 1 1 25 25 ASP N N 25 113.873 113.873 117.024 -3.151 18953 7802 1 9 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.774 0.121 18953 7803 1 9 . 1 1 25 25 ASP C C 25 174.970 174.970 175.081 -0.111 18953 7804 1 9 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.049 0.871 18953 7805 1 9 . 1 1 25 25 ASP CB C 25 40.564 40.564 40.881 -0.317 18953 7806 1 9 . 1 1 25 25 ASP H H 25 7.524 7.524 7.534 -0.010 18953 7807 1 9 . 1 1 26 26 LEU N N 26 127.166 127.166 122.063 5.103 18953 7808 1 9 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.280 -0.281 18953 7809 1 9 . 1 1 26 26 LEU C C 26 173.727 173.727 177.209 -3.482 18953 7810 1 9 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.907 1.244 18953 7811 1 9 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.447 -0.088 18953 7812 1 9 . 1 1 26 26 LEU H H 26 8.495 8.495 8.952 -0.457 18953 7813 1 9 . 1 1 27 27 HIS N N 27 118.732 118.732 119.665 -0.933 18953 7814 1 9 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.286 0.251 18953 7815 1 9 . 1 1 27 27 HIS C C 27 175.667 175.667 175.547 0.120 18953 7816 1 9 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.240 -1.447 18953 7817 1 9 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.363 -1.325 18953 7818 1 9 . 1 1 27 27 HIS H H 27 8.446 8.446 7.972 0.474 18953 7819 1 9 . 1 1 28 28 SER N N 28 112.598 112.598 113.283 -0.685 18953 7820 1 9 . 1 1 28 28 SER HA H 28 3.792 3.792 4.140 -0.348 18953 7821 1 9 . 1 1 28 28 SER C C 28 177.551 177.551 175.880 1.671 18953 7822 1 9 . 1 1 28 28 SER CA C 28 60.406 60.406 60.932 -0.526 18953 7823 1 9 . 1 1 28 28 SER CB C 28 62.814 62.814 62.970 -0.156 18953 7824 1 9 . 1 1 28 28 SER H H 28 7.237 7.237 8.157 -0.920 18953 7825 1 9 . 1 1 29 29 TYR N N 29 118.301 118.301 118.472 -0.171 18953 7826 1 9 . 1 1 29 29 TYR HA H 29 4.302 4.302 3.994 0.308 18953 7827 1 9 . 1 1 29 29 TYR C C 29 176.283 176.283 175.618 0.665 18953 7828 1 9 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.889 -2.221 18953 7829 1 9 . 1 1 29 29 TYR CB C 29 39.471 39.471 38.895 0.576 18953 7830 1 9 . 1 1 29 29 TYR H H 29 7.224 7.224 7.716 -0.492 18953 7831 1 9 . 1 1 30 30 PHE N N 30 112.713 112.713 111.195 1.518 18953 7832 1 9 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.704 -0.022 18953 7833 1 9 . 1 1 30 30 PHE C C 30 177.785 177.785 174.340 3.445 18953 7834 1 9 . 1 1 30 30 PHE CA C 30 55.924 55.924 56.254 -0.330 18953 7835 1 9 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.215 -0.471 18953 7836 1 9 . 1 1 30 30 PHE H H 30 7.173 7.173 7.626 -0.453 18953 7837 1 9 . 1 1 31 31 ASN N N 31 115.959 115.959 119.323 -3.364 18953 7838 1 9 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.462 0.248 18953 7839 1 9 . 1 1 31 31 ASN C C 31 176.537 176.537 174.769 1.768 18953 7840 1 9 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.119 0.432 18953 7841 1 9 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.165 0.891 18953 7842 1 9 . 1 1 31 31 ASN H H 31 8.918 8.918 8.639 0.279 18953 7843 1 9 . 1 1 32 32 ARG N N 32 117.693 117.693 116.844 0.849 18953 7844 1 9 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.521 0.106 18953 7845 1 9 . 1 1 32 32 ARG C C 32 178.177 178.177 173.293 4.884 18953 7846 1 9 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.778 -0.622 18953 7847 1 9 . 1 1 32 32 ARG CB C 32 33.091 33.091 32.926 0.165 18953 7848 1 9 . 1 1 32 32 ARG H H 32 7.893 7.893 7.938 -0.045 18953 7849 1 9 . 1 1 33 33 CYS N N 33 119.494 119.494 122.631 -3.137 18953 7850 1 9 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.630 0.322 18953 7851 1 9 . 1 1 33 33 CYS C C 33 176.223 176.223 173.664 2.559 18953 7852 1 9 . 1 1 33 33 CYS CA C 33 58.307 58.307 57.619 0.688 18953 7853 1 9 . 1 1 33 33 CYS CB C 33 28.751 28.751 30.420 -1.669 18953 7854 1 9 . 1 1 33 33 CYS H H 33 8.161 8.161 8.622 -0.461 18953 7855 1 9 . 1 1 34 34 HIS N N 34 126.786 126.786 123.543 3.243 18953 7856 1 9 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.578 0.444 18953 7857 1 9 . 1 1 34 34 HIS C C 34 176.224 176.224 174.290 1.934 18953 7858 1 9 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.825 -0.127 18953 7859 1 9 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.539 1.770 18953 7860 1 9 . 1 1 34 34 HIS H H 34 8.325 8.325 8.648 -0.323 18953 7861 1 9 . 1 1 35 35 SER N N 35 113.132 113.132 114.260 -1.128 18953 7862 1 9 . 1 1 35 35 SER HA H 35 5.264 5.264 5.285 -0.021 18953 7863 1 9 . 1 1 35 35 SER C C 35 179.093 179.093 172.765 6.328 18953 7864 1 9 . 1 1 35 35 SER CA C 35 59.951 59.951 58.475 1.476 18953 7865 1 9 . 1 1 35 35 SER CB C 35 65.754 65.754 66.291 -0.537 18953 7866 1 9 . 1 1 35 35 SER H H 35 8.489 8.489 8.120 0.369 18953 7867 1 9 . 1 1 36 36 ILE N N 36 119.607 119.607 122.652 -3.045 18953 7868 1 9 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.651 0.718 18953 7869 1 9 . 1 1 36 36 ILE C C 36 176.313 176.313 173.866 2.447 18953 7870 1 9 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.350 0.144 18953 7871 1 9 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.651 3.119 18953 7872 1 9 . 1 1 36 36 ILE H H 36 8.579 8.579 8.926 -0.347 18953 7873 1 9 . 1 1 37 37 ARG N N 37 126.328 126.328 125.543 0.785 18953 7874 1 9 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.885 0.074 18953 7875 1 9 . 1 1 37 37 ARG C C 37 176.785 176.785 174.545 2.240 18953 7876 1 9 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.123 0.990 18953 7877 1 9 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.332 1.002 18953 7878 1 9 . 1 1 37 37 ARG H H 37 9.342 9.342 8.885 0.457 18953 7879 1 9 . 1 1 38 38 VAL N N 38 125.466 125.466 127.967 -2.501 18953 7880 1 9 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.374 -0.050 18953 7881 1 9 . 1 1 38 38 VAL C C 38 175.196 175.196 175.667 -0.471 18953 7882 1 9 . 1 1 38 38 VAL CA C 38 62.436 62.436 62.652 -0.216 18953 7883 1 9 . 1 1 38 38 VAL CB C 38 31.674 31.674 31.942 -0.268 18953 7884 1 9 . 1 1 38 38 VAL H H 38 9.122 9.122 8.798 0.324 18953 7885 1 9 . 1 1 39 39 GLU N N 39 128.582 128.582 129.308 -0.726 18953 7886 1 9 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.122 -0.038 18953 7887 1 9 . 1 1 39 39 GLU C C 39 175.200 175.200 176.097 -0.897 18953 7888 1 9 . 1 1 39 39 GLU CA C 39 58.498 58.498 58.430 0.068 18953 7889 1 9 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.815 1.015 18953 7890 1 9 . 1 1 39 39 GLU H H 39 8.258 8.258 8.567 -0.309 18953 7891 1 9 . 1 1 40 40 SER N N 40 108.412 108.412 109.584 -1.172 18953 7892 1 9 . 1 1 40 40 SER HA H 40 4.343 4.343 4.466 -0.123 18953 7893 1 9 . 1 1 40 40 SER C C 40 178.000 178.000 172.933 5.067 18953 7894 1 9 . 1 1 40 40 SER CA C 40 57.623 57.623 58.689 -1.066 18953 7895 1 9 . 1 1 40 40 SER CB C 40 64.539 64.539 64.185 0.354 18953 7896 1 9 . 1 1 40 40 SER H H 40 7.753 7.753 7.416 0.337 18953 7897 1 9 . 1 1 41 41 GLY N N 41 109.451 109.451 111.851 -2.400 18953 7898 1 9 . 1 1 41 41 GLY C C 41 179.855 179.855 172.766 7.089 18953 7899 1 9 . 1 1 41 41 GLY CA C 41 44.884 44.884 44.686 0.198 18953 7900 1 9 . 1 1 41 41 GLY H H 41 8.714 8.714 8.362 0.352 18953 7901 1 9 . 1 1 42 42 CYS N N 42 112.295 112.295 119.414 -7.119 18953 7902 1 9 . 1 1 42 42 CYS HA H 42 4.934 4.934 4.938 -0.004 18953 7903 1 9 . 1 1 42 42 CYS C C 42 178.663 178.663 173.211 5.452 18953 7904 1 9 . 1 1 42 42 CYS CA C 42 56.877 56.877 57.785 -0.908 18953 7905 1 9 . 1 1 42 42 CYS CB C 42 31.679 31.679 31.847 -0.168 18953 7906 1 9 . 1 1 42 42 CYS H H 42 7.794 7.794 8.518 -0.725 18953 7907 1 9 . 1 1 43 43 PHE N N 43 118.841 118.841 121.674 -2.833 18953 7908 1 9 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.622 0.502 18953 7909 1 9 . 1 1 43 43 PHE C C 43 178.045 178.045 172.527 5.518 18953 7910 1 9 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.214 -0.723 18953 7911 1 9 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.911 1.046 18953 7912 1 9 . 1 1 43 43 PHE H H 43 8.509 8.509 8.229 0.280 18953 7913 1 9 . 1 1 44 44 MET N N 44 119.494 119.494 125.145 -5.651 18953 7914 1 9 . 1 1 44 44 MET HA H 44 5.442 5.442 4.659 0.783 18953 7915 1 9 . 1 1 44 44 MET C C 44 174.336 174.336 173.806 0.530 18953 7916 1 9 . 1 1 44 44 MET CA C 44 52.992 52.992 52.995 -0.003 18953 7917 1 9 . 1 1 44 44 MET CB C 44 33.835 33.835 35.255 -1.419 18953 7918 1 9 . 1 1 44 44 MET H H 44 9.110 9.110 8.228 0.882 18953 7919 1 9 . 1 1 45 45 VAL N N 45 117.666 117.666 123.289 -5.623 18953 7920 1 9 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.804 0.583 18953 7921 1 9 . 1 1 45 45 VAL C C 45 177.844 177.844 173.751 4.093 18953 7922 1 9 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.317 0.316 18953 7923 1 9 . 1 1 45 45 VAL CB C 45 34.280 34.280 33.613 0.667 18953 7924 1 9 . 1 1 45 45 VAL H H 45 9.345 9.345 8.679 0.666 18953 7925 1 9 . 1 1 46 46 TYR N N 46 117.876 117.876 123.222 -5.346 18953 7926 1 9 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.136 0.869 18953 7927 1 9 . 1 1 46 46 TYR C C 46 173.152 173.152 175.453 -2.301 18953 7928 1 9 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.361 -0.678 18953 7929 1 9 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.106 -1.081 18953 7930 1 9 . 1 1 46 46 TYR H H 46 8.145 8.145 9.417 -1.272 18953 7931 1 9 . 1 1 47 47 ASP N N 47 119.783 119.783 122.457 -2.674 18953 7932 1 9 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.659 0.226 18953 7933 1 9 . 1 1 47 47 ASP C C 47 176.040 176.040 175.713 0.327 18953 7934 1 9 . 1 1 47 47 ASP CA C 47 53.826 53.826 55.038 -1.212 18953 7935 1 9 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.842 -0.775 18953 7936 1 9 . 1 1 47 47 ASP H H 47 8.690 8.690 8.754 -0.064 18953 7937 1 9 . 1 1 48 48 ARG N N 48 116.008 116.008 117.003 -0.995 18953 7938 1 9 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.681 0.057 18953 7939 1 9 . 1 1 48 48 ARG C C 48 175.495 175.495 175.337 0.158 18953 7940 1 9 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.248 0.097 18953 7941 1 9 . 1 1 48 48 ARG CB C 48 34.662 34.662 33.869 0.793 18953 7942 1 9 . 1 1 48 48 ARG H H 48 7.627 7.627 8.025 -0.398 18953 7943 1 9 . 1 1 49 49 THR N N 49 110.526 110.526 114.555 -4.029 18953 7944 1 9 . 1 1 49 49 THR HA H 49 3.790 3.790 4.173 -0.383 18953 7945 1 9 . 1 1 49 49 THR C C 49 176.951 176.951 174.374 2.577 18953 7946 1 9 . 1 1 49 49 THR CA C 49 62.112 62.112 62.596 -0.484 18953 7947 1 9 . 1 1 49 49 THR CB C 49 70.189 70.189 69.037 1.152 18953 7948 1 9 . 1 1 49 49 THR H H 49 8.173 8.173 8.502 -0.329 18953 7949 1 9 . 1 1 50 50 ASN N N 50 112.515 112.515 118.380 -5.865 18953 7950 1 9 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.432 -0.183 18953 7951 1 9 . 1 1 50 50 ASN C C 50 178.172 178.172 173.245 4.927 18953 7952 1 9 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.711 0.666 18953 7953 1 9 . 1 1 50 50 ASN CB C 50 36.907 36.907 36.995 -0.088 18953 7954 1 9 . 1 1 50 50 ASN H H 50 9.654 9.654 8.075 1.579 18953 7955 1 9 . 1 1 51 51 PHE N N 51 110.557 110.557 110.020 0.537 18953 7956 1 9 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.817 -0.167 18953 7957 1 9 . 1 1 51 51 PHE C C 51 176.292 176.292 174.375 1.917 18953 7958 1 9 . 1 1 51 51 PHE CA C 51 55.668 55.668 57.620 -1.952 18953 7959 1 9 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.148 0.784 18953 7960 1 9 . 1 1 51 51 PHE H H 51 7.568 7.568 7.707 -0.139 18953 7961 1 9 . 1 1 52 52 MET N N 52 117.547 117.547 117.120 0.427 18953 7962 1 9 . 1 1 52 52 MET HA H 52 4.859 4.859 4.966 -0.107 18953 7963 1 9 . 1 1 52 52 MET C C 52 177.399 177.399 175.354 2.045 18953 7964 1 9 . 1 1 52 52 MET CA C 52 53.946 53.946 54.858 -0.912 18953 7965 1 9 . 1 1 52 52 MET CB C 52 35.335 35.335 36.942 -1.607 18953 7966 1 9 . 1 1 52 52 MET H H 52 6.355 6.355 7.637 -1.282 18953 7967 1 9 . 1 1 53 53 GLY N N 53 103.445 103.445 106.753 -3.308 18953 7968 1 9 . 1 1 53 53 GLY C C 53 175.327 175.327 174.427 0.900 18953 7969 1 9 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.725 -0.142 18953 7970 1 9 . 1 1 53 53 GLY H H 53 8.256 8.256 8.639 -0.383 18953 7971 1 9 . 1 1 54 54 ARG N N 54 124.195 124.195 123.251 0.944 18953 7972 1 9 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.083 0.079 18953 7973 1 9 . 1 1 54 54 ARG C C 54 177.235 177.235 175.889 1.346 18953 7974 1 9 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.280 -0.080 18953 7975 1 9 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.266 0.949 18953 7976 1 9 . 1 1 54 54 ARG H H 54 9.034 9.034 8.608 0.426 18953 7977 1 9 . 1 1 55 55 GLN N N 55 118.867 118.867 122.774 -3.907 18953 7978 1 9 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.783 0.236 18953 7979 1 9 . 1 1 55 55 GLN C C 55 176.166 176.166 174.854 1.312 18953 7980 1 9 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.379 -1.265 18953 7981 1 9 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.418 1.054 18953 7982 1 9 . 1 1 55 55 GLN H H 55 7.657 7.657 8.385 -0.728 18953 7983 1 9 . 1 1 56 56 TYR N N 56 117.323 117.323 122.491 -5.168 18953 7984 1 9 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.722 -0.272 18953 7985 1 9 . 1 1 56 56 TYR C C 56 177.276 177.276 174.052 3.224 18953 7986 1 9 . 1 1 56 56 TYR CA C 56 57.213 57.213 57.135 0.078 18953 7987 1 9 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.185 -0.625 18953 7988 1 9 . 1 1 56 56 TYR H H 56 8.704 8.704 8.910 -0.206 18953 7989 1 9 . 1 1 57 57 PHE N N 57 125.557 125.557 125.197 0.360 18953 7990 1 9 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.995 0.222 18953 7991 1 9 . 1 1 57 57 PHE C C 57 176.412 176.412 174.281 2.131 18953 7992 1 9 . 1 1 57 57 PHE CA C 57 58.371 58.371 57.136 1.235 18953 7993 1 9 . 1 1 57 57 PHE CB C 57 40.989 40.989 40.032 0.957 18953 7994 1 9 . 1 1 57 57 PHE H H 57 8.600 8.600 8.877 -0.277 18953 7995 1 9 . 1 1 58 58 LEU N N 58 129.141 129.141 129.613 -0.472 18953 7996 1 9 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.649 -0.294 18953 7997 1 9 . 1 1 58 58 LEU C C 58 177.356 177.356 175.072 2.284 18953 7998 1 9 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.468 0.382 18953 7999 1 9 . 1 1 58 58 LEU CB C 58 44.886 44.886 43.580 1.306 18953 8000 1 9 . 1 1 58 58 LEU H H 58 8.969 8.969 8.249 0.720 18953 8001 1 9 . 1 1 59 59 ARG N N 59 118.569 118.569 121.910 -3.341 18953 8002 1 9 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.800 -0.237 18953 8003 1 9 . 1 1 59 59 ARG C C 59 175.341 175.341 175.563 -0.222 18953 8004 1 9 . 1 1 59 59 ARG CA C 59 53.734 53.734 53.565 0.169 18953 8005 1 9 . 1 1 59 59 ARG CB C 59 32.396 32.396 32.658 -0.262 18953 8006 1 9 . 1 1 59 59 ARG H H 59 7.107 7.107 8.132 -1.025 18953 8007 1 9 . 1 1 60 60 ARG N N 60 121.635 121.635 122.462 -0.827 18953 8008 1 9 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.816 0.149 18953 8009 1 9 . 1 1 60 60 ARG C C 60 175.525 175.525 175.680 -0.155 18953 8010 1 9 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.509 0.445 18953 8011 1 9 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.756 1.134 18953 8012 1 9 . 1 1 60 60 ARG H H 60 8.258 8.258 8.011 0.247 18953 8013 1 9 . 1 1 61 61 GLY N N 61 112.955 112.955 114.502 -1.547 18953 8014 1 9 . 1 1 61 61 GLY C C 61 180.518 180.518 171.395 9.123 18953 8015 1 9 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.666 0.012 18953 8016 1 9 . 1 1 61 61 GLY H H 61 8.706 8.706 8.071 0.635 18953 8017 1 9 . 1 1 62 62 GLU N N 62 117.563 117.563 120.115 -2.552 18953 8018 1 9 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.529 0.020 18953 8019 1 9 . 1 1 62 62 GLU C C 62 176.249 176.249 175.288 0.961 18953 8020 1 9 . 1 1 62 62 GLU CA C 62 55.813 55.813 55.330 0.483 18953 8021 1 9 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.619 1.225 18953 8022 1 9 . 1 1 62 62 GLU H H 62 8.161 8.161 8.328 -0.167 18953 8023 1 9 . 1 1 63 63 TYR N N 63 119.057 119.057 125.635 -6.578 18953 8024 1 9 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.946 0.230 18953 8025 1 9 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.029 -0.756 18953 8026 1 9 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.021 -0.973 18953 8027 1 9 . 1 1 63 63 TYR H H 63 8.827 8.827 8.849 -0.022 18953 8028 1 9 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.035 -0.351 18953 8029 1 9 . 1 1 64 64 PRO CA C 64 64.970 64.970 63.873 1.097 18953 8030 1 9 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.254 -0.119 18953 8031 1 9 . 1 1 65 65 ASP N N 65 118.810 118.810 115.424 3.386 18953 8032 1 9 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.081 -0.034 18953 8033 1 9 . 1 1 65 65 ASP C C 65 174.175 174.175 174.483 -0.308 18953 8034 1 9 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.402 0.172 18953 8035 1 9 . 1 1 65 65 ASP CB C 65 39.805 39.805 43.233 -3.428 18953 8036 1 9 . 1 1 65 65 ASP H H 65 8.600 8.600 7.461 1.139 18953 8037 1 9 . 1 1 66 66 TYR N N 66 119.662 119.662 118.717 0.945 18953 8038 1 9 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.906 -0.505 18953 8039 1 9 . 1 1 66 66 TYR C C 66 175.431 175.431 174.136 1.295 18953 8040 1 9 . 1 1 66 66 TYR CA C 66 60.973 60.973 56.776 4.197 18953 8041 1 9 . 1 1 66 66 TYR CB C 66 38.024 38.024 38.904 -0.880 18953 8042 1 9 . 1 1 66 66 TYR H H 66 6.530 6.530 8.045 -1.515 18953 8043 1 9 . 1 1 67 67 MET N N 67 121.502 121.502 119.477 2.025 18953 8044 1 9 . 1 1 67 67 MET HA H 67 3.626 3.626 4.506 -0.880 18953 8045 1 9 . 1 1 67 67 MET C C 67 172.742 172.742 177.515 -4.773 18953 8046 1 9 . 1 1 67 67 MET CA C 67 59.998 59.998 55.938 4.060 18953 8047 1 9 . 1 1 67 67 MET CB C 67 32.064 32.064 34.029 -1.965 18953 8048 1 9 . 1 1 67 67 MET H H 67 8.299 8.299 7.800 0.499 18953 8049 1 9 . 1 1 68 68 ARG N N 68 116.824 116.824 118.818 -1.994 18953 8050 1 9 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.429 -0.274 18953 8051 1 9 . 1 1 68 68 ARG C C 68 171.982 171.982 176.746 -4.764 18953 8052 1 9 . 1 1 68 68 ARG CA C 68 58.600 58.600 57.535 1.065 18953 8053 1 9 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.482 0.574 18953 8054 1 9 . 1 1 68 68 ARG H H 68 6.919 6.919 8.314 -1.395 18953 8055 1 9 . 1 1 69 69 THR N N 69 111.292 111.292 114.254 -2.962 18953 8056 1 9 . 1 1 69 69 THR HA H 69 4.101 4.101 4.280 -0.179 18953 8057 1 9 . 1 1 69 69 THR C C 69 174.584 174.584 174.549 0.035 18953 8058 1 9 . 1 1 69 69 THR CA C 69 65.512 65.512 64.729 0.783 18953 8059 1 9 . 1 1 69 69 THR CB C 69 68.821 68.821 68.985 -0.164 18953 8060 1 9 . 1 1 69 69 THR H H 69 8.020 8.020 8.061 -0.041 18953 8061 1 9 . 1 1 70 70 MET N N 70 117.481 117.481 117.860 -0.379 18953 8062 1 9 . 1 1 70 70 MET HA H 70 4.496 4.496 4.661 -0.165 18953 8063 1 9 . 1 1 70 70 MET C C 70 175.015 175.015 176.755 -1.740 18953 8064 1 9 . 1 1 70 70 MET CA C 70 56.029 56.029 54.948 1.081 18953 8065 1 9 . 1 1 70 70 MET CB C 70 33.013 33.013 34.446 -1.433 18953 8066 1 9 . 1 1 70 70 MET H H 70 8.315 8.315 7.578 0.737 18953 8067 1 9 . 1 1 71 71 GLY N N 71 108.537 108.537 108.889 -0.352 18953 8068 1 9 . 1 1 71 71 GLY C C 71 176.534 176.534 173.253 3.281 18953 8069 1 9 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.383 1.827 18953 8070 1 9 . 1 1 71 71 GLY H H 71 7.352 7.352 7.897 -0.545 18953 8071 1 9 . 1 1 72 72 MET N N 72 118.363 118.363 117.775 0.588 18953 8072 1 9 . 1 1 72 72 MET HA H 72 4.375 4.375 4.808 -0.433 18953 8073 1 9 . 1 1 72 72 MET C C 72 176.034 176.034 175.374 0.660 18953 8074 1 9 . 1 1 72 72 MET CA C 72 55.884 55.884 54.211 1.673 18953 8075 1 9 . 1 1 72 72 MET CB C 72 35.756 35.756 35.591 0.165 18953 8076 1 9 . 1 1 72 72 MET H H 72 7.888 7.888 7.494 0.394 18953 8077 1 9 . 1 1 73 73 ASN N N 73 119.052 119.052 122.853 -3.801 18953 8078 1 9 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.902 -0.181 18953 8079 1 9 . 1 1 73 73 ASN C C 73 177.307 177.307 174.319 2.988 18953 8080 1 9 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.574 1.292 18953 8081 1 9 . 1 1 73 73 ASN CB C 73 39.872 39.872 37.407 2.466 18953 8082 1 9 . 1 1 73 73 ASN H H 73 8.956 8.956 8.845 0.111 18953 8083 1 9 . 1 1 74 74 ASP N N 74 118.536 118.536 116.488 2.048 18953 8084 1 9 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.611 0.265 18953 8085 1 9 . 1 1 74 74 ASP C C 74 177.595 177.595 174.348 3.247 18953 8086 1 9 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.446 -0.900 18953 8087 1 9 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.041 3.002 18953 8088 1 9 . 1 1 74 74 ASP H H 74 7.831 7.831 7.740 0.091 18953 8089 1 9 . 1 1 75 75 CYS N N 75 116.378 116.378 116.766 -0.388 18953 8090 1 9 . 1 1 75 75 CYS HA H 75 4.661 4.661 4.975 -0.314 18953 8091 1 9 . 1 1 75 75 CYS C C 75 177.301 177.301 175.474 1.827 18953 8092 1 9 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.787 1.285 18953 8093 1 9 . 1 1 75 75 CYS CB C 75 29.613 29.613 30.474 -0.861 18953 8094 1 9 . 1 1 75 75 CYS H H 75 8.527 8.527 8.323 0.204 18953 8095 1 9 . 1 1 76 76 VAL N N 76 116.516 116.516 119.222 -2.706 18953 8096 1 9 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.117 -0.207 18953 8097 1 9 . 1 1 76 76 VAL C C 76 175.906 175.906 176.156 -0.250 18953 8098 1 9 . 1 1 76 76 VAL CA C 76 63.823 63.823 63.871 -0.048 18953 8099 1 9 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.364 0.341 18953 8100 1 9 . 1 1 76 76 VAL H H 76 7.296 7.296 8.504 -1.208 18953 8101 1 9 . 1 1 77 77 ARG N N 77 120.435 120.435 122.848 -2.413 18953 8102 1 9 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.527 -0.147 18953 8103 1 9 . 1 1 77 77 ARG C C 77 175.519 175.519 176.245 -0.726 18953 8104 1 9 . 1 1 77 77 ARG CA C 77 55.408 55.408 55.431 -0.023 18953 8105 1 9 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.124 2.088 18953 8106 1 9 . 1 1 77 77 ARG H H 77 8.923 8.923 8.732 0.191 18953 8107 1 9 . 1 1 78 78 SER N N 78 110.315 110.315 113.943 -3.628 18953 8108 1 9 . 1 1 78 78 SER HA H 78 4.533 4.533 5.402 -0.869 18953 8109 1 9 . 1 1 78 78 SER C C 78 177.603 177.603 172.480 5.123 18953 8110 1 9 . 1 1 78 78 SER CA C 78 59.512 59.512 57.257 2.255 18953 8111 1 9 . 1 1 78 78 SER CB C 78 65.883 65.883 65.911 -0.028 18953 8112 1 9 . 1 1 78 78 SER H H 78 8.100 8.100 8.170 -0.070 18953 8113 1 9 . 1 1 79 79 CYS N N 79 112.901 112.901 116.993 -4.092 18953 8114 1 9 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.436 0.881 18953 8115 1 9 . 1 1 79 79 CYS C C 79 179.601 179.601 172.428 7.173 18953 8116 1 9 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.834 -1.355 18953 8117 1 9 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.163 0.186 18953 8118 1 9 . 1 1 79 79 CYS H H 79 9.438 9.438 9.266 0.172 18953 8119 1 9 . 1 1 80 80 ARG N N 80 122.877 122.877 121.182 1.695 18953 8120 1 9 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.737 0.290 18953 8121 1 9 . 1 1 80 80 ARG C C 80 176.888 176.888 173.813 3.075 18953 8122 1 9 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.481 0.205 18953 8123 1 9 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.163 0.523 18953 8124 1 9 . 1 1 80 80 ARG H H 80 10.005 10.005 8.990 1.015 18953 8125 1 9 . 1 1 81 81 MET N N 81 125.699 125.699 121.170 4.529 18953 8126 1 9 . 1 1 81 81 MET HA H 81 3.494 3.494 4.575 -1.081 18953 8127 1 9 . 1 1 81 81 MET C C 81 176.369 176.369 174.853 1.516 18953 8128 1 9 . 1 1 81 81 MET CA C 81 55.587 55.587 55.433 0.154 18953 8129 1 9 . 1 1 81 81 MET CB C 81 34.241 34.241 34.611 -0.370 18953 8130 1 9 . 1 1 81 81 MET H H 81 9.198 9.198 8.427 0.771 18953 8131 1 9 . 1 1 82 82 ILE N N 82 131.119 131.119 121.227 9.892 18953 8132 1 9 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.480 -0.446 18953 8133 1 9 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.378 0.472 18953 8134 1 9 . 1 1 82 82 ILE CB C 82 38.193 38.193 38.350 -0.157 18953 8135 1 9 . 1 1 82 82 ILE H H 82 7.744 7.744 8.288 -0.544 18953 8136 1 9 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.397 -0.197 18953 8137 1 9 . 1 1 83 83 PRO C C 83 176.434 176.434 176.648 -0.214 18953 8138 1 9 . 1 1 83 83 PRO CA C 83 62.426 62.426 61.942 0.484 18953 8139 1 9 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.033 0.361 18953 8140 1 9 . 1 1 84 84 LEU N N 84 120.509 120.509 122.277 -1.768 18953 8141 1 9 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.339 -0.099 18953 8142 1 9 . 1 1 84 84 LEU C C 84 174.899 174.899 176.202 -1.303 18953 8143 1 9 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.514 0.013 18953 8144 1 9 . 1 1 84 84 LEU CB C 84 41.560 41.560 39.720 1.840 18953 8145 1 9 . 1 1 84 84 LEU H H 84 7.873 7.873 8.439 -0.566 18953 8146 1 9 . 1 1 85 85 HIS N N 85 125.245 125.245 120.322 4.923 18953 8147 1 9 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.788 -0.204 18953 8148 1 9 . 1 1 85 85 HIS CA C 85 56.167 56.167 55.362 0.805 18953 8149 1 9 . 1 1 85 85 HIS CB C 85 32.644 32.644 29.344 3.300 18953 8150 1 9 . 1 1 85 85 HIS H H 85 8.600 8.600 8.419 0.181 18953 8151 1 9 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.753 0.008 18953 8152 1 9 . 1 1 86 86 HIS C C 86 177.250 177.250 174.322 2.928 18953 8153 1 9 . 1 1 86 86 HIS CA C 86 54.709 54.709 54.536 0.173 18953 8154 1 9 . 1 1 86 86 HIS CB C 86 29.670 29.670 30.800 -1.130 18953 8155 1 9 . 1 1 86 86 HIS H H 86 8.500 8.500 8.750 -0.250 18953 8156 1 9 . 1 1 87 87 GLY N N 87 107.909 107.909 110.900 -2.991 18953 8157 1 9 . 1 1 87 87 GLY C C 87 178.627 178.627 173.960 4.667 18953 8158 1 9 . 1 1 87 87 GLY CA C 87 44.861 44.861 45.185 -0.325 18953 8159 1 9 . 1 1 87 87 GLY H H 87 6.662 6.662 8.651 -1.989 18953 8160 1 9 . 1 1 88 88 SER N N 88 116.742 116.742 115.261 1.481 18953 8161 1 9 . 1 1 88 88 SER HA H 88 4.528 4.528 4.754 -0.226 18953 8162 1 9 . 1 1 88 88 SER C C 88 178.527 178.527 172.834 5.693 18953 8163 1 9 . 1 1 88 88 SER CA C 88 58.279 58.279 57.728 0.551 18953 8164 1 9 . 1 1 88 88 SER CB C 88 64.360 64.360 66.388 -2.028 18953 8165 1 9 . 1 1 88 88 SER H H 88 8.235 8.235 7.865 0.370 18953 8166 1 9 . 1 1 89 89 PHE N N 89 119.985 119.985 121.316 -1.331 18953 8167 1 9 . 1 1 89 89 PHE HA H 89 4.568 4.568 4.885 -0.317 18953 8168 1 9 . 1 1 89 89 PHE C C 89 176.551 176.551 175.338 1.213 18953 8169 1 9 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.668 -0.933 18953 8170 1 9 . 1 1 89 89 PHE CB C 89 41.321 41.321 41.095 0.226 18953 8171 1 9 . 1 1 89 89 PHE H H 89 8.478 8.478 8.796 -0.318 18953 8172 1 9 . 1 1 90 90 LYS N N 90 122.179 122.179 128.236 -6.057 18953 8173 1 9 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.617 0.539 18953 8174 1 9 . 1 1 90 90 LYS C C 90 177.501 177.501 173.872 3.629 18953 8175 1 9 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.121 1.691 18953 8176 1 9 . 1 1 90 90 LYS CB C 90 35.701 35.701 35.853 -0.152 18953 8177 1 9 . 1 1 90 90 LYS H H 90 9.130 9.130 8.792 0.338 18953 8178 1 9 . 1 1 91 91 MET N N 91 127.037 127.037 126.461 0.576 18953 8179 1 9 . 1 1 91 91 MET HA H 91 4.835 4.835 4.696 0.139 18953 8180 1 9 . 1 1 91 91 MET C C 91 179.276 179.276 174.204 5.072 18953 8181 1 9 . 1 1 91 91 MET CA C 91 54.527 54.527 53.600 0.927 18953 8182 1 9 . 1 1 91 91 MET CB C 91 36.920 36.920 35.511 1.409 18953 8183 1 9 . 1 1 91 91 MET H H 91 9.202 9.202 9.100 0.102 18953 8184 1 9 . 1 1 92 92 ARG N N 92 121.520 121.520 126.797 -5.277 18953 8185 1 9 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.557 0.311 18953 8186 1 9 . 1 1 92 92 ARG C C 92 177.432 177.432 174.944 2.488 18953 8187 1 9 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.234 -0.236 18953 8188 1 9 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.094 3.391 18953 8189 1 9 . 1 1 92 92 ARG H H 92 8.776 8.776 8.988 -0.212 18953 8190 1 9 . 1 1 93 93 LEU N N 93 124.749 124.749 125.246 -0.497 18953 8191 1 9 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.461 -0.186 18953 8192 1 9 . 1 1 93 93 LEU C C 93 176.662 176.662 175.046 1.616 18953 8193 1 9 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.882 -0.186 18953 8194 1 9 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.515 0.375 18953 8195 1 9 . 1 1 93 93 LEU H H 93 8.841 8.841 8.579 0.262 18953 8196 1 9 . 1 1 94 94 TYR N N 94 116.673 116.673 120.256 -3.583 18953 8197 1 9 . 1 1 94 94 TYR HA H 94 5.424 5.424 5.029 0.395 18953 8198 1 9 . 1 1 94 94 TYR C C 94 175.232 175.232 175.589 -0.357 18953 8199 1 9 . 1 1 94 94 TYR CA C 94 57.061 57.061 56.996 0.065 18953 8200 1 9 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.899 -1.536 18953 8201 1 9 . 1 1 94 94 TYR H H 94 8.161 8.161 8.976 -0.815 18953 8202 1 9 . 1 1 95 95 GLU N N 95 121.556 121.556 123.395 -1.839 18953 8203 1 9 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.122 -0.088 18953 8204 1 9 . 1 1 95 95 GLU C C 95 174.587 174.587 176.249 -1.662 18953 8205 1 9 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.315 0.645 18953 8206 1 9 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.157 3.367 18953 8207 1 9 . 1 1 95 95 GLU H H 95 8.537 8.537 8.482 0.055 18953 8208 1 9 . 1 1 96 96 HIS N N 96 113.214 113.214 116.570 -3.356 18953 8209 1 9 . 1 1 96 96 HIS HA H 96 5.306 5.306 5.130 0.176 18953 8210 1 9 . 1 1 96 96 HIS C C 96 175.830 175.830 175.438 0.392 18953 8211 1 9 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.836 -0.690 18953 8212 1 9 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.353 1.011 18953 8213 1 9 . 1 1 96 96 HIS H H 96 8.154 8.154 7.762 0.392 18953 8214 1 9 . 1 1 97 97 SER N N 97 115.997 115.997 115.897 0.100 18953 8215 1 9 . 1 1 97 97 SER HA H 97 4.196 4.196 4.695 -0.499 18953 8216 1 9 . 1 1 97 97 SER C C 97 177.588 177.588 175.066 2.522 18953 8217 1 9 . 1 1 97 97 SER CA C 97 59.180 59.180 59.644 -0.464 18953 8218 1 9 . 1 1 97 97 SER CB C 97 63.740 63.740 64.006 -0.266 18953 8219 1 9 . 1 1 97 97 SER H H 97 8.728 8.728 8.724 0.004 18953 8220 1 9 . 1 1 98 98 ASP N N 98 116.560 116.560 120.539 -3.979 18953 8221 1 9 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.162 -0.197 18953 8222 1 9 . 1 1 98 98 ASP C C 98 176.991 176.991 176.106 0.885 18953 8223 1 9 . 1 1 98 98 ASP CA C 98 56.873 56.873 56.779 0.094 18953 8224 1 9 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.662 -0.148 18953 8225 1 9 . 1 1 98 98 ASP H H 98 9.714 9.714 8.762 0.952 18953 8226 1 9 . 1 1 99 99 MET N N 99 112.109 112.109 120.738 -8.629 18953 8227 1 9 . 1 1 99 99 MET HA H 99 2.689 2.689 4.076 -1.387 18953 8228 1 9 . 1 1 99 99 MET C C 99 176.133 176.133 174.182 1.951 18953 8229 1 9 . 1 1 99 99 MET CA C 99 56.596 56.596 54.803 1.794 18953 8230 1 9 . 1 1 99 99 MET CB C 99 27.203 27.203 33.727 -6.524 18953 8231 1 9 . 1 1 99 99 MET H H 99 8.425 8.425 8.046 0.379 18953 8232 1 9 . 1 1 100 100 GLY N N 100 104.572 104.572 107.152 -2.580 18953 8233 1 9 . 1 1 100 100 GLY C C 100 177.855 177.855 174.090 3.765 18953 8234 1 9 . 1 1 100 100 GLY CA C 100 44.345 44.345 44.066 0.279 18953 8235 1 9 . 1 1 100 100 GLY H H 100 6.670 6.670 7.518 -0.848 18953 8236 1 9 . 1 1 101 101 GLY N N 101 105.792 105.792 107.948 -2.156 18953 8237 1 9 . 1 1 101 101 GLY C C 101 177.525 177.525 173.764 3.761 18953 8238 1 9 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.511 0.595 18953 8239 1 9 . 1 1 101 101 GLY H H 101 8.446 8.446 8.235 0.211 18953 8240 1 9 . 1 1 102 102 ARG N N 102 121.688 121.688 122.772 -1.084 18953 8241 1 9 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.479 -0.481 18953 8242 1 9 . 1 1 102 102 ARG C C 102 177.803 177.803 175.767 2.036 18953 8243 1 9 . 1 1 102 102 ARG CA C 102 58.368 58.368 54.769 3.599 18953 8244 1 9 . 1 1 102 102 ARG CB C 102 31.684 31.684 31.700 -0.016 18953 8245 1 9 . 1 1 102 102 ARG H H 102 8.785 8.785 8.126 0.659 18953 8246 1 9 . 1 1 103 103 MET N N 103 122.371 122.371 122.153 0.218 18953 8247 1 9 . 1 1 103 103 MET HA H 103 4.754 4.754 4.756 -0.002 18953 8248 1 9 . 1 1 103 103 MET C C 103 175.490 175.490 175.253 0.237 18953 8249 1 9 . 1 1 103 103 MET CA C 103 53.993 53.993 53.997 -0.004 18953 8250 1 9 . 1 1 103 103 MET CB C 103 34.860 34.860 32.796 2.064 18953 8251 1 9 . 1 1 103 103 MET H H 103 7.905 7.905 8.370 -0.465 18953 8252 1 9 . 1 1 104 104 MET N N 104 127.629 127.629 122.419 5.210 18953 8253 1 9 . 1 1 104 104 MET HA H 104 4.318 4.318 4.596 -0.278 18953 8254 1 9 . 1 1 104 104 MET C C 104 177.870 177.870 175.324 2.546 18953 8255 1 9 . 1 1 104 104 MET CA C 104 54.080 54.080 53.163 0.916 18953 8256 1 9 . 1 1 104 104 MET CB C 104 35.315 35.315 32.816 2.499 18953 8257 1 9 . 1 1 104 104 MET H H 104 8.796 8.796 8.039 0.757 18953 8258 1 9 . 1 1 105 105 GLU N N 105 123.753 123.753 122.677 1.076 18953 8259 1 9 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.669 0.177 18953 8260 1 9 . 1 1 105 105 GLU C C 105 176.871 176.871 175.167 1.704 18953 8261 1 9 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.731 -0.043 18953 8262 1 9 . 1 1 105 105 GLU CB C 105 33.515 33.515 30.642 2.873 18953 8263 1 9 . 1 1 105 105 GLU H H 105 8.467 8.467 8.767 -0.300 18953 8264 1 9 . 1 1 106 106 LEU N N 106 125.076 125.076 126.381 -1.305 18953 8265 1 9 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.923 -0.035 18953 8266 1 9 . 1 1 106 106 LEU C C 106 175.666 175.666 175.171 0.495 18953 8267 1 9 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.185 0.715 18953 8268 1 9 . 1 1 106 106 LEU CB C 106 46.797 46.797 45.248 1.549 18953 8269 1 9 . 1 1 106 106 LEU H H 106 8.933 8.933 8.488 0.445 18953 8270 1 9 . 1 1 107 107 MET N N 107 120.889 120.889 120.978 -0.089 18953 8271 1 9 . 1 1 107 107 MET HA H 107 5.152 5.152 5.101 0.051 18953 8272 1 9 . 1 1 107 107 MET C C 107 177.873 177.873 174.969 2.904 18953 8273 1 9 . 1 1 107 107 MET CA C 107 55.430 55.430 55.527 -0.097 18953 8274 1 9 . 1 1 107 107 MET CB C 107 35.107 35.107 33.457 1.650 18953 8275 1 9 . 1 1 107 107 MET H H 107 9.099 9.099 8.865 0.234 18953 8276 1 9 . 1 1 108 108 ASP N N 108 120.261 120.261 119.186 1.075 18953 8277 1 9 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.895 -0.446 18953 8278 1 9 . 1 1 108 108 ASP C C 108 178.998 178.998 174.163 4.835 18953 8279 1 9 . 1 1 108 108 ASP CA C 108 51.953 51.953 52.504 -0.551 18953 8280 1 9 . 1 1 108 108 ASP CB C 108 43.335 43.335 42.456 0.879 18953 8281 1 9 . 1 1 108 108 ASP H H 108 7.874 7.874 8.063 -0.189 18953 8282 1 9 . 1 1 109 109 ASP N N 109 115.191 115.191 118.414 -3.223 18953 8283 1 9 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.684 0.154 18953 8284 1 9 . 1 1 109 109 ASP C C 109 174.768 174.768 176.090 -1.322 18953 8285 1 9 . 1 1 109 109 ASP CA C 109 55.106 55.106 53.652 1.454 18953 8286 1 9 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.331 -0.273 18953 8287 1 9 . 1 1 109 109 ASP H H 109 8.065 8.065 8.417 -0.352 18953 8288 1 9 . 1 1 110 110 CYS N N 110 120.716 120.716 121.895 -1.179 18953 8289 1 9 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.924 0.215 18953 8290 1 9 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.674 0.143 18953 8291 1 9 . 1 1 110 110 CYS CB C 110 29.730 29.730 27.306 2.424 18953 8292 1 9 . 1 1 110 110 CYS H H 110 9.583 9.583 8.488 1.095 18953 8293 1 9 . 1 1 111 111 PRO HA H 111 3.971 3.971 3.961 0.010 18953 8294 1 9 . 1 1 111 111 PRO CA C 111 64.144 64.144 63.905 0.239 18953 8295 1 9 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.170 -0.262 18953 8296 1 9 . 1 1 112 112 ASN N N 112 116.300 116.300 115.681 0.619 18953 8297 1 9 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.914 -0.139 18953 8298 1 9 . 1 1 112 112 ASN C C 112 175.948 175.948 175.157 0.791 18953 8299 1 9 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.601 1.520 18953 8300 1 9 . 1 1 112 112 ASN CB C 112 38.709 38.709 39.979 -1.270 18953 8301 1 9 . 1 1 112 112 ASN H H 112 7.385 7.385 7.765 -0.380 18953 8302 1 9 . 1 1 113 113 LEU N N 113 129.895 129.895 124.118 5.777 18953 8303 1 9 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.089 0.068 18953 8304 1 9 . 1 1 113 113 LEU C C 113 173.709 173.709 178.014 -4.305 18953 8305 1 9 . 1 1 113 113 LEU CA C 113 58.889 58.889 58.417 0.472 18953 8306 1 9 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.338 0.113 18953 8307 1 9 . 1 1 113 113 LEU H H 113 8.154 8.154 8.459 -0.305 18953 8308 1 9 . 1 1 114 114 MET N N 114 120.939 120.939 117.645 3.294 18953 8309 1 9 . 1 1 114 114 MET HA H 114 4.204 4.204 4.139 0.065 18953 8310 1 9 . 1 1 114 114 MET C C 114 171.942 171.942 177.941 -5.999 18953 8311 1 9 . 1 1 114 114 MET CA C 114 58.354 58.354 58.356 -0.002 18953 8312 1 9 . 1 1 114 114 MET CB C 114 31.118 31.118 31.568 -0.450 18953 8313 1 9 . 1 1 114 114 MET H H 114 8.421 8.421 8.237 0.184 18953 8314 1 9 . 1 1 115 115 ASP N N 115 119.204 119.204 117.281 1.923 18953 8315 1 9 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.562 -0.289 18953 8316 1 9 . 1 1 115 115 ASP C C 115 174.228 174.228 177.670 -3.442 18953 8317 1 9 . 1 1 115 115 ASP CA C 115 56.737 56.737 56.074 0.663 18953 8318 1 9 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.470 0.151 18953 8319 1 9 . 1 1 115 115 ASP H H 115 7.695 7.695 7.733 -0.038 18953 8320 1 9 . 1 1 116 116 ARG N N 116 116.937 116.937 118.857 -1.920 18953 8321 1 9 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.083 -0.025 18953 8322 1 9 . 1 1 116 116 ARG C C 116 174.084 174.084 177.496 -3.412 18953 8323 1 9 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.580 -0.741 18953 8324 1 9 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.945 1.154 18953 8325 1 9 . 1 1 116 116 ARG H H 116 7.118 7.118 7.338 -0.220 18953 8326 1 9 . 1 1 117 117 PHE N N 117 113.914 113.914 114.817 -0.903 18953 8327 1 9 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.656 0.469 18953 8328 1 9 . 1 1 117 117 PHE C C 117 175.681 175.681 174.573 1.108 18953 8329 1 9 . 1 1 117 117 PHE CA C 117 57.040 57.040 57.492 -0.452 18953 8330 1 9 . 1 1 117 117 PHE CB C 117 41.881 41.881 40.084 1.797 18953 8331 1 9 . 1 1 117 117 PHE H H 117 8.641 8.641 7.865 0.776 18953 8332 1 9 . 1 1 118 118 ASN N N 118 117.137 117.137 115.091 2.046 18953 8333 1 9 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.667 0.179 18953 8334 1 9 . 1 1 118 118 ASN C C 118 177.553 177.553 174.437 3.116 18953 8335 1 9 . 1 1 118 118 ASN CA C 118 55.038 55.038 53.963 1.075 18953 8336 1 9 . 1 1 118 118 ASN CB C 118 38.049 38.049 36.847 1.202 18953 8337 1 9 . 1 1 118 118 ASN H H 118 8.478 8.478 7.964 0.514 18953 8338 1 9 . 1 1 119 119 MET N N 119 114.316 114.316 114.140 0.176 18953 8339 1 9 . 1 1 119 119 MET HA H 119 4.386 4.386 4.741 -0.355 18953 8340 1 9 . 1 1 119 119 MET C C 119 178.321 178.321 173.650 4.671 18953 8341 1 9 . 1 1 119 119 MET CA C 119 55.950 55.950 54.813 1.137 18953 8342 1 9 . 1 1 119 119 MET CB C 119 37.233 37.233 35.541 1.692 18953 8343 1 9 . 1 1 119 119 MET H H 119 7.286 7.286 7.482 -0.196 18953 8344 1 9 . 1 1 120 120 SER N N 120 111.310 111.310 115.351 -4.041 18953 8345 1 9 . 1 1 120 120 SER HA H 120 4.682 4.682 4.998 -0.316 18953 8346 1 9 . 1 1 120 120 SER C C 120 179.047 179.047 172.531 6.516 18953 8347 1 9 . 1 1 120 120 SER CA C 120 57.435 57.435 57.809 -0.374 18953 8348 1 9 . 1 1 120 120 SER CB C 120 65.594 65.594 64.894 0.700 18953 8349 1 9 . 1 1 120 120 SER H H 120 8.361 8.361 8.502 -0.141 18953 8350 1 9 . 1 1 121 121 ASP N N 121 120.422 120.422 120.723 -0.301 18953 8351 1 9 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.369 -0.287 18953 8352 1 9 . 1 1 121 121 ASP C C 121 177.532 177.532 174.865 2.667 18953 8353 1 9 . 1 1 121 121 ASP CA C 121 53.630 53.630 52.680 0.950 18953 8354 1 9 . 1 1 121 121 ASP CB C 121 43.513 43.513 41.065 2.448 18953 8355 1 9 . 1 1 121 121 ASP H H 121 6.829 6.829 7.293 -0.464 18953 8356 1 9 . 1 1 122 122 PHE N N 122 120.611 120.611 120.595 0.016 18953 8357 1 9 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.522 0.173 18953 8358 1 9 . 1 1 122 122 PHE C C 122 177.316 177.316 175.076 2.240 18953 8359 1 9 . 1 1 122 122 PHE CA C 122 57.660 57.660 55.709 1.951 18953 8360 1 9 . 1 1 122 122 PHE CB C 122 40.871 40.871 40.367 0.504 18953 8361 1 9 . 1 1 122 122 PHE H H 122 8.376 8.376 8.173 0.203 18953 8362 1 9 . 1 1 123 123 HIS N N 123 116.193 116.193 118.589 -2.396 18953 8363 1 9 . 1 1 123 123 HIS HA H 123 4.765 4.765 5.020 -0.255 18953 8364 1 9 . 1 1 123 123 HIS C C 123 176.431 176.431 174.939 1.492 18953 8365 1 9 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.319 1.285 18953 8366 1 9 . 1 1 123 123 HIS CB C 123 33.280 33.280 32.010 1.270 18953 8367 1 9 . 1 1 123 123 HIS H H 123 7.577 7.577 8.349 -0.772 18953 8368 1 9 . 1 1 124 124 SER N N 124 107.332 107.332 113.363 -6.031 18953 8369 1 9 . 1 1 124 124 SER HA H 124 4.698 4.698 5.240 -0.542 18953 8370 1 9 . 1 1 124 124 SER C C 124 178.179 178.179 172.429 5.750 18953 8371 1 9 . 1 1 124 124 SER CA C 124 59.556 59.556 57.556 2.000 18953 8372 1 9 . 1 1 124 124 SER CB C 124 65.667 65.667 65.304 0.363 18953 8373 1 9 . 1 1 124 124 SER H H 124 8.256 8.256 8.361 -0.105 18953 8374 1 9 . 1 1 125 125 CYS N N 125 113.874 113.874 122.549 -8.675 18953 8375 1 9 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.484 0.068 18953 8376 1 9 . 1 1 125 125 CYS C C 125 179.655 179.655 172.434 7.221 18953 8377 1 9 . 1 1 125 125 CYS CA C 125 57.871 57.871 57.864 0.007 18953 8378 1 9 . 1 1 125 125 CYS CB C 125 30.586 30.586 30.593 -0.007 18953 8379 1 9 . 1 1 125 125 CYS H H 125 9.561 9.561 8.876 0.685 18953 8380 1 9 . 1 1 126 126 HIS N N 126 124.829 124.829 121.843 2.986 18953 8381 1 9 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.162 0.319 18953 8382 1 9 . 1 1 126 126 HIS C C 126 176.575 176.575 173.076 3.499 18953 8383 1 9 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.315 -2.008 18953 8384 1 9 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.950 1.173 18953 8385 1 9 . 1 1 126 126 HIS H H 126 9.858 9.858 8.983 0.875 18953 8386 1 9 . 1 1 127 127 VAL N N 127 128.620 128.620 124.994 3.626 18953 8387 1 9 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.201 -0.327 18953 8388 1 9 . 1 1 127 127 VAL C C 127 176.660 176.660 174.672 1.988 18953 8389 1 9 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.503 1.982 18953 8390 1 9 . 1 1 127 127 VAL CB C 127 30.999 30.999 32.984 -1.985 18953 8391 1 9 . 1 1 127 127 VAL H H 127 9.408 9.408 7.980 1.428 18953 8392 1 9 . 1 1 128 128 MET N N 128 129.466 129.466 126.727 2.739 18953 8393 1 9 . 1 1 128 128 MET HA H 128 3.930 3.930 4.607 -0.677 18953 8394 1 9 . 1 1 128 128 MET C C 128 176.093 176.093 175.716 0.377 18953 8395 1 9 . 1 1 128 128 MET CA C 128 58.109 58.109 57.644 0.465 18953 8396 1 9 . 1 1 128 128 MET CB C 128 34.019 34.019 33.801 0.218 18953 8397 1 9 . 1 1 128 128 MET H H 128 7.906 7.906 8.599 -0.693 18953 8398 1 9 . 1 1 129 129 ASP N N 129 116.435 116.435 115.510 0.925 18953 8399 1 9 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.583 0.249 18953 8400 1 9 . 1 1 129 129 ASP C C 129 174.959 174.959 174.683 0.276 18953 8401 1 9 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.095 0.085 18953 8402 1 9 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.587 2.544 18953 8403 1 9 . 1 1 129 129 ASP H H 129 8.349 8.349 7.509 0.840 18953 8404 1 9 . 1 1 130 130 GLY N N 130 113.062 113.062 108.145 4.917 18953 8405 1 9 . 1 1 130 130 GLY C C 130 183.642 183.642 172.295 11.347 18953 8406 1 9 . 1 1 130 130 GLY CA C 130 44.472 44.472 45.265 -0.793 18953 8407 1 9 . 1 1 130 130 GLY H H 130 8.479 8.479 8.298 0.181 18953 8408 1 9 . 1 1 131 131 HIS N N 131 114.389 114.389 119.039 -4.650 18953 8409 1 9 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.776 0.226 18953 8410 1 9 . 1 1 131 131 HIS C C 131 176.470 176.470 173.389 3.081 18953 8411 1 9 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.350 0.968 18953 8412 1 9 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.759 1.276 18953 8413 1 9 . 1 1 131 131 HIS H H 131 6.228 6.228 7.560 -1.332 18953 8414 1 9 . 1 1 132 132 TRP N N 132 122.333 122.333 120.435 1.898 18953 8415 1 9 . 1 1 132 132 TRP HA H 132 5.135 5.135 4.959 0.176 18953 8416 1 9 . 1 1 132 132 TRP C C 132 177.557 177.557 174.454 3.103 18953 8417 1 9 . 1 1 132 132 TRP CA C 132 56.896 56.896 56.121 0.775 18953 8418 1 9 . 1 1 132 132 TRP CB C 132 33.795 33.795 32.769 1.026 18953 8419 1 9 . 1 1 132 132 TRP H H 132 8.838 8.838 8.789 0.049 18953 8420 1 9 . 1 1 133 133 LEU N N 133 121.883 121.883 121.883 0.000 18953 8421 1 9 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.309 -0.187 18953 8422 1 9 . 1 1 133 133 LEU C C 133 176.457 176.457 175.980 0.477 18953 8423 1 9 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.057 -0.521 18953 8424 1 9 . 1 1 133 133 LEU CB C 133 46.570 46.570 44.098 2.472 18953 8425 1 9 . 1 1 133 133 LEU H H 133 9.403 9.403 9.188 0.215 18953 8426 1 9 . 1 1 134 134 VAL N N 134 123.013 123.013 121.694 1.319 18953 8427 1 9 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.440 0.119 18953 8428 1 9 . 1 1 134 134 VAL C C 134 177.780 177.780 174.454 3.326 18953 8429 1 9 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.333 -0.384 18953 8430 1 9 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.771 -0.682 18953 8431 1 9 . 1 1 134 134 VAL H H 134 8.948 8.948 9.097 -0.149 18953 8432 1 9 . 1 1 135 135 TYR N N 135 122.405 122.405 125.133 -2.728 18953 8433 1 9 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.713 0.827 18953 8434 1 9 . 1 1 135 135 TYR C C 135 172.456 172.456 175.730 -3.274 18953 8435 1 9 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.910 -0.913 18953 8436 1 9 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.613 -0.868 18953 8437 1 9 . 1 1 135 135 TYR H H 135 9.068 9.068 9.493 -0.425 18953 8438 1 9 . 1 1 136 136 GLU N N 136 121.335 121.335 124.232 -2.897 18953 8439 1 9 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.355 -0.252 18953 8440 1 9 . 1 1 136 136 GLU C C 136 176.022 176.022 176.805 -0.783 18953 8441 1 9 . 1 1 136 136 GLU CA C 136 59.896 59.896 58.938 0.958 18953 8442 1 9 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.456 2.471 18953 8443 1 9 . 1 1 136 136 GLU H H 136 9.360 9.360 8.308 1.052 18953 8444 1 9 . 1 1 137 137 GLN N N 137 111.530 111.530 116.073 -4.543 18953 8445 1 9 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.845 0.122 18953 8446 1 9 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.720 0.113 18953 8447 1 9 . 1 1 137 137 GLN CB C 137 29.142 29.142 30.631 -1.490 18953 8448 1 9 . 1 1 137 137 GLN H H 137 7.808 7.808 8.056 -0.248 18953 8449 1 9 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.183 -0.041 18953 8450 1 9 . 1 1 138 138 PRO C C 138 176.607 176.607 176.997 -0.390 18953 8451 1 9 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.348 -0.887 18953 8452 1 9 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.603 0.590 18953 8453 1 9 . 1 1 139 139 ASN N N 139 113.240 113.240 117.680 -4.440 18953 8454 1 9 . 1 1 139 139 ASN HA H 139 3.356 3.356 3.877 -0.521 18953 8455 1 9 . 1 1 139 139 ASN C C 139 177.996 177.996 173.943 4.053 18953 8456 1 9 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.044 0.203 18953 8457 1 9 . 1 1 139 139 ASN CB C 139 36.635 36.635 37.767 -1.132 18953 8458 1 9 . 1 1 139 139 ASN H H 139 9.683 9.683 7.985 1.698 18953 8459 1 9 . 1 1 140 140 TYR N N 140 113.289 113.289 109.737 3.552 18953 8460 1 9 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.087 -0.327 18953 8461 1 9 . 1 1 140 140 TYR C C 140 176.488 176.488 174.124 2.364 18953 8462 1 9 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.696 -3.400 18953 8463 1 9 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.439 -0.479 18953 8464 1 9 . 1 1 140 140 TYR H H 140 8.000 8.000 7.750 0.250 18953 8465 1 9 . 1 1 141 141 THR N N 141 108.766 108.766 113.375 -4.609 18953 8466 1 9 . 1 1 141 141 THR HA H 141 4.697 4.697 4.668 0.029 18953 8467 1 9 . 1 1 141 141 THR C C 141 178.578 178.578 173.690 4.888 18953 8468 1 9 . 1 1 141 141 THR CA C 141 60.128 60.128 61.284 -1.156 18953 8469 1 9 . 1 1 141 141 THR CB C 141 72.848 72.848 72.151 0.697 18953 8470 1 9 . 1 1 141 141 THR H H 141 6.280 6.280 7.643 -1.363 18953 8471 1 9 . 1 1 142 142 GLY N N 142 106.121 106.121 108.597 -2.476 18953 8472 1 9 . 1 1 142 142 GLY C C 142 177.117 177.117 173.310 3.807 18953 8473 1 9 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.656 -0.489 18953 8474 1 9 . 1 1 142 142 GLY H H 142 8.285 8.285 8.335 -0.050 18953 8475 1 9 . 1 1 143 143 ARG N N 143 120.212 120.212 120.391 -0.179 18953 8476 1 9 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.968 -0.032 18953 8477 1 9 . 1 1 143 143 ARG C C 143 177.580 177.580 176.250 1.330 18953 8478 1 9 . 1 1 143 143 ARG CA C 143 58.120 58.120 55.794 2.326 18953 8479 1 9 . 1 1 143 143 ARG CB C 143 31.156 31.156 28.992 2.164 18953 8480 1 9 . 1 1 143 143 ARG H H 143 8.583 8.583 8.316 0.267 18953 8481 1 9 . 1 1 144 144 GLN N N 144 119.516 119.516 120.636 -1.120 18953 8482 1 9 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.688 0.203 18953 8483 1 9 . 1 1 144 144 GLN C C 144 176.985 176.985 174.254 2.731 18953 8484 1 9 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.248 -0.926 18953 8485 1 9 . 1 1 144 144 GLN CB C 144 32.645 32.645 30.171 2.474 18953 8486 1 9 . 1 1 144 144 GLN H H 144 7.552 7.552 7.719 -0.167 18953 8487 1 9 . 1 1 145 145 PHE N N 145 114.745 114.745 118.126 -3.381 18953 8488 1 9 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.842 -0.185 18953 8489 1 9 . 1 1 145 145 PHE C C 145 176.969 176.969 174.496 2.473 18953 8490 1 9 . 1 1 145 145 PHE CA C 145 55.906 55.906 55.829 0.077 18953 8491 1 9 . 1 1 145 145 PHE CB C 145 42.267 42.267 43.032 -0.765 18953 8492 1 9 . 1 1 145 145 PHE H H 145 8.696 8.696 8.522 0.174 18953 8493 1 9 . 1 1 146 146 TYR N N 146 124.271 124.271 124.875 -0.604 18953 8494 1 9 . 1 1 146 146 TYR HA H 146 5.274 5.274 5.110 0.164 18953 8495 1 9 . 1 1 146 146 TYR C C 146 176.212 176.212 174.397 1.815 18953 8496 1 9 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.126 -1.386 18953 8497 1 9 . 1 1 146 146 TYR CB C 146 38.234 38.234 39.328 -1.094 18953 8498 1 9 . 1 1 146 146 TYR H H 146 8.915 8.915 8.593 0.322 18953 8499 1 9 . 1 1 147 147 LEU N N 147 103.207 103.207 129.211 -26.004 18953 8500 1 9 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.598 -0.207 18953 8501 1 9 . 1 1 147 147 LEU C C 147 178.198 178.198 175.637 2.561 18953 8502 1 9 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.080 0.889 18953 8503 1 9 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.493 1.652 18953 8504 1 9 . 1 1 147 147 LEU H H 147 9.229 9.229 8.897 0.332 18953 8505 1 9 . 1 1 148 148 ARG N N 148 120.815 120.815 124.257 -3.442 18953 8506 1 9 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.967 -0.388 18953 8507 1 9 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.808 0.186 18953 8508 1 9 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.623 -0.367 18953 8509 1 9 . 1 1 148 148 ARG H H 148 6.955 6.955 9.149 -2.194 18953 8510 1 9 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.115 0.071 18953 8511 1 9 . 1 1 149 149 PRO C C 149 175.154 175.154 176.695 -1.541 18953 8512 1 9 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.386 1.469 18953 8513 1 9 . 1 1 149 149 PRO CB C 149 31.637 31.637 32.013 -0.376 18953 8514 1 9 . 1 1 150 150 GLY N N 150 111.695 111.695 106.196 5.499 18953 8515 1 9 . 1 1 150 150 GLY C C 150 179.740 179.740 171.611 8.129 18953 8516 1 9 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.273 0.340 18953 8517 1 9 . 1 1 150 150 GLY H H 150 8.965 8.965 7.471 1.494 18953 8518 1 9 . 1 1 151 151 GLU N N 151 118.822 118.822 120.021 -1.199 18953 8519 1 9 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.762 -0.439 18953 8520 1 9 . 1 1 151 151 GLU C C 151 176.078 176.078 174.790 1.288 18953 8521 1 9 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.321 1.232 18953 8522 1 9 . 1 1 151 151 GLU CB C 151 31.878 31.878 32.104 -0.226 18953 8523 1 9 . 1 1 151 151 GLU H H 151 8.403 8.403 8.185 0.218 18953 8524 1 9 . 1 1 152 152 TYR N N 152 123.055 123.055 121.395 1.660 18953 8525 1 9 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.965 -0.225 18953 8526 1 9 . 1 1 152 152 TYR C C 152 176.413 176.413 176.556 -0.143 18953 8527 1 9 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.267 -0.297 18953 8528 1 9 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.345 -2.571 18953 8529 1 9 . 1 1 152 152 TYR H H 152 8.859 8.859 9.264 -0.405 18953 8530 1 9 . 1 1 153 153 ARG N N 153 124.271 124.271 117.179 7.092 18953 8531 1 9 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.628 -0.612 18953 8532 1 9 . 1 1 153 153 ARG C C 153 176.727 176.727 175.570 1.157 18953 8533 1 9 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.585 4.619 18953 8534 1 9 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.192 -1.852 18953 8535 1 9 . 1 1 153 153 ARG H H 153 8.882 8.882 9.163 -0.281 18953 8536 1 9 . 1 1 154 154 SER N N 154 111.500 111.500 113.381 -1.881 18953 8537 1 9 . 1 1 154 154 SER HA H 154 5.194 5.194 4.612 0.582 18953 8538 1 9 . 1 1 154 154 SER C C 154 176.379 176.379 173.273 3.106 18953 8539 1 9 . 1 1 154 154 SER CA C 154 56.894 56.894 56.255 0.639 18953 8540 1 9 . 1 1 154 154 SER CB C 154 66.352 66.352 65.638 0.714 18953 8541 1 9 . 1 1 154 154 SER H H 154 8.070 8.070 7.950 0.120 18953 8542 1 9 . 1 1 155 155 TYR N N 155 119.386 119.386 120.495 -1.109 18953 8543 1 9 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.192 -2.029 18953 8544 1 9 . 1 1 155 155 TYR C C 155 174.639 174.639 176.205 -1.566 18953 8545 1 9 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.630 -2.261 18953 8546 1 9 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.508 0.891 18953 8547 1 9 . 1 1 155 155 TYR H H 155 7.638 7.638 7.373 0.265 18953 8548 1 9 . 1 1 156 156 ASN N N 156 119.038 119.038 115.429 3.609 18953 8549 1 9 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.395 -0.275 18953 8550 1 9 . 1 1 156 156 ASN C C 156 172.889 172.889 175.276 -2.387 18953 8551 1 9 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.551 2.045 18953 8552 1 9 . 1 1 156 156 ASN CB C 156 38.621 38.621 37.865 0.756 18953 8553 1 9 . 1 1 156 156 ASN H H 156 6.819 6.819 7.718 -0.899 18953 8554 1 9 . 1 1 157 157 ASP N N 157 118.338 118.338 121.653 -3.315 18953 8555 1 9 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.440 0.141 18953 8556 1 9 . 1 1 157 157 ASP C C 157 173.908 173.908 176.921 -3.013 18953 8557 1 9 . 1 1 157 157 ASP CA C 157 57.382 57.382 57.210 0.172 18953 8558 1 9 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.385 0.242 18953 8559 1 9 . 1 1 157 157 ASP H H 157 7.791 7.791 7.765 0.026 18953 8560 1 9 . 1 1 158 158 TRP N N 158 114.610 114.610 118.301 -3.691 18953 8561 1 9 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.904 0.430 18953 8562 1 9 . 1 1 158 158 TRP C C 158 175.711 175.711 176.534 -0.823 18953 8563 1 9 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.604 0.465 18953 8564 1 9 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.956 -0.838 18953 8565 1 9 . 1 1 158 158 TRP H H 158 7.000 7.000 6.785 0.215 18953 8566 1 9 . 1 1 159 159 GLY N N 159 108.647 108.647 108.192 0.455 18953 8567 1 9 . 1 1 159 159 GLY C C 159 175.991 175.991 174.363 1.628 18953 8568 1 9 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.331 0.401 18953 8569 1 9 . 1 1 159 159 GLY H H 159 7.588 7.588 7.826 -0.238 18953 8570 1 9 . 1 1 160 160 GLY N N 160 107.348 107.348 106.404 0.944 18953 8571 1 9 . 1 1 160 160 GLY C C 160 178.604 178.604 172.937 5.667 18953 8572 1 9 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.879 1.478 18953 8573 1 9 . 1 1 160 160 GLY H H 160 7.326 7.326 7.752 -0.426 18953 8574 1 9 . 1 1 161 161 VAL N N 161 118.047 118.047 116.066 1.981 18953 8575 1 9 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.148 0.104 18953 8576 1 9 . 1 1 161 161 VAL C C 161 175.118 175.118 175.837 -0.719 18953 8577 1 9 . 1 1 161 161 VAL CA C 161 63.303 63.303 63.347 -0.044 18953 8578 1 9 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.962 -1.127 18953 8579 1 9 . 1 1 161 161 VAL H H 161 8.697 8.697 8.544 0.153 18953 8580 1 9 . 1 1 162 162 THR N N 162 111.630 111.630 110.428 1.202 18953 8581 1 9 . 1 1 162 162 THR HA H 162 3.659 3.659 4.456 -0.797 18953 8582 1 9 . 1 1 162 162 THR C C 162 179.191 179.191 174.500 4.691 18953 8583 1 9 . 1 1 162 162 THR CA C 162 59.431 59.431 60.441 -1.010 18953 8584 1 9 . 1 1 162 162 THR CB C 162 71.935 71.935 71.266 0.669 18953 8585 1 9 . 1 1 162 162 THR H H 162 7.864 7.864 7.544 0.320 18953 8586 1 9 . 1 1 163 163 SER N N 163 112.275 112.275 113.284 -1.009 18953 8587 1 9 . 1 1 163 163 SER HA H 163 4.018 4.018 4.894 -0.876 18953 8588 1 9 . 1 1 163 163 SER C C 163 178.307 178.307 174.425 3.882 18953 8589 1 9 . 1 1 163 163 SER CA C 163 57.968 57.968 58.041 -0.073 18953 8590 1 9 . 1 1 163 163 SER CB C 163 63.093 63.093 64.870 -1.777 18953 8591 1 9 . 1 1 163 163 SER H H 163 7.502 7.502 8.690 -1.188 18953 8592 1 9 . 1 1 164 164 ARG N N 164 122.770 122.770 124.256 -1.486 18953 8593 1 9 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.698 -0.273 18953 8594 1 9 . 1 1 164 164 ARG C C 164 175.003 175.003 175.172 -0.169 18953 8595 1 9 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.694 0.443 18953 8596 1 9 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.795 1.658 18953 8597 1 9 . 1 1 164 164 ARG H H 164 7.578 7.578 7.620 -0.042 18953 8598 1 9 . 1 1 165 165 MET N N 165 122.454 122.454 121.943 0.511 18953 8599 1 9 . 1 1 165 165 MET HA H 165 4.620 4.620 4.965 -0.345 18953 8600 1 9 . 1 1 165 165 MET C C 165 177.244 177.244 175.784 1.460 18953 8601 1 9 . 1 1 165 165 MET CA C 165 56.192 56.192 55.283 0.909 18953 8602 1 9 . 1 1 165 165 MET CB C 165 37.269 37.269 33.784 3.485 18953 8603 1 9 . 1 1 165 165 MET H H 165 8.480 8.480 8.698 -0.218 18953 8604 1 9 . 1 1 166 166 GLY N N 166 107.987 107.987 109.858 -1.871 18953 8605 1 9 . 1 1 166 166 GLY C C 166 177.648 177.648 173.339 4.309 18953 8606 1 9 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.633 1.060 18953 8607 1 9 . 1 1 166 166 GLY H H 166 9.046 9.046 8.535 0.511 18953 8608 1 9 . 1 1 167 167 SER N N 167 113.024 113.024 116.007 -2.983 18953 8609 1 9 . 1 1 167 167 SER HA H 167 4.562 4.562 5.724 -1.162 18953 8610 1 9 . 1 1 167 167 SER C C 167 179.104 179.104 172.789 6.315 18953 8611 1 9 . 1 1 167 167 SER CA C 167 58.729 58.729 56.173 2.556 18953 8612 1 9 . 1 1 167 167 SER CB C 167 64.816 64.816 65.471 -0.655 18953 8613 1 9 . 1 1 167 167 SER H H 167 8.257 8.257 7.991 0.266 18953 8614 1 9 . 1 1 168 168 ILE N N 168 118.927 118.927 122.446 -3.519 18953 8615 1 9 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.112 0.396 18953 8616 1 9 . 1 1 168 168 ILE C C 168 177.783 177.783 173.979 3.804 18953 8617 1 9 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.963 0.198 18953 8618 1 9 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.177 1.033 18953 8619 1 9 . 1 1 168 168 ILE H H 168 8.922 8.922 9.140 -0.218 18953 8620 1 9 . 1 1 169 169 ARG N N 169 124.820 124.820 124.991 -0.171 18953 8621 1 9 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.906 0.139 18953 8622 1 9 . 1 1 169 169 ARG C C 169 177.350 177.350 174.256 3.094 18953 8623 1 9 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.519 -0.334 18953 8624 1 9 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.631 0.360 18953 8625 1 9 . 1 1 169 169 ARG H H 169 9.757 9.757 9.286 0.471 18953 8626 1 9 . 1 1 170 170 ARG N N 170 122.951 122.951 127.382 -4.431 18953 8627 1 9 . 1 1 170 170 ARG HA H 170 3.265 3.265 4.028 -0.763 18953 8628 1 9 . 1 1 170 170 ARG C C 170 174.373 174.373 175.257 -0.884 18953 8629 1 9 . 1 1 170 170 ARG CA C 170 55.170 55.170 54.732 0.438 18953 8630 1 9 . 1 1 170 170 ARG CB C 170 30.150 30.150 28.086 2.064 18953 8631 1 9 . 1 1 170 170 ARG H H 170 8.552 8.552 8.675 -0.123 18953 8632 1 9 . 1 1 171 171 ILE N N 171 123.280 123.280 121.325 1.955 18953 8633 1 9 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.518 0.284 18953 8634 1 9 . 1 1 171 171 ILE C C 171 177.088 177.088 175.283 1.805 18953 8635 1 9 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.253 0.308 18953 8636 1 9 . 1 1 171 171 ILE CB C 171 36.326 36.326 36.710 -0.384 18953 8637 1 9 . 1 1 171 171 ILE H H 171 8.424 8.424 7.858 0.566 18953 8638 1 9 . 1 1 172 172 THR N N 172 117.270 117.270 115.019 2.251 18953 8639 1 9 . 1 1 172 172 THR HA H 172 4.558 4.558 4.380 0.178 18953 8640 1 9 . 1 1 172 172 THR C C 172 177.651 177.651 173.883 3.768 18953 8641 1 9 . 1 1 172 172 THR CA C 172 60.095 60.095 61.339 -1.244 18953 8642 1 9 . 1 1 172 172 THR CB C 172 70.040 70.040 69.422 0.618 18953 8643 1 9 . 1 1 172 172 THR H H 172 7.299 7.299 8.229 -0.930 18953 8644 1 9 . 1 1 173 173 ASP N N 173 121.598 121.598 121.850 -0.252 18953 8645 1 9 . 1 1 173 173 ASP HA H 173 4.445 4.445 3.995 0.450 18953 8646 1 9 . 1 1 173 173 ASP C C 173 177.041 177.041 175.181 1.860 18953 8647 1 9 . 1 1 173 173 ASP CA C 173 55.010 55.010 55.280 -0.270 18953 8648 1 9 . 1 1 173 173 ASP CB C 173 41.524 41.524 40.049 1.475 18953 8649 1 9 . 1 1 173 173 ASP H H 173 8.477 8.477 7.772 0.705 18953 8650 1 10 . 1 1 2 2 GLY C C 2 182.782 182.782 173.587 9.195 18953 8651 1 10 . 1 1 2 2 GLY CA C 2 43.547 43.547 44.963 -1.416 18953 8652 1 10 . 1 1 3 3 LYS N N 3 120.153 120.153 120.790 -0.637 18953 8653 1 10 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.608 0.407 18953 8654 1 10 . 1 1 3 3 LYS C C 3 179.140 179.140 173.852 5.288 18953 8655 1 10 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.440 1.870 18953 8656 1 10 . 1 1 3 3 LYS CB C 3 35.698 35.698 37.074 -1.376 18953 8657 1 10 . 1 1 3 3 LYS H H 3 8.398 8.398 7.785 0.613 18953 8658 1 10 . 1 1 4 4 ILE N N 4 129.769 129.769 124.451 5.318 18953 8659 1 10 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.508 0.098 18953 8660 1 10 . 1 1 4 4 ILE C C 4 180.618 180.618 173.262 7.356 18953 8661 1 10 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.932 -0.532 18953 8662 1 10 . 1 1 4 4 ILE CB C 4 41.019 41.019 40.755 0.265 18953 8663 1 10 . 1 1 4 4 ILE H H 4 8.871 8.871 8.311 0.560 18953 8664 1 10 . 1 1 5 5 ILE N N 5 125.103 125.103 129.282 -4.179 18953 8665 1 10 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.960 -0.452 18953 8666 1 10 . 1 1 5 5 ILE C C 5 177.516 177.516 174.702 2.814 18953 8667 1 10 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.631 1.198 18953 8668 1 10 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.284 0.133 18953 8669 1 10 . 1 1 5 5 ILE H H 5 8.788 8.788 8.718 0.070 18953 8670 1 10 . 1 1 6 6 PHE N N 6 125.558 125.558 125.339 0.219 18953 8671 1 10 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.789 -0.166 18953 8672 1 10 . 1 1 6 6 PHE C C 6 176.512 176.512 175.175 1.337 18953 8673 1 10 . 1 1 6 6 PHE CA C 6 57.219 57.219 56.863 0.356 18953 8674 1 10 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.194 0.289 18953 8675 1 10 . 1 1 6 6 PHE H H 6 8.540 8.540 9.191 -0.651 18953 8676 1 10 . 1 1 7 7 TYR N N 7 120.647 120.647 118.313 2.334 18953 8677 1 10 . 1 1 7 7 TYR HA H 7 5.171 5.171 4.953 0.218 18953 8678 1 10 . 1 1 7 7 TYR C C 7 173.898 173.898 175.914 -2.016 18953 8679 1 10 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.888 -0.442 18953 8680 1 10 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.672 -3.362 18953 8681 1 10 . 1 1 7 7 TYR H H 7 8.889 8.889 9.137 -0.248 18953 8682 1 10 . 1 1 8 8 GLU N N 8 122.007 122.007 123.569 -1.562 18953 8683 1 10 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.104 0.077 18953 8684 1 10 . 1 1 8 8 GLU C C 8 174.881 174.881 176.838 -1.957 18953 8685 1 10 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.455 1.611 18953 8686 1 10 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.615 1.437 18953 8687 1 10 . 1 1 8 8 GLU H H 8 8.756 8.756 8.780 -0.024 18953 8688 1 10 . 1 1 9 9 ASP N N 9 114.203 114.203 120.013 -5.810 18953 8689 1 10 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.749 0.473 18953 8690 1 10 . 1 1 9 9 ASP CA C 9 52.366 52.366 54.254 -1.888 18953 8691 1 10 . 1 1 9 9 ASP CB C 9 43.436 43.436 41.564 1.872 18953 8692 1 10 . 1 1 9 9 ASP H H 9 7.977 7.977 8.422 -0.445 18953 8693 1 10 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.478 -1.359 18953 8694 1 10 . 1 1 11 11 ASN CA C 11 56.660 56.660 52.420 4.240 18953 8695 1 10 . 1 1 11 11 ASN CB C 11 35.050 35.050 36.916 -1.866 18953 8696 1 10 . 1 1 13 13 GLY C C 13 178.281 178.281 173.456 4.825 18953 8697 1 10 . 1 1 13 13 GLY CA C 13 44.446 44.446 45.157 -0.711 18953 8698 1 10 . 1 1 14 14 GLY N N 14 105.348 105.348 108.735 -3.387 18953 8699 1 10 . 1 1 14 14 GLY C C 14 176.463 176.463 174.265 2.198 18953 8700 1 10 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.056 0.055 18953 8701 1 10 . 1 1 14 14 GLY H H 14 8.261 8.261 7.982 0.279 18953 8702 1 10 . 1 1 15 15 ARG N N 15 119.637 119.637 125.302 -5.665 18953 8703 1 10 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.579 -0.368 18953 8704 1 10 . 1 1 15 15 ARG C C 15 176.574 176.574 176.039 0.535 18953 8705 1 10 . 1 1 15 15 ARG CA C 15 57.332 57.332 55.976 1.356 18953 8706 1 10 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.802 0.610 18953 8707 1 10 . 1 1 15 15 ARG H H 15 8.579 8.579 8.463 0.116 18953 8708 1 10 . 1 1 16 16 TYR N N 16 114.846 114.846 121.871 -7.025 18953 8709 1 10 . 1 1 16 16 TYR HA H 16 5.858 5.858 4.947 0.911 18953 8710 1 10 . 1 1 16 16 TYR C C 16 176.510 176.510 174.506 2.004 18953 8711 1 10 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.899 -0.286 18953 8712 1 10 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.781 1.637 18953 8713 1 10 . 1 1 16 16 TYR H H 16 7.617 7.617 8.345 -0.728 18953 8714 1 10 . 1 1 17 17 HIS N N 17 118.443 118.443 120.742 -2.299 18953 8715 1 10 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.763 0.047 18953 8716 1 10 . 1 1 17 17 HIS C C 17 177.970 177.970 173.670 4.300 18953 8717 1 10 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.245 0.317 18953 8718 1 10 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.262 0.342 18953 8719 1 10 . 1 1 17 17 HIS H H 17 8.785 8.785 8.555 0.230 18953 8720 1 10 . 1 1 18 18 GLU N N 18 126.223 126.223 128.034 -1.811 18953 8721 1 10 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.448 0.390 18953 8722 1 10 . 1 1 18 18 GLU C C 18 176.504 176.504 174.871 1.633 18953 8723 1 10 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.895 -0.796 18953 8724 1 10 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.781 1.341 18953 8725 1 10 . 1 1 18 18 GLU H H 18 8.529 8.529 8.525 0.004 18953 8726 1 10 . 1 1 19 19 CYS N N 19 121.383 121.383 123.976 -2.593 18953 8727 1 10 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.624 0.033 18953 8728 1 10 . 1 1 19 19 CYS C C 19 178.018 178.018 173.976 4.042 18953 8729 1 10 . 1 1 19 19 CYS CA C 19 58.777 58.777 58.157 0.620 18953 8730 1 10 . 1 1 19 19 CYS CB C 19 29.812 29.812 30.610 -0.798 18953 8731 1 10 . 1 1 19 19 CYS H H 19 9.163 9.163 9.141 0.022 18953 8732 1 10 . 1 1 20 20 MET N N 20 126.877 126.877 123.178 3.699 18953 8733 1 10 . 1 1 20 20 MET HA H 20 5.295 5.295 4.716 0.579 18953 8734 1 10 . 1 1 20 20 MET C C 20 176.776 176.776 174.969 1.807 18953 8735 1 10 . 1 1 20 20 MET CA C 20 55.260 55.260 55.607 -0.347 18953 8736 1 10 . 1 1 20 20 MET CB C 20 33.370 33.370 33.683 -0.313 18953 8737 1 10 . 1 1 20 20 MET H H 20 8.995 8.995 8.818 0.177 18953 8738 1 10 . 1 1 21 21 SER N N 21 179.042 179.042 113.098 65.944 18953 8739 1 10 . 1 1 21 21 SER HA H 21 4.658 4.658 4.751 -0.093 18953 8740 1 10 . 1 1 21 21 SER C C 21 179.042 179.042 173.198 5.844 18953 8741 1 10 . 1 1 21 21 SER CA C 21 57.586 57.586 56.957 0.629 18953 8742 1 10 . 1 1 21 21 SER CB C 21 65.782 65.782 65.813 -0.031 18953 8743 1 10 . 1 1 21 21 SER H H 21 7.990 7.990 7.570 0.420 18953 8744 1 10 . 1 1 22 22 ASP N N 22 117.203 117.203 121.060 -3.857 18953 8745 1 10 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.416 0.535 18953 8746 1 10 . 1 1 22 22 ASP C C 22 173.564 173.564 175.221 -1.657 18953 8747 1 10 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.885 0.586 18953 8748 1 10 . 1 1 22 22 ASP CB C 22 41.819 41.819 41.200 0.619 18953 8749 1 10 . 1 1 22 22 ASP H H 22 8.317 8.317 8.505 -0.188 18953 8750 1 10 . 1 1 23 23 CYS N N 23 121.308 121.308 121.043 0.265 18953 8751 1 10 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.699 0.092 18953 8752 1 10 . 1 1 23 23 CYS C C 23 177.265 177.265 174.072 3.193 18953 8753 1 10 . 1 1 23 23 CYS CA C 23 59.963 59.963 58.615 1.348 18953 8754 1 10 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.098 -0.686 18953 8755 1 10 . 1 1 23 23 CYS H H 23 9.410 9.410 8.879 0.531 18953 8756 1 10 . 1 1 24 24 ALA N N 24 131.693 131.693 129.157 2.536 18953 8757 1 10 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.942 -0.420 18953 8758 1 10 . 1 1 24 24 ALA C C 24 175.455 175.455 175.706 -0.251 18953 8759 1 10 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.375 2.239 18953 8760 1 10 . 1 1 24 24 ALA CB C 24 19.175 19.175 19.352 -0.177 18953 8761 1 10 . 1 1 24 24 ALA H H 24 9.210 9.210 8.595 0.615 18953 8762 1 10 . 1 1 25 25 ASP N N 25 113.873 113.873 118.860 -4.987 18953 8763 1 10 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.789 0.106 18953 8764 1 10 . 1 1 25 25 ASP C C 25 174.970 174.970 175.343 -0.373 18953 8765 1 10 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.452 0.468 18953 8766 1 10 . 1 1 25 25 ASP CB C 25 40.564 40.564 41.115 -0.551 18953 8767 1 10 . 1 1 25 25 ASP H H 25 7.524 7.524 7.636 -0.112 18953 8768 1 10 . 1 1 26 26 LEU N N 26 127.166 127.166 125.476 1.690 18953 8769 1 10 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.297 -0.298 18953 8770 1 10 . 1 1 26 26 LEU C C 26 173.727 173.727 176.888 -3.161 18953 8771 1 10 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.476 1.675 18953 8772 1 10 . 1 1 26 26 LEU CB C 26 42.359 42.359 43.220 -0.861 18953 8773 1 10 . 1 1 26 26 LEU H H 26 8.495 8.495 8.616 -0.121 18953 8774 1 10 . 1 1 27 27 HIS N N 27 118.732 118.732 120.761 -2.029 18953 8775 1 10 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.326 0.211 18953 8776 1 10 . 1 1 27 27 HIS C C 27 175.667 175.667 176.136 -0.469 18953 8777 1 10 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.576 -1.783 18953 8778 1 10 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.863 -1.825 18953 8779 1 10 . 1 1 27 27 HIS H H 27 8.446 8.446 8.157 0.289 18953 8780 1 10 . 1 1 28 28 SER N N 28 112.598 112.598 113.953 -1.355 18953 8781 1 10 . 1 1 28 28 SER HA H 28 3.792 3.792 4.161 -0.369 18953 8782 1 10 . 1 1 28 28 SER C C 28 177.551 177.551 175.807 1.744 18953 8783 1 10 . 1 1 28 28 SER CA C 28 60.406 60.406 60.619 -0.213 18953 8784 1 10 . 1 1 28 28 SER CB C 28 62.814 62.814 62.774 0.040 18953 8785 1 10 . 1 1 28 28 SER H H 28 7.237 7.237 8.065 -0.828 18953 8786 1 10 . 1 1 29 29 TYR N N 29 118.301 118.301 120.014 -1.713 18953 8787 1 10 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.024 0.278 18953 8788 1 10 . 1 1 29 29 TYR C C 29 176.283 176.283 175.439 0.844 18953 8789 1 10 . 1 1 29 29 TYR CA C 29 58.668 58.668 61.126 -2.458 18953 8790 1 10 . 1 1 29 29 TYR CB C 29 39.471 39.471 38.445 1.026 18953 8791 1 10 . 1 1 29 29 TYR H H 29 7.224 7.224 7.787 -0.563 18953 8792 1 10 . 1 1 30 30 PHE N N 30 112.713 112.713 111.598 1.115 18953 8793 1 10 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.705 -0.023 18953 8794 1 10 . 1 1 30 30 PHE C C 30 177.785 177.785 173.989 3.796 18953 8795 1 10 . 1 1 30 30 PHE CA C 30 55.924 55.924 56.301 -0.377 18953 8796 1 10 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.136 -0.393 18953 8797 1 10 . 1 1 30 30 PHE H H 30 7.173 7.173 7.331 -0.158 18953 8798 1 10 . 1 1 31 31 ASN N N 31 115.959 115.959 118.164 -2.205 18953 8799 1 10 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.292 0.418 18953 8800 1 10 . 1 1 31 31 ASN C C 31 176.537 176.537 174.343 2.194 18953 8801 1 10 . 1 1 31 31 ASN CA C 31 53.551 53.551 52.892 0.659 18953 8802 1 10 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.574 0.482 18953 8803 1 10 . 1 1 31 31 ASN H H 31 8.918 8.918 8.576 0.342 18953 8804 1 10 . 1 1 32 32 ARG N N 32 117.693 117.693 117.698 -0.005 18953 8805 1 10 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.683 -0.056 18953 8806 1 10 . 1 1 32 32 ARG C C 32 178.177 178.177 173.817 4.360 18953 8807 1 10 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.524 -0.368 18953 8808 1 10 . 1 1 32 32 ARG CB C 32 33.091 33.091 33.946 -0.855 18953 8809 1 10 . 1 1 32 32 ARG H H 32 7.893 7.893 7.781 0.112 18953 8810 1 10 . 1 1 33 33 CYS N N 33 119.494 119.494 121.494 -2.000 18953 8811 1 10 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.474 0.478 18953 8812 1 10 . 1 1 33 33 CYS C C 33 176.223 176.223 174.045 2.178 18953 8813 1 10 . 1 1 33 33 CYS CA C 33 58.307 58.307 57.473 0.834 18953 8814 1 10 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.589 -0.838 18953 8815 1 10 . 1 1 33 33 CYS H H 33 8.161 8.161 8.709 -0.548 18953 8816 1 10 . 1 1 34 34 HIS N N 34 126.786 126.786 125.300 1.486 18953 8817 1 10 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.587 0.435 18953 8818 1 10 . 1 1 34 34 HIS C C 34 176.224 176.224 174.303 1.921 18953 8819 1 10 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.330 0.369 18953 8820 1 10 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.895 1.414 18953 8821 1 10 . 1 1 34 34 HIS H H 34 8.325 8.325 8.419 -0.094 18953 8822 1 10 . 1 1 35 35 SER N N 35 113.132 113.132 114.528 -1.396 18953 8823 1 10 . 1 1 35 35 SER HA H 35 5.264 5.264 5.271 -0.007 18953 8824 1 10 . 1 1 35 35 SER C C 35 179.093 179.093 172.811 6.282 18953 8825 1 10 . 1 1 35 35 SER CA C 35 59.951 59.951 57.282 2.669 18953 8826 1 10 . 1 1 35 35 SER CB C 35 65.754 65.754 65.439 0.314 18953 8827 1 10 . 1 1 35 35 SER H H 35 8.489 8.489 8.083 0.406 18953 8828 1 10 . 1 1 36 36 ILE N N 36 119.607 119.607 122.047 -2.440 18953 8829 1 10 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.437 0.932 18953 8830 1 10 . 1 1 36 36 ILE C C 36 176.313 176.313 173.980 2.333 18953 8831 1 10 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.622 -0.128 18953 8832 1 10 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.480 3.290 18953 8833 1 10 . 1 1 36 36 ILE H H 36 8.579 8.579 8.842 -0.263 18953 8834 1 10 . 1 1 37 37 ARG N N 37 126.328 126.328 125.491 0.837 18953 8835 1 10 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.846 0.113 18953 8836 1 10 . 1 1 37 37 ARG C C 37 176.785 176.785 174.134 2.651 18953 8837 1 10 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.201 0.913 18953 8838 1 10 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.884 0.450 18953 8839 1 10 . 1 1 37 37 ARG H H 37 9.342 9.342 8.838 0.504 18953 8840 1 10 . 1 1 38 38 VAL N N 38 125.466 125.466 127.862 -2.396 18953 8841 1 10 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.535 -0.211 18953 8842 1 10 . 1 1 38 38 VAL C C 38 175.196 175.196 176.306 -1.110 18953 8843 1 10 . 1 1 38 38 VAL CA C 38 62.436 62.436 60.890 1.546 18953 8844 1 10 . 1 1 38 38 VAL CB C 38 31.674 31.674 31.549 0.125 18953 8845 1 10 . 1 1 38 38 VAL H H 38 9.122 9.122 9.072 0.050 18953 8846 1 10 . 1 1 39 39 GLU N N 39 128.582 128.582 128.431 0.151 18953 8847 1 10 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.215 -0.131 18953 8848 1 10 . 1 1 39 39 GLU C C 39 175.200 175.200 176.280 -1.080 18953 8849 1 10 . 1 1 39 39 GLU CA C 39 58.498 58.498 58.005 0.492 18953 8850 1 10 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.476 1.354 18953 8851 1 10 . 1 1 39 39 GLU H H 39 8.258 8.258 8.677 -0.419 18953 8852 1 10 . 1 1 40 40 SER N N 40 108.412 108.412 110.802 -2.390 18953 8853 1 10 . 1 1 40 40 SER HA H 40 4.343 4.343 4.439 -0.096 18953 8854 1 10 . 1 1 40 40 SER C C 40 178.000 178.000 172.891 5.109 18953 8855 1 10 . 1 1 40 40 SER CA C 40 57.623 57.623 58.327 -0.704 18953 8856 1 10 . 1 1 40 40 SER CB C 40 64.539 64.539 64.479 0.060 18953 8857 1 10 . 1 1 40 40 SER H H 40 7.753 7.753 7.367 0.386 18953 8858 1 10 . 1 1 41 41 GLY N N 41 109.451 109.451 110.461 -1.010 18953 8859 1 10 . 1 1 41 41 GLY C C 41 179.855 179.855 172.950 6.905 18953 8860 1 10 . 1 1 41 41 GLY CA C 41 44.884 44.884 44.646 0.238 18953 8861 1 10 . 1 1 41 41 GLY H H 41 8.714 8.714 8.500 0.214 18953 8862 1 10 . 1 1 42 42 CYS N N 42 112.295 112.295 119.832 -7.537 18953 8863 1 10 . 1 1 42 42 CYS HA H 42 4.934 4.934 4.536 0.398 18953 8864 1 10 . 1 1 42 42 CYS C C 42 178.663 178.663 173.241 5.422 18953 8865 1 10 . 1 1 42 42 CYS CA C 42 56.877 56.877 59.969 -3.092 18953 8866 1 10 . 1 1 42 42 CYS CB C 42 31.679 31.679 29.875 1.804 18953 8867 1 10 . 1 1 42 42 CYS H H 42 7.794 7.794 8.697 -0.903 18953 8868 1 10 . 1 1 43 43 PHE N N 43 118.841 118.841 122.488 -3.647 18953 8869 1 10 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.732 0.392 18953 8870 1 10 . 1 1 43 43 PHE C C 43 178.045 178.045 172.941 5.104 18953 8871 1 10 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.001 -0.511 18953 8872 1 10 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.565 1.392 18953 8873 1 10 . 1 1 43 43 PHE H H 43 8.509 8.509 8.489 0.020 18953 8874 1 10 . 1 1 44 44 MET N N 44 119.494 119.494 124.060 -4.566 18953 8875 1 10 . 1 1 44 44 MET HA H 44 5.442 5.442 4.915 0.527 18953 8876 1 10 . 1 1 44 44 MET C C 44 174.336 174.336 174.254 0.082 18953 8877 1 10 . 1 1 44 44 MET CA C 44 52.992 52.992 54.160 -1.168 18953 8878 1 10 . 1 1 44 44 MET CB C 44 33.835 33.835 34.803 -0.968 18953 8879 1 10 . 1 1 44 44 MET H H 44 9.110 9.110 8.095 1.015 18953 8880 1 10 . 1 1 45 45 VAL N N 45 117.666 117.666 118.553 -0.887 18953 8881 1 10 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.877 0.510 18953 8882 1 10 . 1 1 45 45 VAL C C 45 177.844 177.844 173.795 4.049 18953 8883 1 10 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.377 0.257 18953 8884 1 10 . 1 1 45 45 VAL CB C 45 34.280 34.280 34.245 0.035 18953 8885 1 10 . 1 1 45 45 VAL H H 45 9.345 9.345 8.706 0.639 18953 8886 1 10 . 1 1 46 46 TYR N N 46 117.876 117.876 122.847 -4.971 18953 8887 1 10 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.216 0.789 18953 8888 1 10 . 1 1 46 46 TYR C C 46 173.152 173.152 175.505 -2.353 18953 8889 1 10 . 1 1 46 46 TYR CA C 46 56.683 56.683 56.998 -0.315 18953 8890 1 10 . 1 1 46 46 TYR CB C 46 41.025 41.025 41.910 -0.885 18953 8891 1 10 . 1 1 46 46 TYR H H 46 8.145 8.145 9.267 -1.122 18953 8892 1 10 . 1 1 47 47 ASP N N 47 119.783 119.783 123.112 -3.329 18953 8893 1 10 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.725 0.160 18953 8894 1 10 . 1 1 47 47 ASP C C 47 176.040 176.040 176.355 -0.315 18953 8895 1 10 . 1 1 47 47 ASP CA C 47 53.826 53.826 54.774 -0.948 18953 8896 1 10 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.778 -0.710 18953 8897 1 10 . 1 1 47 47 ASP H H 47 8.690 8.690 8.730 -0.040 18953 8898 1 10 . 1 1 48 48 ARG N N 48 116.008 116.008 118.055 -2.047 18953 8899 1 10 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.695 0.043 18953 8900 1 10 . 1 1 48 48 ARG C C 48 175.495 175.495 174.875 0.620 18953 8901 1 10 . 1 1 48 48 ARG CA C 48 54.345 54.345 53.832 0.513 18953 8902 1 10 . 1 1 48 48 ARG CB C 48 34.662 34.662 34.272 0.390 18953 8903 1 10 . 1 1 48 48 ARG H H 48 7.627 7.627 8.136 -0.509 18953 8904 1 10 . 1 1 49 49 THR N N 49 110.526 110.526 114.124 -3.598 18953 8905 1 10 . 1 1 49 49 THR HA H 49 3.790 3.790 4.148 -0.358 18953 8906 1 10 . 1 1 49 49 THR C C 49 176.951 176.951 174.811 2.140 18953 8907 1 10 . 1 1 49 49 THR CA C 49 62.112 62.112 63.130 -1.018 18953 8908 1 10 . 1 1 49 49 THR CB C 49 70.189 70.189 69.481 0.708 18953 8909 1 10 . 1 1 49 49 THR H H 49 8.173 8.173 8.222 -0.049 18953 8910 1 10 . 1 1 50 50 ASN N N 50 112.515 112.515 119.333 -6.818 18953 8911 1 10 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.546 -0.297 18953 8912 1 10 . 1 1 50 50 ASN C C 50 178.172 178.172 172.797 5.375 18953 8913 1 10 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.702 0.675 18953 8914 1 10 . 1 1 50 50 ASN CB C 50 36.907 36.907 37.587 -0.680 18953 8915 1 10 . 1 1 50 50 ASN H H 50 9.654 9.654 8.017 1.637 18953 8916 1 10 . 1 1 51 51 PHE N N 51 110.557 110.557 110.170 0.387 18953 8917 1 10 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.584 0.066 18953 8918 1 10 . 1 1 51 51 PHE C C 51 176.292 176.292 174.321 1.971 18953 8919 1 10 . 1 1 51 51 PHE CA C 51 55.668 55.668 57.625 -1.957 18953 8920 1 10 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.262 0.670 18953 8921 1 10 . 1 1 51 51 PHE H H 51 7.568 7.568 6.718 0.850 18953 8922 1 10 . 1 1 52 52 MET N N 52 117.547 117.547 116.854 0.693 18953 8923 1 10 . 1 1 52 52 MET HA H 52 4.859 4.859 4.891 -0.032 18953 8924 1 10 . 1 1 52 52 MET C C 52 177.399 177.399 175.008 2.391 18953 8925 1 10 . 1 1 52 52 MET CA C 52 53.946 53.946 55.182 -1.236 18953 8926 1 10 . 1 1 52 52 MET CB C 52 35.335 35.335 37.668 -2.333 18953 8927 1 10 . 1 1 52 52 MET H H 52 6.355 6.355 7.685 -1.330 18953 8928 1 10 . 1 1 53 53 GLY N N 53 103.445 103.445 106.958 -3.513 18953 8929 1 10 . 1 1 53 53 GLY C C 53 175.327 175.327 173.381 1.946 18953 8930 1 10 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.714 -0.131 18953 8931 1 10 . 1 1 53 53 GLY H H 53 8.256 8.256 8.485 -0.229 18953 8932 1 10 . 1 1 54 54 ARG N N 54 124.195 124.195 122.285 1.910 18953 8933 1 10 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.073 0.089 18953 8934 1 10 . 1 1 54 54 ARG C C 54 177.235 177.235 176.175 1.060 18953 8935 1 10 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.337 -0.136 18953 8936 1 10 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.224 0.991 18953 8937 1 10 . 1 1 54 54 ARG H H 54 9.034 9.034 8.641 0.393 18953 8938 1 10 . 1 1 55 55 GLN N N 55 118.867 118.867 122.968 -4.101 18953 8939 1 10 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.893 0.126 18953 8940 1 10 . 1 1 55 55 GLN C C 55 176.166 176.166 175.065 1.101 18953 8941 1 10 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.717 -1.603 18953 8942 1 10 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.754 0.717 18953 8943 1 10 . 1 1 55 55 GLN H H 55 7.657 7.657 8.299 -0.642 18953 8944 1 10 . 1 1 56 56 TYR N N 56 117.323 117.323 122.566 -5.243 18953 8945 1 10 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.766 -0.316 18953 8946 1 10 . 1 1 56 56 TYR C C 56 177.276 177.276 174.212 3.064 18953 8947 1 10 . 1 1 56 56 TYR CA C 56 57.213 57.213 56.907 0.306 18953 8948 1 10 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.243 -0.683 18953 8949 1 10 . 1 1 56 56 TYR H H 56 8.704 8.704 8.832 -0.129 18953 8950 1 10 . 1 1 57 57 PHE N N 57 125.557 125.557 126.079 -0.522 18953 8951 1 10 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.645 0.572 18953 8952 1 10 . 1 1 57 57 PHE C C 57 176.412 176.412 174.063 2.349 18953 8953 1 10 . 1 1 57 57 PHE CA C 57 58.371 58.371 58.297 0.074 18953 8954 1 10 . 1 1 57 57 PHE CB C 57 40.989 40.989 39.963 1.026 18953 8955 1 10 . 1 1 57 57 PHE H H 57 8.600 8.600 8.926 -0.326 18953 8956 1 10 . 1 1 58 58 LEU N N 58 129.141 129.141 130.206 -1.065 18953 8957 1 10 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.616 -0.261 18953 8958 1 10 . 1 1 58 58 LEU C C 58 177.356 177.356 174.303 3.053 18953 8959 1 10 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.605 0.245 18953 8960 1 10 . 1 1 58 58 LEU CB C 58 44.886 44.886 45.359 -0.473 18953 8961 1 10 . 1 1 58 58 LEU H H 58 8.969 8.969 8.747 0.222 18953 8962 1 10 . 1 1 59 59 ARG N N 59 118.569 118.569 123.744 -5.175 18953 8963 1 10 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.851 -0.288 18953 8964 1 10 . 1 1 59 59 ARG C C 59 175.341 175.341 175.929 -0.588 18953 8965 1 10 . 1 1 59 59 ARG CA C 59 53.734 53.734 53.467 0.267 18953 8966 1 10 . 1 1 59 59 ARG CB C 59 32.396 32.396 32.320 0.076 18953 8967 1 10 . 1 1 59 59 ARG H H 59 7.107 7.107 8.467 -1.360 18953 8968 1 10 . 1 1 60 60 ARG N N 60 121.635 121.635 122.106 -0.471 18953 8969 1 10 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.825 0.140 18953 8970 1 10 . 1 1 60 60 ARG C C 60 175.525 175.525 175.830 -0.305 18953 8971 1 10 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.681 0.273 18953 8972 1 10 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.630 1.260 18953 8973 1 10 . 1 1 60 60 ARG H H 60 8.258 8.258 8.134 0.124 18953 8974 1 10 . 1 1 61 61 GLY N N 61 112.955 112.955 114.202 -1.247 18953 8975 1 10 . 1 1 61 61 GLY C C 61 180.518 180.518 171.680 8.838 18953 8976 1 10 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.853 -0.175 18953 8977 1 10 . 1 1 61 61 GLY H H 61 8.706 8.706 8.110 0.596 18953 8978 1 10 . 1 1 62 62 GLU N N 62 117.563 117.563 120.867 -3.304 18953 8979 1 10 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.598 -0.049 18953 8980 1 10 . 1 1 62 62 GLU C C 62 176.249 176.249 175.244 1.005 18953 8981 1 10 . 1 1 62 62 GLU CA C 62 55.813 55.813 55.369 0.444 18953 8982 1 10 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.786 1.058 18953 8983 1 10 . 1 1 62 62 GLU H H 62 8.161 8.161 8.387 -0.226 18953 8984 1 10 . 1 1 63 63 TYR N N 63 119.057 119.057 125.306 -6.249 18953 8985 1 10 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.974 0.202 18953 8986 1 10 . 1 1 63 63 TYR CA C 63 55.273 55.273 55.848 -0.575 18953 8987 1 10 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.579 -1.531 18953 8988 1 10 . 1 1 63 63 TYR H H 63 8.827 8.827 8.867 -0.040 18953 8989 1 10 . 1 1 64 64 PRO HA H 64 3.684 3.684 3.916 -0.232 18953 8990 1 10 . 1 1 64 64 PRO CA C 64 64.970 64.970 63.291 1.679 18953 8991 1 10 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.357 -0.222 18953 8992 1 10 . 1 1 65 65 ASP N N 65 118.810 118.810 116.314 2.496 18953 8993 1 10 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.308 -0.261 18953 8994 1 10 . 1 1 65 65 ASP C C 65 174.175 174.175 174.792 -0.617 18953 8995 1 10 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.911 -0.337 18953 8996 1 10 . 1 1 65 65 ASP CB C 65 39.805 39.805 44.111 -4.306 18953 8997 1 10 . 1 1 65 65 ASP H H 65 8.600 8.600 7.762 0.838 18953 8998 1 10 . 1 1 66 66 TYR N N 66 119.662 119.662 118.732 0.930 18953 8999 1 10 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.885 -0.484 18953 9000 1 10 . 1 1 66 66 TYR C C 66 175.431 175.431 174.213 1.218 18953 9001 1 10 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.350 3.623 18953 9002 1 10 . 1 1 66 66 TYR CB C 66 38.024 38.024 39.392 -1.368 18953 9003 1 10 . 1 1 66 66 TYR H H 66 6.530 6.530 8.078 -1.548 18953 9004 1 10 . 1 1 67 67 MET N N 67 121.502 121.502 119.732 1.770 18953 9005 1 10 . 1 1 67 67 MET HA H 67 3.626 3.626 4.363 -0.737 18953 9006 1 10 . 1 1 67 67 MET C C 67 172.742 172.742 177.632 -4.890 18953 9007 1 10 . 1 1 67 67 MET CA C 67 59.998 59.998 56.401 3.597 18953 9008 1 10 . 1 1 67 67 MET CB C 67 32.064 32.064 33.142 -1.078 18953 9009 1 10 . 1 1 67 67 MET H H 67 8.299 8.299 8.108 0.191 18953 9010 1 10 . 1 1 68 68 ARG N N 68 116.824 116.824 118.594 -1.770 18953 9011 1 10 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.414 -0.259 18953 9012 1 10 . 1 1 68 68 ARG C C 68 171.982 171.982 176.796 -4.814 18953 9013 1 10 . 1 1 68 68 ARG CA C 68 58.600 58.600 57.553 1.047 18953 9014 1 10 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.391 0.665 18953 9015 1 10 . 1 1 68 68 ARG H H 68 6.919 6.919 8.335 -1.416 18953 9016 1 10 . 1 1 69 69 THR N N 69 111.292 111.292 114.398 -3.106 18953 9017 1 10 . 1 1 69 69 THR HA H 69 4.101 4.101 4.262 -0.161 18953 9018 1 10 . 1 1 69 69 THR C C 69 174.584 174.584 174.745 -0.161 18953 9019 1 10 . 1 1 69 69 THR CA C 69 65.512 65.512 64.799 0.714 18953 9020 1 10 . 1 1 69 69 THR CB C 69 68.821 68.821 68.825 -0.004 18953 9021 1 10 . 1 1 69 69 THR H H 69 8.020 8.020 8.027 -0.007 18953 9022 1 10 . 1 1 70 70 MET N N 70 117.481 117.481 119.579 -2.098 18953 9023 1 10 . 1 1 70 70 MET HA H 70 4.496 4.496 4.592 -0.096 18953 9024 1 10 . 1 1 70 70 MET C C 70 175.015 175.015 175.927 -0.912 18953 9025 1 10 . 1 1 70 70 MET CA C 70 56.029 56.029 55.728 0.301 18953 9026 1 10 . 1 1 70 70 MET CB C 70 33.013 33.013 34.267 -1.254 18953 9027 1 10 . 1 1 70 70 MET H H 70 8.315 8.315 7.593 0.722 18953 9028 1 10 . 1 1 71 71 GLY N N 71 108.537 108.537 108.284 0.253 18953 9029 1 10 . 1 1 71 71 GLY C C 71 176.534 176.534 174.192 2.342 18953 9030 1 10 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.177 2.032 18953 9031 1 10 . 1 1 71 71 GLY H H 71 7.352 7.352 7.761 -0.409 18953 9032 1 10 . 1 1 72 72 MET N N 72 118.363 118.363 118.615 -0.252 18953 9033 1 10 . 1 1 72 72 MET HA H 72 4.375 4.375 4.720 -0.345 18953 9034 1 10 . 1 1 72 72 MET C C 72 176.034 176.034 175.330 0.704 18953 9035 1 10 . 1 1 72 72 MET CA C 72 55.884 55.884 54.444 1.440 18953 9036 1 10 . 1 1 72 72 MET CB C 72 35.756 35.756 35.709 0.047 18953 9037 1 10 . 1 1 72 72 MET H H 72 7.888 7.888 7.569 0.319 18953 9038 1 10 . 1 1 73 73 ASN N N 73 119.052 119.052 123.753 -4.701 18953 9039 1 10 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.894 -0.173 18953 9040 1 10 . 1 1 73 73 ASN C C 73 177.307 177.307 174.448 2.859 18953 9041 1 10 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.793 1.073 18953 9042 1 10 . 1 1 73 73 ASN CB C 73 39.872 39.872 38.120 1.752 18953 9043 1 10 . 1 1 73 73 ASN H H 73 8.956 8.956 8.872 0.084 18953 9044 1 10 . 1 1 74 74 ASP N N 74 118.536 118.536 116.390 2.146 18953 9045 1 10 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.691 0.185 18953 9046 1 10 . 1 1 74 74 ASP C C 74 177.595 177.595 174.362 3.233 18953 9047 1 10 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.514 -0.968 18953 9048 1 10 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.016 3.027 18953 9049 1 10 . 1 1 74 74 ASP H H 74 7.831 7.831 7.707 0.124 18953 9050 1 10 . 1 1 75 75 CYS N N 75 116.378 116.378 116.575 -0.197 18953 9051 1 10 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.228 -0.567 18953 9052 1 10 . 1 1 75 75 CYS C C 75 177.301 177.301 175.758 1.543 18953 9053 1 10 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.771 1.301 18953 9054 1 10 . 1 1 75 75 CYS CB C 75 29.613 29.613 31.015 -1.402 18953 9055 1 10 . 1 1 75 75 CYS H H 75 8.527 8.527 8.339 0.188 18953 9056 1 10 . 1 1 76 76 VAL N N 76 116.516 116.516 118.961 -2.445 18953 9057 1 10 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.147 -0.237 18953 9058 1 10 . 1 1 76 76 VAL C C 76 175.906 175.906 175.969 -0.063 18953 9059 1 10 . 1 1 76 76 VAL CA C 76 63.823 63.823 63.705 0.118 18953 9060 1 10 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.378 0.327 18953 9061 1 10 . 1 1 76 76 VAL H H 76 7.296 7.296 8.529 -1.233 18953 9062 1 10 . 1 1 77 77 ARG N N 77 120.435 120.435 122.466 -2.031 18953 9063 1 10 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.479 -0.099 18953 9064 1 10 . 1 1 77 77 ARG C C 77 175.519 175.519 175.990 -0.471 18953 9065 1 10 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.351 -0.943 18953 9066 1 10 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.243 1.969 18953 9067 1 10 . 1 1 77 77 ARG H H 77 8.923 8.923 8.771 0.152 18953 9068 1 10 . 1 1 78 78 SER N N 78 110.315 110.315 113.647 -3.332 18953 9069 1 10 . 1 1 78 78 SER HA H 78 4.533 4.533 5.117 -0.584 18953 9070 1 10 . 1 1 78 78 SER C C 78 177.603 177.603 172.710 4.893 18953 9071 1 10 . 1 1 78 78 SER CA C 78 59.512 59.512 57.087 2.425 18953 9072 1 10 . 1 1 78 78 SER CB C 78 65.883 65.883 65.838 0.045 18953 9073 1 10 . 1 1 78 78 SER H H 78 8.100 8.100 8.041 0.059 18953 9074 1 10 . 1 1 79 79 CYS N N 79 112.901 112.901 120.443 -7.542 18953 9075 1 10 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.357 0.960 18953 9076 1 10 . 1 1 79 79 CYS C C 79 179.601 179.601 172.596 7.005 18953 9077 1 10 . 1 1 79 79 CYS CA C 79 56.479 56.479 58.546 -2.067 18953 9078 1 10 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.675 -0.325 18953 9079 1 10 . 1 1 79 79 CYS H H 79 9.438 9.438 9.298 0.140 18953 9080 1 10 . 1 1 80 80 ARG N N 80 122.877 122.877 122.143 0.734 18953 9081 1 10 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.761 0.266 18953 9082 1 10 . 1 1 80 80 ARG C C 80 176.888 176.888 173.598 3.290 18953 9083 1 10 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.556 0.130 18953 9084 1 10 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.126 0.560 18953 9085 1 10 . 1 1 80 80 ARG H H 80 10.005 10.005 8.710 1.295 18953 9086 1 10 . 1 1 81 81 MET N N 81 125.699 125.699 123.192 2.507 18953 9087 1 10 . 1 1 81 81 MET HA H 81 3.494 3.494 4.468 -0.974 18953 9088 1 10 . 1 1 81 81 MET C C 81 176.369 176.369 174.909 1.460 18953 9089 1 10 . 1 1 81 81 MET CA C 81 55.587 55.587 55.144 0.443 18953 9090 1 10 . 1 1 81 81 MET CB C 81 34.241 34.241 35.729 -1.488 18953 9091 1 10 . 1 1 81 81 MET H H 81 9.198 9.198 8.638 0.560 18953 9092 1 10 . 1 1 82 82 ILE N N 82 131.119 131.119 123.466 7.653 18953 9093 1 10 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.525 -0.491 18953 9094 1 10 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.539 0.311 18953 9095 1 10 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.500 0.693 18953 9096 1 10 . 1 1 82 82 ILE H H 82 7.744 7.744 8.209 -0.465 18953 9097 1 10 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.320 -0.119 18953 9098 1 10 . 1 1 83 83 PRO C C 83 176.434 176.434 177.193 -0.759 18953 9099 1 10 . 1 1 83 83 PRO CA C 83 62.426 62.426 62.528 -0.102 18953 9100 1 10 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.109 0.284 18953 9101 1 10 . 1 1 84 84 LEU N N 84 120.509 120.509 121.293 -0.784 18953 9102 1 10 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.614 -0.374 18953 9103 1 10 . 1 1 84 84 LEU C C 84 174.899 174.899 176.650 -1.751 18953 9104 1 10 . 1 1 84 84 LEU CA C 84 54.527 54.527 53.701 0.826 18953 9105 1 10 . 1 1 84 84 LEU CB C 84 41.560 41.560 39.924 1.636 18953 9106 1 10 . 1 1 84 84 LEU H H 84 7.873 7.873 8.311 -0.438 18953 9107 1 10 . 1 1 85 85 HIS N N 85 125.245 125.245 119.682 5.563 18953 9108 1 10 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.467 0.117 18953 9109 1 10 . 1 1 85 85 HIS CA C 85 56.167 56.167 56.434 -0.267 18953 9110 1 10 . 1 1 85 85 HIS CB C 85 32.644 32.644 30.350 2.294 18953 9111 1 10 . 1 1 85 85 HIS H H 85 8.600 8.600 7.623 0.977 18953 9112 1 10 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.442 0.319 18953 9113 1 10 . 1 1 86 86 HIS C C 86 177.250 177.250 176.439 0.811 18953 9114 1 10 . 1 1 86 86 HIS CA C 86 54.709 54.709 56.063 -1.354 18953 9115 1 10 . 1 1 86 86 HIS CB C 86 29.670 29.670 30.211 -0.541 18953 9116 1 10 . 1 1 86 86 HIS H H 86 8.500 8.500 8.350 0.150 18953 9117 1 10 . 1 1 87 87 GLY N N 87 107.909 107.909 110.411 -2.502 18953 9118 1 10 . 1 1 87 87 GLY C C 87 178.627 178.627 173.977 4.650 18953 9119 1 10 . 1 1 87 87 GLY CA C 87 44.861 44.861 45.256 -0.395 18953 9120 1 10 . 1 1 87 87 GLY H H 87 6.662 6.662 8.799 -2.137 18953 9121 1 10 . 1 1 88 88 SER N N 88 116.742 116.742 116.513 0.229 18953 9122 1 10 . 1 1 88 88 SER HA H 88 4.528 4.528 4.221 0.307 18953 9123 1 10 . 1 1 88 88 SER C C 88 178.527 178.527 173.287 5.240 18953 9124 1 10 . 1 1 88 88 SER CA C 88 58.279 58.279 59.854 -1.575 18953 9125 1 10 . 1 1 88 88 SER CB C 88 64.360 64.360 62.940 1.420 18953 9126 1 10 . 1 1 88 88 SER H H 88 8.235 8.235 8.256 -0.021 18953 9127 1 10 . 1 1 89 89 PHE N N 89 119.985 119.985 122.894 -2.909 18953 9128 1 10 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.347 -0.779 18953 9129 1 10 . 1 1 89 89 PHE C C 89 176.551 176.551 174.955 1.596 18953 9130 1 10 . 1 1 89 89 PHE CA C 89 56.735 56.735 56.995 -0.259 18953 9131 1 10 . 1 1 89 89 PHE CB C 89 41.321 41.321 43.083 -1.762 18953 9132 1 10 . 1 1 89 89 PHE H H 89 8.478 8.478 8.395 0.083 18953 9133 1 10 . 1 1 90 90 LYS N N 90 122.179 122.179 124.242 -2.063 18953 9134 1 10 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.932 0.224 18953 9135 1 10 . 1 1 90 90 LYS C C 90 177.501 177.501 173.957 3.544 18953 9136 1 10 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.855 0.957 18953 9137 1 10 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.199 -0.498 18953 9138 1 10 . 1 1 90 90 LYS H H 90 9.130 9.130 8.746 0.384 18953 9139 1 10 . 1 1 91 91 MET N N 91 127.037 127.037 126.311 0.726 18953 9140 1 10 . 1 1 91 91 MET HA H 91 4.835 4.835 5.084 -0.249 18953 9141 1 10 . 1 1 91 91 MET C C 91 179.276 179.276 173.871 5.405 18953 9142 1 10 . 1 1 91 91 MET CA C 91 54.527 54.527 53.727 0.799 18953 9143 1 10 . 1 1 91 91 MET CB C 91 36.920 36.920 36.872 0.048 18953 9144 1 10 . 1 1 91 91 MET H H 91 9.202 9.202 9.071 0.131 18953 9145 1 10 . 1 1 92 92 ARG N N 92 121.520 121.520 125.101 -3.581 18953 9146 1 10 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.551 0.317 18953 9147 1 10 . 1 1 92 92 ARG C C 92 177.432 177.432 174.680 2.752 18953 9148 1 10 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.101 -0.103 18953 9149 1 10 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.990 2.495 18953 9150 1 10 . 1 1 92 92 ARG H H 92 8.776 8.776 9.035 -0.259 18953 9151 1 10 . 1 1 93 93 LEU N N 93 124.749 124.749 124.184 0.565 18953 9152 1 10 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.479 -0.204 18953 9153 1 10 . 1 1 93 93 LEU C C 93 176.662 176.662 175.392 1.270 18953 9154 1 10 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.620 0.076 18953 9155 1 10 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.750 0.140 18953 9156 1 10 . 1 1 93 93 LEU H H 93 8.841 8.841 8.765 0.076 18953 9157 1 10 . 1 1 94 94 TYR N N 94 116.673 116.673 120.750 -4.077 18953 9158 1 10 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.882 0.542 18953 9159 1 10 . 1 1 94 94 TYR C C 94 175.232 175.232 175.534 -0.302 18953 9160 1 10 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.185 -0.124 18953 9161 1 10 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.384 -1.021 18953 9162 1 10 . 1 1 94 94 TYR H H 94 8.161 8.161 9.020 -0.859 18953 9163 1 10 . 1 1 95 95 GLU N N 95 121.556 121.556 124.459 -2.903 18953 9164 1 10 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.164 -0.130 18953 9165 1 10 . 1 1 95 95 GLU C C 95 174.587 174.587 176.147 -1.560 18953 9166 1 10 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.490 0.470 18953 9167 1 10 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.025 3.499 18953 9168 1 10 . 1 1 95 95 GLU H H 95 8.537 8.537 8.412 0.125 18953 9169 1 10 . 1 1 96 96 HIS N N 96 113.214 113.214 116.953 -3.739 18953 9170 1 10 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.772 0.534 18953 9171 1 10 . 1 1 96 96 HIS C C 96 175.830 175.830 175.140 0.690 18953 9172 1 10 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.359 -0.213 18953 9173 1 10 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.961 0.403 18953 9174 1 10 . 1 1 96 96 HIS H H 96 8.154 8.154 7.641 0.513 18953 9175 1 10 . 1 1 97 97 SER N N 97 115.997 115.997 115.496 0.501 18953 9176 1 10 . 1 1 97 97 SER HA H 97 4.196 4.196 4.545 -0.349 18953 9177 1 10 . 1 1 97 97 SER C C 97 177.588 177.588 174.858 2.730 18953 9178 1 10 . 1 1 97 97 SER CA C 97 59.180 59.180 59.004 0.176 18953 9179 1 10 . 1 1 97 97 SER CB C 97 63.740 63.740 63.973 -0.233 18953 9180 1 10 . 1 1 97 97 SER H H 97 8.728 8.728 8.795 -0.067 18953 9181 1 10 . 1 1 98 98 ASP N N 98 116.560 116.560 122.199 -5.639 18953 9182 1 10 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.207 -0.242 18953 9183 1 10 . 1 1 98 98 ASP C C 98 176.991 176.991 175.041 1.950 18953 9184 1 10 . 1 1 98 98 ASP CA C 98 56.873 56.873 57.149 -0.276 18953 9185 1 10 . 1 1 98 98 ASP CB C 98 39.514 39.514 40.395 -0.881 18953 9186 1 10 . 1 1 98 98 ASP H H 98 9.714 9.714 8.543 1.171 18953 9187 1 10 . 1 1 99 99 MET N N 99 112.109 112.109 118.400 -6.291 18953 9188 1 10 . 1 1 99 99 MET HA H 99 2.689 2.689 3.940 -1.251 18953 9189 1 10 . 1 1 99 99 MET C C 99 176.133 176.133 174.282 1.851 18953 9190 1 10 . 1 1 99 99 MET CA C 99 56.596 56.596 54.670 1.925 18953 9191 1 10 . 1 1 99 99 MET CB C 99 27.203 27.203 33.510 -6.306 18953 9192 1 10 . 1 1 99 99 MET H H 99 8.425 8.425 7.816 0.609 18953 9193 1 10 . 1 1 100 100 GLY N N 100 104.572 104.572 106.637 -2.065 18953 9194 1 10 . 1 1 100 100 GLY C C 100 177.855 177.855 174.503 3.352 18953 9195 1 10 . 1 1 100 100 GLY CA C 100 44.345 44.345 43.851 0.494 18953 9196 1 10 . 1 1 100 100 GLY H H 100 6.670 6.670 7.450 -0.780 18953 9197 1 10 . 1 1 101 101 GLY N N 101 105.792 105.792 107.990 -2.198 18953 9198 1 10 . 1 1 101 101 GLY C C 101 177.525 177.525 174.013 3.512 18953 9199 1 10 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.662 0.444 18953 9200 1 10 . 1 1 101 101 GLY H H 101 8.446 8.446 8.076 0.370 18953 9201 1 10 . 1 1 102 102 ARG N N 102 121.688 121.688 121.903 -0.215 18953 9202 1 10 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.250 -0.252 18953 9203 1 10 . 1 1 102 102 ARG C C 102 177.803 177.803 175.874 1.929 18953 9204 1 10 . 1 1 102 102 ARG CA C 102 58.368 58.368 55.743 2.625 18953 9205 1 10 . 1 1 102 102 ARG CB C 102 31.684 31.684 30.827 0.857 18953 9206 1 10 . 1 1 102 102 ARG H H 102 8.785 8.785 8.086 0.699 18953 9207 1 10 . 1 1 103 103 MET N N 103 122.371 122.371 125.581 -3.210 18953 9208 1 10 . 1 1 103 103 MET HA H 103 4.754 4.754 4.617 0.137 18953 9209 1 10 . 1 1 103 103 MET C C 103 175.490 175.490 174.704 0.786 18953 9210 1 10 . 1 1 103 103 MET CA C 103 53.993 53.993 53.904 0.089 18953 9211 1 10 . 1 1 103 103 MET CB C 103 34.860 34.860 33.048 1.812 18953 9212 1 10 . 1 1 103 103 MET H H 103 7.905 7.905 8.588 -0.683 18953 9213 1 10 . 1 1 104 104 MET N N 104 127.629 127.629 125.930 1.699 18953 9214 1 10 . 1 1 104 104 MET HA H 104 4.318 4.318 4.460 -0.142 18953 9215 1 10 . 1 1 104 104 MET C C 104 177.870 177.870 173.943 3.927 18953 9216 1 10 . 1 1 104 104 MET CA C 104 54.080 54.080 54.189 -0.109 18953 9217 1 10 . 1 1 104 104 MET CB C 104 35.315 35.315 35.324 -0.009 18953 9218 1 10 . 1 1 104 104 MET H H 104 8.796 8.796 8.315 0.481 18953 9219 1 10 . 1 1 105 105 GLU N N 105 123.753 123.753 122.893 0.860 18953 9220 1 10 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.937 -0.091 18953 9221 1 10 . 1 1 105 105 GLU C C 105 176.871 176.871 175.095 1.776 18953 9222 1 10 . 1 1 105 105 GLU CA C 105 55.688 55.688 54.732 0.956 18953 9223 1 10 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.612 1.903 18953 9224 1 10 . 1 1 105 105 GLU H H 105 8.467 8.467 8.386 0.081 18953 9225 1 10 . 1 1 106 106 LEU N N 106 125.076 125.076 124.356 0.720 18953 9226 1 10 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.893 -0.005 18953 9227 1 10 . 1 1 106 106 LEU C C 106 175.666 175.666 174.923 0.743 18953 9228 1 10 . 1 1 106 106 LEU CA C 106 54.900 54.900 55.126 -0.226 18953 9229 1 10 . 1 1 106 106 LEU CB C 106 46.797 46.797 45.629 1.168 18953 9230 1 10 . 1 1 106 106 LEU H H 106 8.933 8.933 9.003 -0.070 18953 9231 1 10 . 1 1 107 107 MET N N 107 120.889 120.889 124.724 -3.835 18953 9232 1 10 . 1 1 107 107 MET HA H 107 5.152 5.152 4.942 0.210 18953 9233 1 10 . 1 1 107 107 MET C C 107 177.873 177.873 174.040 3.833 18953 9234 1 10 . 1 1 107 107 MET CA C 107 55.430 55.430 55.078 0.352 18953 9235 1 10 . 1 1 107 107 MET CB C 107 35.107 35.107 33.108 1.999 18953 9236 1 10 . 1 1 107 107 MET H H 107 9.099 9.099 8.975 0.124 18953 9237 1 10 . 1 1 108 108 ASP N N 108 120.261 120.261 117.850 2.411 18953 9238 1 10 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.865 -0.416 18953 9239 1 10 . 1 1 108 108 ASP C C 108 178.998 178.998 174.750 4.248 18953 9240 1 10 . 1 1 108 108 ASP CA C 108 51.953 51.953 53.828 -1.875 18953 9241 1 10 . 1 1 108 108 ASP CB C 108 43.335 43.335 43.091 0.244 18953 9242 1 10 . 1 1 108 108 ASP H H 108 7.874 7.874 7.779 0.095 18953 9243 1 10 . 1 1 109 109 ASP N N 109 115.191 115.191 118.871 -3.680 18953 9244 1 10 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.737 0.101 18953 9245 1 10 . 1 1 109 109 ASP C C 109 174.768 174.768 175.274 -0.506 18953 9246 1 10 . 1 1 109 109 ASP CA C 109 55.106 55.106 53.535 1.571 18953 9247 1 10 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.147 -0.089 18953 9248 1 10 . 1 1 109 109 ASP H H 109 8.065 8.065 8.516 -0.451 18953 9249 1 10 . 1 1 110 110 CYS N N 110 120.716 120.716 120.783 -0.067 18953 9250 1 10 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.960 0.179 18953 9251 1 10 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.611 0.206 18953 9252 1 10 . 1 1 110 110 CYS CB C 110 29.730 29.730 28.884 0.846 18953 9253 1 10 . 1 1 110 110 CYS H H 110 9.583 9.583 8.692 0.891 18953 9254 1 10 . 1 1 111 111 PRO HA H 111 3.971 3.971 4.030 -0.059 18953 9255 1 10 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.808 -0.664 18953 9256 1 10 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.036 -0.127 18953 9257 1 10 . 1 1 112 112 ASN N N 112 116.300 116.300 115.255 1.045 18953 9258 1 10 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.754 0.021 18953 9259 1 10 . 1 1 112 112 ASN C C 112 175.948 175.948 175.644 0.304 18953 9260 1 10 . 1 1 112 112 ASN CA C 112 54.121 54.121 51.852 2.269 18953 9261 1 10 . 1 1 112 112 ASN CB C 112 38.709 38.709 38.467 0.242 18953 9262 1 10 . 1 1 112 112 ASN H H 112 7.385 7.385 7.695 -0.310 18953 9263 1 10 . 1 1 113 113 LEU N N 113 129.895 129.895 123.939 5.956 18953 9264 1 10 . 1 1 113 113 LEU HA H 113 4.157 4.157 3.888 0.269 18953 9265 1 10 . 1 1 113 113 LEU C C 113 173.709 173.709 177.785 -4.076 18953 9266 1 10 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.183 1.706 18953 9267 1 10 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.039 0.412 18953 9268 1 10 . 1 1 113 113 LEU H H 113 8.154 8.154 8.446 -0.292 18953 9269 1 10 . 1 1 114 114 MET N N 114 120.939 120.939 117.590 3.349 18953 9270 1 10 . 1 1 114 114 MET HA H 114 4.204 4.204 4.108 0.096 18953 9271 1 10 . 1 1 114 114 MET C C 114 171.942 171.942 178.213 -6.271 18953 9272 1 10 . 1 1 114 114 MET CA C 114 58.354 58.354 58.726 -0.372 18953 9273 1 10 . 1 1 114 114 MET CB C 114 31.118 31.118 31.550 -0.432 18953 9274 1 10 . 1 1 114 114 MET H H 114 8.421 8.421 8.033 0.388 18953 9275 1 10 . 1 1 115 115 ASP N N 115 119.204 119.204 117.551 1.653 18953 9276 1 10 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.765 -0.492 18953 9277 1 10 . 1 1 115 115 ASP C C 115 174.228 174.228 177.885 -3.657 18953 9278 1 10 . 1 1 115 115 ASP CA C 115 56.737 56.737 55.905 0.832 18953 9279 1 10 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.700 -0.080 18953 9280 1 10 . 1 1 115 115 ASP H H 115 7.695 7.695 7.727 -0.032 18953 9281 1 10 . 1 1 116 116 ARG N N 116 116.937 116.937 118.791 -1.854 18953 9282 1 10 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.135 -0.077 18953 9283 1 10 . 1 1 116 116 ARG C C 116 174.084 174.084 177.703 -3.619 18953 9284 1 10 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.670 -0.831 18953 9285 1 10 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.698 1.401 18953 9286 1 10 . 1 1 116 116 ARG H H 116 7.118 7.118 7.252 -0.134 18953 9287 1 10 . 1 1 117 117 PHE N N 117 113.914 113.914 114.754 -0.840 18953 9288 1 10 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.734 0.391 18953 9289 1 10 . 1 1 117 117 PHE C C 117 175.681 175.681 174.468 1.213 18953 9290 1 10 . 1 1 117 117 PHE CA C 117 57.040 57.040 56.134 0.906 18953 9291 1 10 . 1 1 117 117 PHE CB C 117 41.881 41.881 39.023 2.858 18953 9292 1 10 . 1 1 117 117 PHE H H 117 8.641 8.641 7.555 1.086 18953 9293 1 10 . 1 1 118 118 ASN N N 118 117.137 117.137 115.610 1.527 18953 9294 1 10 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.585 0.261 18953 9295 1 10 . 1 1 118 118 ASN C C 118 177.553 177.553 174.498 3.055 18953 9296 1 10 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.372 0.666 18953 9297 1 10 . 1 1 118 118 ASN CB C 118 38.049 38.049 37.072 0.977 18953 9298 1 10 . 1 1 118 118 ASN H H 118 8.478 8.478 7.823 0.655 18953 9299 1 10 . 1 1 119 119 MET N N 119 114.316 114.316 118.293 -3.977 18953 9300 1 10 . 1 1 119 119 MET HA H 119 4.386 4.386 4.639 -0.253 18953 9301 1 10 . 1 1 119 119 MET C C 119 178.321 178.321 174.151 4.170 18953 9302 1 10 . 1 1 119 119 MET CA C 119 55.950 55.950 54.538 1.412 18953 9303 1 10 . 1 1 119 119 MET CB C 119 37.233 37.233 34.651 2.582 18953 9304 1 10 . 1 1 119 119 MET H H 119 7.286 7.286 7.337 -0.051 18953 9305 1 10 . 1 1 120 120 SER N N 120 111.310 111.310 118.686 -7.376 18953 9306 1 10 . 1 1 120 120 SER HA H 120 4.682 4.682 4.861 -0.179 18953 9307 1 10 . 1 1 120 120 SER C C 120 179.047 179.047 173.381 5.666 18953 9308 1 10 . 1 1 120 120 SER CA C 120 57.435 57.435 56.926 0.509 18953 9309 1 10 . 1 1 120 120 SER CB C 120 65.594 65.594 64.768 0.826 18953 9310 1 10 . 1 1 120 120 SER H H 120 8.361 8.361 8.427 -0.066 18953 9311 1 10 . 1 1 121 121 ASP N N 121 120.422 120.422 123.126 -2.704 18953 9312 1 10 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.638 -0.556 18953 9313 1 10 . 1 1 121 121 ASP C C 121 177.532 177.532 174.693 2.839 18953 9314 1 10 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.662 -0.032 18953 9315 1 10 . 1 1 121 121 ASP CB C 121 43.513 43.513 43.300 0.213 18953 9316 1 10 . 1 1 121 121 ASP H H 121 6.829 6.829 7.233 -0.404 18953 9317 1 10 . 1 1 122 122 PHE N N 122 120.611 120.611 120.077 0.534 18953 9318 1 10 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.805 -0.110 18953 9319 1 10 . 1 1 122 122 PHE C C 122 177.316 177.316 175.495 1.821 18953 9320 1 10 . 1 1 122 122 PHE CA C 122 57.660 57.660 56.136 1.524 18953 9321 1 10 . 1 1 122 122 PHE CB C 122 40.871 40.871 39.995 0.876 18953 9322 1 10 . 1 1 122 122 PHE H H 122 8.376 8.376 8.359 0.017 18953 9323 1 10 . 1 1 123 123 HIS N N 123 116.193 116.193 118.156 -1.963 18953 9324 1 10 . 1 1 123 123 HIS HA H 123 4.765 4.765 5.144 -0.379 18953 9325 1 10 . 1 1 123 123 HIS C C 123 176.431 176.431 175.117 1.314 18953 9326 1 10 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.322 1.282 18953 9327 1 10 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.359 1.921 18953 9328 1 10 . 1 1 123 123 HIS H H 123 7.577 7.577 8.783 -1.206 18953 9329 1 10 . 1 1 124 124 SER N N 124 107.332 107.332 113.628 -6.296 18953 9330 1 10 . 1 1 124 124 SER HA H 124 4.698 4.698 5.285 -0.587 18953 9331 1 10 . 1 1 124 124 SER C C 124 178.179 178.179 172.353 5.826 18953 9332 1 10 . 1 1 124 124 SER CA C 124 59.556 59.556 57.776 1.780 18953 9333 1 10 . 1 1 124 124 SER CB C 124 65.667 65.667 65.207 0.460 18953 9334 1 10 . 1 1 124 124 SER H H 124 8.256 8.256 8.475 -0.219 18953 9335 1 10 . 1 1 125 125 CYS N N 125 113.874 113.874 120.087 -6.213 18953 9336 1 10 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.664 -0.113 18953 9337 1 10 . 1 1 125 125 CYS C C 125 179.655 179.655 172.482 7.173 18953 9338 1 10 . 1 1 125 125 CYS CA C 125 57.871 57.871 57.536 0.335 18953 9339 1 10 . 1 1 125 125 CYS CB C 125 30.586 30.586 30.780 -0.194 18953 9340 1 10 . 1 1 125 125 CYS H H 125 9.561 9.561 8.886 0.675 18953 9341 1 10 . 1 1 126 126 HIS N N 126 124.829 124.829 119.091 5.738 18953 9342 1 10 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.374 0.107 18953 9343 1 10 . 1 1 126 126 HIS C C 126 176.575 176.575 173.339 3.236 18953 9344 1 10 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.482 -2.175 18953 9345 1 10 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.839 1.284 18953 9346 1 10 . 1 1 126 126 HIS H H 126 9.858 9.858 8.959 0.899 18953 9347 1 10 . 1 1 127 127 VAL N N 127 128.620 128.620 125.627 2.993 18953 9348 1 10 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.464 -0.590 18953 9349 1 10 . 1 1 127 127 VAL C C 127 176.660 176.660 175.111 1.549 18953 9350 1 10 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.023 2.462 18953 9351 1 10 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.692 -2.693 18953 9352 1 10 . 1 1 127 127 VAL H H 127 9.408 9.408 8.045 1.363 18953 9353 1 10 . 1 1 128 128 MET N N 128 129.466 129.466 123.965 5.501 18953 9354 1 10 . 1 1 128 128 MET HA H 128 3.930 3.930 4.846 -0.916 18953 9355 1 10 . 1 1 128 128 MET C C 128 176.093 176.093 176.186 -0.093 18953 9356 1 10 . 1 1 128 128 MET CA C 128 58.109 58.109 54.712 3.397 18953 9357 1 10 . 1 1 128 128 MET CB C 128 34.019 34.019 32.910 1.109 18953 9358 1 10 . 1 1 128 128 MET H H 128 7.906 7.906 8.807 -0.901 18953 9359 1 10 . 1 1 129 129 ASP N N 129 116.435 116.435 111.354 5.081 18953 9360 1 10 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.669 0.163 18953 9361 1 10 . 1 1 129 129 ASP C C 129 174.959 174.959 175.174 -0.215 18953 9362 1 10 . 1 1 129 129 ASP CA C 129 54.180 54.180 53.751 0.429 18953 9363 1 10 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.010 3.121 18953 9364 1 10 . 1 1 129 129 ASP H H 129 8.349 8.349 7.680 0.669 18953 9365 1 10 . 1 1 130 130 GLY N N 130 113.062 113.062 106.991 6.071 18953 9366 1 10 . 1 1 130 130 GLY C C 130 183.642 183.642 171.848 11.794 18953 9367 1 10 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.147 0.325 18953 9368 1 10 . 1 1 130 130 GLY H H 130 8.479 8.479 7.790 0.689 18953 9369 1 10 . 1 1 131 131 HIS N N 131 114.389 114.389 119.557 -5.168 18953 9370 1 10 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.723 0.279 18953 9371 1 10 . 1 1 131 131 HIS C C 131 176.470 176.470 173.530 2.940 18953 9372 1 10 . 1 1 131 131 HIS CA C 131 56.318 56.318 54.851 1.467 18953 9373 1 10 . 1 1 131 131 HIS CB C 131 34.035 34.035 31.741 2.295 18953 9374 1 10 . 1 1 131 131 HIS H H 131 6.228 6.228 7.484 -1.256 18953 9375 1 10 . 1 1 132 132 TRP N N 132 122.333 122.333 123.668 -1.335 18953 9376 1 10 . 1 1 132 132 TRP HA H 132 5.135 5.135 4.936 0.199 18953 9377 1 10 . 1 1 132 132 TRP C C 132 177.557 177.557 174.529 3.028 18953 9378 1 10 . 1 1 132 132 TRP CA C 132 56.896 56.896 55.907 0.989 18953 9379 1 10 . 1 1 132 132 TRP CB C 132 33.795 33.795 31.555 2.240 18953 9380 1 10 . 1 1 132 132 TRP H H 132 8.838 8.838 8.668 0.170 18953 9381 1 10 . 1 1 133 133 LEU N N 133 121.883 121.883 125.437 -3.554 18953 9382 1 10 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.053 0.069 18953 9383 1 10 . 1 1 133 133 LEU C C 133 176.457 176.457 174.848 1.609 18953 9384 1 10 . 1 1 133 133 LEU CA C 133 53.536 53.536 53.478 0.058 18953 9385 1 10 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.858 2.712 18953 9386 1 10 . 1 1 133 133 LEU H H 133 9.403 9.403 9.082 0.321 18953 9387 1 10 . 1 1 134 134 VAL N N 134 123.013 123.013 126.771 -3.758 18953 9388 1 10 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.465 0.094 18953 9389 1 10 . 1 1 134 134 VAL C C 134 177.780 177.780 174.588 3.192 18953 9390 1 10 . 1 1 134 134 VAL CA C 134 60.949 60.949 60.981 -0.032 18953 9391 1 10 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.425 -0.336 18953 9392 1 10 . 1 1 134 134 VAL H H 134 8.948 8.948 9.144 -0.196 18953 9393 1 10 . 1 1 135 135 TYR N N 135 122.405 122.405 124.889 -2.484 18953 9394 1 10 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.626 0.914 18953 9395 1 10 . 1 1 135 135 TYR C C 135 172.456 172.456 175.497 -3.041 18953 9396 1 10 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.879 -0.882 18953 9397 1 10 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.975 -1.230 18953 9398 1 10 . 1 1 135 135 TYR H H 135 9.068 9.068 9.453 -0.385 18953 9399 1 10 . 1 1 136 136 GLU N N 136 121.335 121.335 124.042 -2.707 18953 9400 1 10 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.411 -0.308 18953 9401 1 10 . 1 1 136 136 GLU C C 136 176.022 176.022 176.550 -0.528 18953 9402 1 10 . 1 1 136 136 GLU CA C 136 59.896 59.896 58.532 1.364 18953 9403 1 10 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.508 2.419 18953 9404 1 10 . 1 1 136 136 GLU H H 136 9.360 9.360 8.204 1.156 18953 9405 1 10 . 1 1 137 137 GLN N N 137 111.530 111.530 116.991 -5.461 18953 9406 1 10 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.860 0.107 18953 9407 1 10 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.410 0.423 18953 9408 1 10 . 1 1 137 137 GLN CB C 137 29.142 29.142 29.885 -0.743 18953 9409 1 10 . 1 1 137 137 GLN H H 137 7.808 7.808 8.063 -0.255 18953 9410 1 10 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.193 -0.051 18953 9411 1 10 . 1 1 138 138 PRO C C 138 176.607 176.607 177.301 -0.694 18953 9412 1 10 . 1 1 138 138 PRO CA C 138 62.461 62.461 64.322 -1.861 18953 9413 1 10 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.243 0.950 18953 9414 1 10 . 1 1 139 139 ASN N N 139 113.240 113.240 113.921 -0.681 18953 9415 1 10 . 1 1 139 139 ASN HA H 139 3.356 3.356 3.844 -0.488 18953 9416 1 10 . 1 1 139 139 ASN C C 139 177.996 177.996 174.380 3.616 18953 9417 1 10 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.016 0.231 18953 9418 1 10 . 1 1 139 139 ASN CB C 139 36.635 36.635 37.011 -0.376 18953 9419 1 10 . 1 1 139 139 ASN H H 139 9.683 9.683 8.210 1.473 18953 9420 1 10 . 1 1 140 140 TYR N N 140 113.289 113.289 111.104 2.185 18953 9421 1 10 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.100 -0.340 18953 9422 1 10 . 1 1 140 140 TYR C C 140 176.488 176.488 173.715 2.773 18953 9423 1 10 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.485 -3.189 18953 9424 1 10 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.570 -0.610 18953 9425 1 10 . 1 1 140 140 TYR H H 140 8.000 8.000 8.093 -0.093 18953 9426 1 10 . 1 1 141 141 THR N N 141 108.766 108.766 113.320 -4.554 18953 9427 1 10 . 1 1 141 141 THR HA H 141 4.697 4.697 4.743 -0.046 18953 9428 1 10 . 1 1 141 141 THR C C 141 178.578 178.578 173.443 5.135 18953 9429 1 10 . 1 1 141 141 THR CA C 141 60.128 60.128 61.305 -1.177 18953 9430 1 10 . 1 1 141 141 THR CB C 141 72.848 72.848 72.428 0.420 18953 9431 1 10 . 1 1 141 141 THR H H 141 6.280 6.280 8.075 -1.795 18953 9432 1 10 . 1 1 142 142 GLY N N 142 106.121 106.121 108.333 -2.212 18953 9433 1 10 . 1 1 142 142 GLY C C 142 177.117 177.117 173.132 3.985 18953 9434 1 10 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.692 -0.525 18953 9435 1 10 . 1 1 142 142 GLY H H 142 8.285 8.285 8.309 -0.024 18953 9436 1 10 . 1 1 143 143 ARG N N 143 120.212 120.212 122.609 -2.397 18953 9437 1 10 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.874 0.062 18953 9438 1 10 . 1 1 143 143 ARG C C 143 177.580 177.580 175.708 1.872 18953 9439 1 10 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.569 1.552 18953 9440 1 10 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.562 1.594 18953 9441 1 10 . 1 1 143 143 ARG H H 143 8.583 8.583 8.279 0.304 18953 9442 1 10 . 1 1 144 144 GLN N N 144 119.516 119.516 121.217 -1.701 18953 9443 1 10 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.576 0.315 18953 9444 1 10 . 1 1 144 144 GLN C C 144 176.985 176.985 174.482 2.503 18953 9445 1 10 . 1 1 144 144 GLN CA C 144 53.322 53.322 53.522 -0.200 18953 9446 1 10 . 1 1 144 144 GLN CB C 144 32.645 32.645 29.659 2.986 18953 9447 1 10 . 1 1 144 144 GLN H H 144 7.552 7.552 7.798 -0.246 18953 9448 1 10 . 1 1 145 145 PHE N N 145 114.745 114.745 119.318 -4.573 18953 9449 1 10 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.892 -0.235 18953 9450 1 10 . 1 1 145 145 PHE C C 145 176.969 176.969 174.847 2.122 18953 9451 1 10 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.029 -0.123 18953 9452 1 10 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.758 -0.491 18953 9453 1 10 . 1 1 145 145 PHE H H 145 8.696 8.696 8.607 0.089 18953 9454 1 10 . 1 1 146 146 TYR N N 146 124.271 124.271 125.233 -0.962 18953 9455 1 10 . 1 1 146 146 TYR HA H 146 5.274 5.274 5.126 0.148 18953 9456 1 10 . 1 1 146 146 TYR C C 146 176.212 176.212 174.403 1.809 18953 9457 1 10 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.386 -1.646 18953 9458 1 10 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.885 -0.651 18953 9459 1 10 . 1 1 146 146 TYR H H 146 8.915 8.915 9.207 -0.292 18953 9460 1 10 . 1 1 147 147 LEU N N 147 103.207 103.207 129.326 -26.119 18953 9461 1 10 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.636 -0.245 18953 9462 1 10 . 1 1 147 147 LEU C C 147 178.198 178.198 175.614 2.584 18953 9463 1 10 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.181 0.788 18953 9464 1 10 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.384 1.761 18953 9465 1 10 . 1 1 147 147 LEU H H 147 9.229 9.229 8.809 0.420 18953 9466 1 10 . 1 1 148 148 ARG N N 148 120.815 120.815 122.247 -1.432 18953 9467 1 10 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.949 -0.370 18953 9468 1 10 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.494 0.500 18953 9469 1 10 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.820 -0.564 18953 9470 1 10 . 1 1 148 148 ARG H H 148 6.955 6.955 9.117 -2.162 18953 9471 1 10 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.124 0.062 18953 9472 1 10 . 1 1 149 149 PRO C C 149 175.154 175.154 177.403 -2.249 18953 9473 1 10 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.575 1.280 18953 9474 1 10 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.826 -0.189 18953 9475 1 10 . 1 1 150 150 GLY N N 150 111.695 111.695 107.317 4.378 18953 9476 1 10 . 1 1 150 150 GLY C C 150 179.740 179.740 171.338 8.402 18953 9477 1 10 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.270 0.343 18953 9478 1 10 . 1 1 150 150 GLY H H 150 8.965 8.965 7.472 1.493 18953 9479 1 10 . 1 1 151 151 GLU N N 151 118.822 118.822 119.356 -0.534 18953 9480 1 10 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.968 -0.645 18953 9481 1 10 . 1 1 151 151 GLU C C 151 176.078 176.078 174.885 1.193 18953 9482 1 10 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.097 1.456 18953 9483 1 10 . 1 1 151 151 GLU CB C 151 31.878 31.878 32.194 -0.316 18953 9484 1 10 . 1 1 151 151 GLU H H 151 8.403 8.403 8.190 0.213 18953 9485 1 10 . 1 1 152 152 TYR N N 152 123.055 123.055 122.019 1.036 18953 9486 1 10 . 1 1 152 152 TYR HA H 152 4.740 4.740 5.011 -0.271 18953 9487 1 10 . 1 1 152 152 TYR C C 152 176.413 176.413 175.864 0.549 18953 9488 1 10 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.428 -0.458 18953 9489 1 10 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.924 -3.150 18953 9490 1 10 . 1 1 152 152 TYR H H 152 8.859 8.859 9.394 -0.535 18953 9491 1 10 . 1 1 153 153 ARG N N 153 124.271 124.271 116.479 7.792 18953 9492 1 10 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.686 -0.670 18953 9493 1 10 . 1 1 153 153 ARG C C 153 176.727 176.727 175.355 1.372 18953 9494 1 10 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.588 4.616 18953 9495 1 10 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.207 -1.867 18953 9496 1 10 . 1 1 153 153 ARG H H 153 8.882 8.882 9.199 -0.317 18953 9497 1 10 . 1 1 154 154 SER N N 154 111.500 111.500 113.504 -2.004 18953 9498 1 10 . 1 1 154 154 SER HA H 154 5.194 5.194 4.598 0.596 18953 9499 1 10 . 1 1 154 154 SER C C 154 176.379 176.379 173.612 2.767 18953 9500 1 10 . 1 1 154 154 SER CA C 154 56.894 56.894 56.953 -0.059 18953 9501 1 10 . 1 1 154 154 SER CB C 154 66.352 66.352 65.173 1.179 18953 9502 1 10 . 1 1 154 154 SER H H 154 8.070 8.070 8.002 0.068 18953 9503 1 10 . 1 1 155 155 TYR N N 155 119.386 119.386 121.041 -1.655 18953 9504 1 10 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.242 -2.079 18953 9505 1 10 . 1 1 155 155 TYR C C 155 174.639 174.639 176.658 -2.019 18953 9506 1 10 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.927 -2.558 18953 9507 1 10 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.358 1.042 18953 9508 1 10 . 1 1 155 155 TYR H H 155 7.638 7.638 7.232 0.406 18953 9509 1 10 . 1 1 156 156 ASN N N 156 119.038 119.038 113.937 5.101 18953 9510 1 10 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.429 -0.309 18953 9511 1 10 . 1 1 156 156 ASN C C 156 172.889 172.889 174.941 -2.052 18953 9512 1 10 . 1 1 156 156 ASN CA C 156 55.596 55.596 54.230 1.367 18953 9513 1 10 . 1 1 156 156 ASN CB C 156 38.621 38.621 37.589 1.032 18953 9514 1 10 . 1 1 156 156 ASN H H 156 6.819 6.819 7.839 -1.020 18953 9515 1 10 . 1 1 157 157 ASP N N 157 118.338 118.338 120.826 -2.488 18953 9516 1 10 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.532 0.049 18953 9517 1 10 . 1 1 157 157 ASP C C 157 173.908 173.908 177.222 -3.314 18953 9518 1 10 . 1 1 157 157 ASP CA C 157 57.382 57.382 57.022 0.360 18953 9519 1 10 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.719 -0.092 18953 9520 1 10 . 1 1 157 157 ASP H H 157 7.791 7.791 7.630 0.161 18953 9521 1 10 . 1 1 158 158 TRP N N 158 114.610 114.610 119.245 -4.635 18953 9522 1 10 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.960 0.374 18953 9523 1 10 . 1 1 158 158 TRP C C 158 175.711 175.711 176.490 -0.779 18953 9524 1 10 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.675 0.394 18953 9525 1 10 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.757 -0.638 18953 9526 1 10 . 1 1 158 158 TRP H H 158 7.000 7.000 6.883 0.117 18953 9527 1 10 . 1 1 159 159 GLY N N 159 108.647 108.647 107.768 0.879 18953 9528 1 10 . 1 1 159 159 GLY C C 159 175.991 175.991 174.810 1.181 18953 9529 1 10 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.025 0.707 18953 9530 1 10 . 1 1 159 159 GLY H H 159 7.588 7.588 7.739 -0.151 18953 9531 1 10 . 1 1 160 160 GLY N N 160 107.348 107.348 106.856 0.492 18953 9532 1 10 . 1 1 160 160 GLY C C 160 178.604 178.604 173.123 5.481 18953 9533 1 10 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.832 1.524 18953 9534 1 10 . 1 1 160 160 GLY H H 160 7.326 7.326 7.937 -0.611 18953 9535 1 10 . 1 1 161 161 VAL N N 161 118.047 118.047 115.624 2.423 18953 9536 1 10 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.300 -0.048 18953 9537 1 10 . 1 1 161 161 VAL C C 161 175.118 175.118 175.637 -0.519 18953 9538 1 10 . 1 1 161 161 VAL CA C 161 63.303 63.303 63.279 0.024 18953 9539 1 10 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.764 -0.929 18953 9540 1 10 . 1 1 161 161 VAL H H 161 8.697 8.697 8.366 0.331 18953 9541 1 10 . 1 1 162 162 THR N N 162 111.630 111.630 111.440 0.190 18953 9542 1 10 . 1 1 162 162 THR HA H 162 3.659 3.659 4.084 -0.425 18953 9543 1 10 . 1 1 162 162 THR C C 162 179.191 179.191 173.767 5.424 18953 9544 1 10 . 1 1 162 162 THR CA C 162 59.431 59.431 60.317 -0.886 18953 9545 1 10 . 1 1 162 162 THR CB C 162 71.935 71.935 71.154 0.781 18953 9546 1 10 . 1 1 162 162 THR H H 162 7.864 7.864 7.264 0.600 18953 9547 1 10 . 1 1 163 163 SER N N 163 112.275 112.275 114.678 -2.403 18953 9548 1 10 . 1 1 163 163 SER HA H 163 4.018 4.018 4.799 -0.781 18953 9549 1 10 . 1 1 163 163 SER C C 163 178.307 178.307 174.323 3.984 18953 9550 1 10 . 1 1 163 163 SER CA C 163 57.968 57.968 57.324 0.644 18953 9551 1 10 . 1 1 163 163 SER CB C 163 63.093 63.093 63.782 -0.689 18953 9552 1 10 . 1 1 163 163 SER H H 163 7.502 7.502 8.577 -1.075 18953 9553 1 10 . 1 1 164 164 ARG N N 164 122.770 122.770 124.248 -1.478 18953 9554 1 10 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.492 -0.067 18953 9555 1 10 . 1 1 164 164 ARG C C 164 175.003 175.003 174.988 0.015 18953 9556 1 10 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.535 0.602 18953 9557 1 10 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.653 1.800 18953 9558 1 10 . 1 1 164 164 ARG H H 164 7.578 7.578 7.693 -0.115 18953 9559 1 10 . 1 1 165 165 MET N N 165 122.454 122.454 121.308 1.146 18953 9560 1 10 . 1 1 165 165 MET HA H 165 4.620 4.620 4.927 -0.307 18953 9561 1 10 . 1 1 165 165 MET C C 165 177.244 177.244 175.797 1.447 18953 9562 1 10 . 1 1 165 165 MET CA C 165 56.192 56.192 55.333 0.859 18953 9563 1 10 . 1 1 165 165 MET CB C 165 37.269 37.269 33.920 3.349 18953 9564 1 10 . 1 1 165 165 MET H H 165 8.480 8.480 8.638 -0.158 18953 9565 1 10 . 1 1 166 166 GLY N N 166 107.987 107.987 110.164 -2.177 18953 9566 1 10 . 1 1 166 166 GLY C C 166 177.648 177.648 173.513 4.135 18953 9567 1 10 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.826 0.866 18953 9568 1 10 . 1 1 166 166 GLY H H 166 9.046 9.046 8.637 0.409 18953 9569 1 10 . 1 1 167 167 SER N N 167 113.024 113.024 116.316 -3.292 18953 9570 1 10 . 1 1 167 167 SER HA H 167 4.562 4.562 5.703 -1.141 18953 9571 1 10 . 1 1 167 167 SER C C 167 179.104 179.104 173.049 6.055 18953 9572 1 10 . 1 1 167 167 SER CA C 167 58.729 58.729 56.479 2.250 18953 9573 1 10 . 1 1 167 167 SER CB C 167 64.816 64.816 66.072 -1.256 18953 9574 1 10 . 1 1 167 167 SER H H 167 8.257 8.257 8.038 0.219 18953 9575 1 10 . 1 1 168 168 ILE N N 168 118.927 118.927 121.101 -2.174 18953 9576 1 10 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.080 0.428 18953 9577 1 10 . 1 1 168 168 ILE C C 168 177.783 177.783 174.369 3.414 18953 9578 1 10 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.946 0.215 18953 9579 1 10 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.004 1.206 18953 9580 1 10 . 1 1 168 168 ILE H H 168 8.922 8.922 9.225 -0.303 18953 9581 1 10 . 1 1 169 169 ARG N N 169 124.820 124.820 125.036 -0.216 18953 9582 1 10 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.869 0.176 18953 9583 1 10 . 1 1 169 169 ARG C C 169 177.350 177.350 174.065 3.285 18953 9584 1 10 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.393 -0.208 18953 9585 1 10 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.710 0.281 18953 9586 1 10 . 1 1 169 169 ARG H H 169 9.757 9.757 9.407 0.350 18953 9587 1 10 . 1 1 170 170 ARG N N 170 122.951 122.951 124.977 -2.026 18953 9588 1 10 . 1 1 170 170 ARG HA H 170 3.265 3.265 4.031 -0.766 18953 9589 1 10 . 1 1 170 170 ARG C C 170 174.373 174.373 175.625 -1.252 18953 9590 1 10 . 1 1 170 170 ARG CA C 170 55.170 55.170 53.494 1.676 18953 9591 1 10 . 1 1 170 170 ARG CB C 170 30.150 30.150 27.959 2.191 18953 9592 1 10 . 1 1 170 170 ARG H H 170 8.552 8.552 8.501 0.051 18953 9593 1 10 . 1 1 171 171 ILE N N 171 123.280 123.280 119.913 3.367 18953 9594 1 10 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.806 -0.004 18953 9595 1 10 . 1 1 171 171 ILE C C 171 177.088 177.088 175.452 1.636 18953 9596 1 10 . 1 1 171 171 ILE CA C 171 62.561 62.561 61.911 0.650 18953 9597 1 10 . 1 1 171 171 ILE CB C 171 36.326 36.326 36.298 0.028 18953 9598 1 10 . 1 1 171 171 ILE H H 171 8.424 8.424 7.799 0.625 18953 9599 1 10 . 1 1 172 172 THR N N 172 117.270 117.270 122.909 -5.639 18953 9600 1 10 . 1 1 172 172 THR HA H 172 4.558 4.558 4.470 0.088 18953 9601 1 10 . 1 1 172 172 THR C C 172 177.651 177.651 174.046 3.605 18953 9602 1 10 . 1 1 172 172 THR CA C 172 60.095 60.095 60.187 -0.092 18953 9603 1 10 . 1 1 172 172 THR CB C 172 70.040 70.040 67.775 2.265 18953 9604 1 10 . 1 1 172 172 THR H H 172 7.299 7.299 8.021 -0.722 18953 9605 1 10 . 1 1 173 173 ASP N N 173 121.598 121.598 122.508 -0.910 18953 9606 1 10 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.290 0.155 18953 9607 1 10 . 1 1 173 173 ASP C C 173 177.041 177.041 176.215 0.826 18953 9608 1 10 . 1 1 173 173 ASP CA C 173 55.010 55.010 55.263 -0.253 18953 9609 1 10 . 1 1 173 173 ASP CB C 173 41.524 41.524 39.813 1.711 18953 9610 1 10 . 1 1 173 173 ASP H H 173 8.477 8.477 8.317 0.160 18953 9611 1 11 . 1 1 2 2 GLY C C 2 182.782 182.782 173.528 9.254 18953 9612 1 11 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.388 -1.841 18953 9613 1 11 . 1 1 3 3 LYS N N 3 120.153 120.153 122.591 -2.438 18953 9614 1 11 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.502 0.513 18953 9615 1 11 . 1 1 3 3 LYS C C 3 179.140 179.140 173.638 5.502 18953 9616 1 11 . 1 1 3 3 LYS CA C 3 57.310 57.310 54.853 2.457 18953 9617 1 11 . 1 1 3 3 LYS CB C 3 35.698 35.698 36.573 -0.875 18953 9618 1 11 . 1 1 3 3 LYS H H 3 8.398 8.398 7.662 0.736 18953 9619 1 11 . 1 1 4 4 ILE N N 4 129.769 129.769 120.931 8.838 18953 9620 1 11 . 1 1 4 4 ILE HA H 4 4.606 4.606 5.014 -0.408 18953 9621 1 11 . 1 1 4 4 ILE C C 4 180.618 180.618 173.321 7.297 18953 9622 1 11 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.936 -0.536 18953 9623 1 11 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.562 -0.543 18953 9624 1 11 . 1 1 4 4 ILE H H 4 8.871 8.871 8.390 0.481 18953 9625 1 11 . 1 1 5 5 ILE N N 5 125.103 125.103 127.752 -2.649 18953 9626 1 11 . 1 1 5 5 ILE HA H 5 4.508 4.508 5.067 -0.559 18953 9627 1 11 . 1 1 5 5 ILE C C 5 177.516 177.516 175.117 2.399 18953 9628 1 11 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.683 1.146 18953 9629 1 11 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.580 -0.163 18953 9630 1 11 . 1 1 5 5 ILE H H 5 8.788 8.788 8.917 -0.129 18953 9631 1 11 . 1 1 6 6 PHE N N 6 125.558 125.558 125.856 -0.298 18953 9632 1 11 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.897 -0.274 18953 9633 1 11 . 1 1 6 6 PHE C C 6 176.512 176.512 174.976 1.536 18953 9634 1 11 . 1 1 6 6 PHE CA C 6 57.219 57.219 57.339 -0.120 18953 9635 1 11 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.279 0.204 18953 9636 1 11 . 1 1 6 6 PHE H H 6 8.540 8.540 9.346 -0.806 18953 9637 1 11 . 1 1 7 7 TYR N N 7 120.647 120.647 119.345 1.302 18953 9638 1 11 . 1 1 7 7 TYR HA H 7 5.171 5.171 5.080 0.091 18953 9639 1 11 . 1 1 7 7 TYR C C 7 173.898 173.898 175.826 -1.928 18953 9640 1 11 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.526 -0.080 18953 9641 1 11 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.967 -3.657 18953 9642 1 11 . 1 1 7 7 TYR H H 7 8.889 8.889 9.388 -0.499 18953 9643 1 11 . 1 1 8 8 GLU N N 8 122.007 122.007 123.524 -1.517 18953 9644 1 11 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.284 -0.103 18953 9645 1 11 . 1 1 8 8 GLU C C 8 174.881 174.881 176.993 -2.112 18953 9646 1 11 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.160 1.907 18953 9647 1 11 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.785 1.267 18953 9648 1 11 . 1 1 8 8 GLU H H 8 8.756 8.756 8.822 -0.066 18953 9649 1 11 . 1 1 9 9 ASP N N 9 114.203 114.203 121.256 -7.053 18953 9650 1 11 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.671 0.551 18953 9651 1 11 . 1 1 9 9 ASP CA C 9 52.366 52.366 53.595 -1.229 18953 9652 1 11 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.151 1.285 18953 9653 1 11 . 1 1 9 9 ASP H H 9 7.977 7.977 8.285 -0.308 18953 9654 1 11 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.315 -1.196 18953 9655 1 11 . 1 1 11 11 ASN CA C 11 56.660 56.660 55.105 1.555 18953 9656 1 11 . 1 1 11 11 ASN CB C 11 35.050 35.050 39.240 -4.190 18953 9657 1 11 . 1 1 13 13 GLY C C 13 178.281 178.281 172.941 5.340 18953 9658 1 11 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.677 -0.231 18953 9659 1 11 . 1 1 14 14 GLY N N 14 105.348 105.348 106.256 -0.908 18953 9660 1 11 . 1 1 14 14 GLY C C 14 176.463 176.463 173.807 2.656 18953 9661 1 11 . 1 1 14 14 GLY CA C 14 45.111 45.111 44.962 0.149 18953 9662 1 11 . 1 1 14 14 GLY H H 14 8.261 8.261 8.378 -0.117 18953 9663 1 11 . 1 1 15 15 ARG N N 15 119.637 119.637 123.192 -3.555 18953 9664 1 11 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.425 -0.214 18953 9665 1 11 . 1 1 15 15 ARG C C 15 176.574 176.574 175.543 1.031 18953 9666 1 11 . 1 1 15 15 ARG CA C 15 57.332 57.332 55.700 1.632 18953 9667 1 11 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.417 0.995 18953 9668 1 11 . 1 1 15 15 ARG H H 15 8.579 8.579 8.494 0.085 18953 9669 1 11 . 1 1 16 16 TYR N N 16 114.846 114.846 121.212 -6.366 18953 9670 1 11 . 1 1 16 16 TYR HA H 16 5.858 5.858 4.960 0.898 18953 9671 1 11 . 1 1 16 16 TYR C C 16 176.510 176.510 174.638 1.872 18953 9672 1 11 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.745 -0.132 18953 9673 1 11 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.962 1.456 18953 9674 1 11 . 1 1 16 16 TYR H H 16 7.617 7.617 7.886 -0.269 18953 9675 1 11 . 1 1 17 17 HIS N N 17 118.443 118.443 118.324 0.119 18953 9676 1 11 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.736 0.074 18953 9677 1 11 . 1 1 17 17 HIS C C 17 177.970 177.970 173.486 4.484 18953 9678 1 11 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.604 -0.042 18953 9679 1 11 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.259 0.345 18953 9680 1 11 . 1 1 17 17 HIS H H 17 8.785 8.785 8.650 0.135 18953 9681 1 11 . 1 1 18 18 GLU N N 18 126.223 126.223 125.753 0.470 18953 9682 1 11 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.719 0.119 18953 9683 1 11 . 1 1 18 18 GLU C C 18 176.504 176.504 175.432 1.072 18953 9684 1 11 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.953 -0.855 18953 9685 1 11 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.437 1.685 18953 9686 1 11 . 1 1 18 18 GLU H H 18 8.529 8.529 8.776 -0.247 18953 9687 1 11 . 1 1 19 19 CYS N N 19 121.383 121.383 124.872 -3.489 18953 9688 1 11 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.744 -0.087 18953 9689 1 11 . 1 1 19 19 CYS C C 19 178.018 178.018 173.712 4.306 18953 9690 1 11 . 1 1 19 19 CYS CA C 19 58.777 58.777 58.461 0.316 18953 9691 1 11 . 1 1 19 19 CYS CB C 19 29.812 29.812 31.605 -1.793 18953 9692 1 11 . 1 1 19 19 CYS H H 19 9.163 9.163 9.188 -0.025 18953 9693 1 11 . 1 1 20 20 MET N N 20 126.877 126.877 118.906 7.971 18953 9694 1 11 . 1 1 20 20 MET HA H 20 5.295 5.295 4.781 0.514 18953 9695 1 11 . 1 1 20 20 MET C C 20 176.776 176.776 174.804 1.972 18953 9696 1 11 . 1 1 20 20 MET CA C 20 55.260 55.260 55.446 -0.186 18953 9697 1 11 . 1 1 20 20 MET CB C 20 33.370 33.370 32.660 0.710 18953 9698 1 11 . 1 1 20 20 MET H H 20 8.995 8.995 8.850 0.145 18953 9699 1 11 . 1 1 21 21 SER N N 21 179.042 179.042 113.525 65.517 18953 9700 1 11 . 1 1 21 21 SER HA H 21 4.658 4.658 4.810 -0.152 18953 9701 1 11 . 1 1 21 21 SER C C 21 179.042 179.042 173.233 5.809 18953 9702 1 11 . 1 1 21 21 SER CA C 21 57.586 57.586 57.081 0.505 18953 9703 1 11 . 1 1 21 21 SER CB C 21 65.782 65.782 65.685 0.097 18953 9704 1 11 . 1 1 21 21 SER H H 21 7.990 7.990 7.658 0.332 18953 9705 1 11 . 1 1 22 22 ASP N N 22 117.203 117.203 122.578 -5.375 18953 9706 1 11 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.712 0.239 18953 9707 1 11 . 1 1 22 22 ASP C C 22 173.564 173.564 175.462 -1.898 18953 9708 1 11 . 1 1 22 22 ASP CA C 22 55.471 55.471 55.312 0.159 18953 9709 1 11 . 1 1 22 22 ASP CB C 22 41.819 41.819 41.076 0.743 18953 9710 1 11 . 1 1 22 22 ASP H H 22 8.317 8.317 8.581 -0.264 18953 9711 1 11 . 1 1 23 23 CYS N N 23 121.308 121.308 121.120 0.188 18953 9712 1 11 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.746 0.045 18953 9713 1 11 . 1 1 23 23 CYS C C 23 177.265 177.265 173.826 3.439 18953 9714 1 11 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.612 2.351 18953 9715 1 11 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.085 -0.673 18953 9716 1 11 . 1 1 23 23 CYS H H 23 9.410 9.410 9.109 0.301 18953 9717 1 11 . 1 1 24 24 ALA N N 24 131.693 131.693 129.419 2.274 18953 9718 1 11 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.914 -0.392 18953 9719 1 11 . 1 1 24 24 ALA C C 24 175.455 175.455 175.617 -0.162 18953 9720 1 11 . 1 1 24 24 ALA CA C 24 54.614 54.614 51.940 2.675 18953 9721 1 11 . 1 1 24 24 ALA CB C 24 19.175 19.175 18.768 0.406 18953 9722 1 11 . 1 1 24 24 ALA H H 24 9.210 9.210 8.762 0.448 18953 9723 1 11 . 1 1 25 25 ASP N N 25 113.873 113.873 117.259 -3.386 18953 9724 1 11 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.718 0.177 18953 9725 1 11 . 1 1 25 25 ASP C C 25 174.970 174.970 174.202 0.768 18953 9726 1 11 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.624 0.296 18953 9727 1 11 . 1 1 25 25 ASP CB C 25 40.564 40.564 40.254 0.310 18953 9728 1 11 . 1 1 25 25 ASP H H 25 7.524 7.524 7.439 0.085 18953 9729 1 11 . 1 1 26 26 LEU N N 26 127.166 127.166 119.999 7.167 18953 9730 1 11 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.330 -0.331 18953 9731 1 11 . 1 1 26 26 LEU C C 26 173.727 173.727 177.382 -3.655 18953 9732 1 11 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.580 1.571 18953 9733 1 11 . 1 1 26 26 LEU CB C 26 42.359 42.359 43.581 -1.222 18953 9734 1 11 . 1 1 26 26 LEU H H 26 8.495 8.495 8.718 -0.223 18953 9735 1 11 . 1 1 27 27 HIS N N 27 118.732 118.732 118.469 0.263 18953 9736 1 11 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.167 0.370 18953 9737 1 11 . 1 1 27 27 HIS C C 27 175.667 175.667 175.925 -0.258 18953 9738 1 11 . 1 1 27 27 HIS CA C 27 57.793 57.793 58.511 -0.718 18953 9739 1 11 . 1 1 27 27 HIS CB C 27 28.038 28.038 28.951 -0.913 18953 9740 1 11 . 1 1 27 27 HIS H H 27 8.446 8.446 7.471 0.975 18953 9741 1 11 . 1 1 28 28 SER N N 28 112.598 112.598 114.336 -1.738 18953 9742 1 11 . 1 1 28 28 SER HA H 28 3.792 3.792 3.856 -0.064 18953 9743 1 11 . 1 1 28 28 SER C C 28 177.551 177.551 174.422 3.129 18953 9744 1 11 . 1 1 28 28 SER CA C 28 60.406 60.406 60.385 0.021 18953 9745 1 11 . 1 1 28 28 SER CB C 28 62.814 62.814 62.204 0.610 18953 9746 1 11 . 1 1 28 28 SER H H 28 7.237 7.237 7.089 0.148 18953 9747 1 11 . 1 1 29 29 TYR N N 29 118.301 118.301 117.811 0.490 18953 9748 1 11 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.226 0.076 18953 9749 1 11 . 1 1 29 29 TYR C C 29 176.283 176.283 175.123 1.160 18953 9750 1 11 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.144 -1.476 18953 9751 1 11 . 1 1 29 29 TYR CB C 29 39.471 39.471 39.346 0.124 18953 9752 1 11 . 1 1 29 29 TYR H H 29 7.224 7.224 7.011 0.213 18953 9753 1 11 . 1 1 30 30 PHE N N 30 112.713 112.713 112.182 0.531 18953 9754 1 11 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.792 -0.110 18953 9755 1 11 . 1 1 30 30 PHE C C 30 177.785 177.785 174.188 3.597 18953 9756 1 11 . 1 1 30 30 PHE CA C 30 55.924 55.924 56.309 -0.385 18953 9757 1 11 . 1 1 30 30 PHE CB C 30 39.744 39.744 39.855 -0.111 18953 9758 1 11 . 1 1 30 30 PHE H H 30 7.173 7.173 6.812 0.361 18953 9759 1 11 . 1 1 31 31 ASN N N 31 115.959 115.959 119.428 -3.469 18953 9760 1 11 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.661 0.049 18953 9761 1 11 . 1 1 31 31 ASN C C 31 176.537 176.537 174.786 1.751 18953 9762 1 11 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.585 -0.034 18953 9763 1 11 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.276 0.780 18953 9764 1 11 . 1 1 31 31 ASN H H 31 8.918 8.918 9.004 -0.086 18953 9765 1 11 . 1 1 32 32 ARG N N 32 117.693 117.693 117.411 0.282 18953 9766 1 11 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.626 0.001 18953 9767 1 11 . 1 1 32 32 ARG C C 32 178.177 178.177 173.815 4.362 18953 9768 1 11 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.638 -0.482 18953 9769 1 11 . 1 1 32 32 ARG CB C 32 33.091 33.091 34.231 -1.140 18953 9770 1 11 . 1 1 32 32 ARG H H 32 7.893 7.893 7.940 -0.047 18953 9771 1 11 . 1 1 33 33 CYS N N 33 119.494 119.494 120.030 -0.536 18953 9772 1 11 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.713 0.239 18953 9773 1 11 . 1 1 33 33 CYS C C 33 176.223 176.223 174.427 1.796 18953 9774 1 11 . 1 1 33 33 CYS CA C 33 58.307 58.307 57.865 0.442 18953 9775 1 11 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.281 -0.530 18953 9776 1 11 . 1 1 33 33 CYS H H 33 8.161 8.161 8.813 -0.652 18953 9777 1 11 . 1 1 34 34 HIS N N 34 126.786 126.786 126.315 0.471 18953 9778 1 11 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.529 0.493 18953 9779 1 11 . 1 1 34 34 HIS C C 34 176.224 176.224 173.769 2.455 18953 9780 1 11 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.789 -0.091 18953 9781 1 11 . 1 1 34 34 HIS CB C 34 33.309 33.309 32.025 1.284 18953 9782 1 11 . 1 1 34 34 HIS H H 34 8.325 8.325 8.839 -0.514 18953 9783 1 11 . 1 1 35 35 SER N N 35 113.132 113.132 114.782 -1.650 18953 9784 1 11 . 1 1 35 35 SER HA H 35 5.264 5.264 5.147 0.117 18953 9785 1 11 . 1 1 35 35 SER C C 35 179.093 179.093 172.505 6.588 18953 9786 1 11 . 1 1 35 35 SER CA C 35 59.951 59.951 56.997 2.954 18953 9787 1 11 . 1 1 35 35 SER CB C 35 65.754 65.754 64.847 0.907 18953 9788 1 11 . 1 1 35 35 SER H H 35 8.489 8.489 8.057 0.432 18953 9789 1 11 . 1 1 36 36 ILE N N 36 119.607 119.607 124.483 -4.876 18953 9790 1 11 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.505 0.864 18953 9791 1 11 . 1 1 36 36 ILE C C 36 176.313 176.313 173.753 2.560 18953 9792 1 11 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.404 0.090 18953 9793 1 11 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.732 3.038 18953 9794 1 11 . 1 1 36 36 ILE H H 36 8.579 8.579 8.868 -0.289 18953 9795 1 11 . 1 1 37 37 ARG N N 37 126.328 126.328 124.899 1.429 18953 9796 1 11 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.793 0.166 18953 9797 1 11 . 1 1 37 37 ARG C C 37 176.785 176.785 174.047 2.738 18953 9798 1 11 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.321 0.793 18953 9799 1 11 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.965 0.369 18953 9800 1 11 . 1 1 37 37 ARG H H 37 9.342 9.342 8.823 0.519 18953 9801 1 11 . 1 1 38 38 VAL N N 38 125.466 125.466 127.698 -2.232 18953 9802 1 11 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.512 -0.188 18953 9803 1 11 . 1 1 38 38 VAL C C 38 175.196 175.196 176.083 -0.887 18953 9804 1 11 . 1 1 38 38 VAL CA C 38 62.436 62.436 61.349 1.087 18953 9805 1 11 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.043 -0.369 18953 9806 1 11 . 1 1 38 38 VAL H H 38 9.122 9.122 8.974 0.148 18953 9807 1 11 . 1 1 39 39 GLU N N 39 128.582 128.582 127.712 0.870 18953 9808 1 11 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.279 -0.195 18953 9809 1 11 . 1 1 39 39 GLU C C 39 175.200 175.200 176.095 -0.895 18953 9810 1 11 . 1 1 39 39 GLU CA C 39 58.498 58.498 58.091 0.407 18953 9811 1 11 . 1 1 39 39 GLU CB C 39 31.830 31.830 31.108 0.722 18953 9812 1 11 . 1 1 39 39 GLU H H 39 8.258 8.258 8.606 -0.348 18953 9813 1 11 . 1 1 40 40 SER N N 40 108.412 108.412 110.148 -1.736 18953 9814 1 11 . 1 1 40 40 SER HA H 40 4.343 4.343 4.491 -0.148 18953 9815 1 11 . 1 1 40 40 SER C C 40 178.000 178.000 173.339 4.661 18953 9816 1 11 . 1 1 40 40 SER CA C 40 57.623 57.623 57.794 -0.171 18953 9817 1 11 . 1 1 40 40 SER CB C 40 64.539 64.539 64.552 -0.013 18953 9818 1 11 . 1 1 40 40 SER H H 40 7.753 7.753 7.388 0.365 18953 9819 1 11 . 1 1 41 41 GLY N N 41 109.451 109.451 111.837 -2.386 18953 9820 1 11 . 1 1 41 41 GLY C C 41 179.855 179.855 172.550 7.305 18953 9821 1 11 . 1 1 41 41 GLY CA C 41 44.884 44.884 44.775 0.109 18953 9822 1 11 . 1 1 41 41 GLY H H 41 8.714 8.714 8.536 0.178 18953 9823 1 11 . 1 1 42 42 CYS N N 42 112.295 112.295 119.307 -7.012 18953 9824 1 11 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.387 -0.453 18953 9825 1 11 . 1 1 42 42 CYS C C 42 178.663 178.663 173.289 5.374 18953 9826 1 11 . 1 1 42 42 CYS CA C 42 56.877 56.877 56.997 -0.120 18953 9827 1 11 . 1 1 42 42 CYS CB C 42 31.679 31.679 30.185 1.494 18953 9828 1 11 . 1 1 42 42 CYS H H 42 7.794 7.794 8.515 -0.721 18953 9829 1 11 . 1 1 43 43 PHE N N 43 118.841 118.841 125.351 -6.510 18953 9830 1 11 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.845 0.279 18953 9831 1 11 . 1 1 43 43 PHE C C 43 178.045 178.045 172.961 5.084 18953 9832 1 11 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.046 -0.556 18953 9833 1 11 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.921 1.036 18953 9834 1 11 . 1 1 43 43 PHE H H 43 8.509 8.509 9.253 -0.744 18953 9835 1 11 . 1 1 44 44 MET N N 44 119.494 119.494 126.885 -7.391 18953 9836 1 11 . 1 1 44 44 MET HA H 44 5.442 5.442 5.109 0.333 18953 9837 1 11 . 1 1 44 44 MET C C 44 174.336 174.336 173.941 0.395 18953 9838 1 11 . 1 1 44 44 MET CA C 44 52.992 52.992 53.930 -0.938 18953 9839 1 11 . 1 1 44 44 MET CB C 44 33.835 33.835 35.206 -1.371 18953 9840 1 11 . 1 1 44 44 MET H H 44 9.110 9.110 8.330 0.780 18953 9841 1 11 . 1 1 45 45 VAL N N 45 117.666 117.666 121.880 -4.214 18953 9842 1 11 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.837 0.550 18953 9843 1 11 . 1 1 45 45 VAL C C 45 177.844 177.844 173.888 3.956 18953 9844 1 11 . 1 1 45 45 VAL CA C 45 59.633 59.633 60.029 -0.396 18953 9845 1 11 . 1 1 45 45 VAL CB C 45 34.280 34.280 34.154 0.126 18953 9846 1 11 . 1 1 45 45 VAL H H 45 9.345 9.345 8.853 0.492 18953 9847 1 11 . 1 1 46 46 TYR N N 46 117.876 117.876 123.903 -6.027 18953 9848 1 11 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.244 0.761 18953 9849 1 11 . 1 1 46 46 TYR C C 46 173.152 173.152 175.362 -2.210 18953 9850 1 11 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.387 -0.704 18953 9851 1 11 . 1 1 46 46 TYR CB C 46 41.025 41.025 41.991 -0.966 18953 9852 1 11 . 1 1 46 46 TYR H H 46 8.145 8.145 9.388 -1.243 18953 9853 1 11 . 1 1 47 47 ASP N N 47 119.783 119.783 123.418 -3.635 18953 9854 1 11 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.711 0.174 18953 9855 1 11 . 1 1 47 47 ASP C C 47 176.040 176.040 176.314 -0.274 18953 9856 1 11 . 1 1 47 47 ASP CA C 47 53.826 53.826 54.902 -1.076 18953 9857 1 11 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.767 -0.700 18953 9858 1 11 . 1 1 47 47 ASP H H 47 8.690 8.690 8.794 -0.104 18953 9859 1 11 . 1 1 48 48 ARG N N 48 116.008 116.008 118.007 -1.999 18953 9860 1 11 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.686 0.052 18953 9861 1 11 . 1 1 48 48 ARG C C 48 175.495 175.495 174.935 0.560 18953 9862 1 11 . 1 1 48 48 ARG CA C 48 54.345 54.345 53.897 0.448 18953 9863 1 11 . 1 1 48 48 ARG CB C 48 34.662 34.662 34.163 0.498 18953 9864 1 11 . 1 1 48 48 ARG H H 48 7.627 7.627 8.156 -0.529 18953 9865 1 11 . 1 1 49 49 THR N N 49 110.526 110.526 113.491 -2.965 18953 9866 1 11 . 1 1 49 49 THR HA H 49 3.790 3.790 4.134 -0.344 18953 9867 1 11 . 1 1 49 49 THR C C 49 176.951 176.951 174.282 2.669 18953 9868 1 11 . 1 1 49 49 THR CA C 49 62.112 62.112 62.813 -0.701 18953 9869 1 11 . 1 1 49 49 THR CB C 49 70.189 70.189 69.114 1.075 18953 9870 1 11 . 1 1 49 49 THR H H 49 8.173 8.173 8.319 -0.146 18953 9871 1 11 . 1 1 50 50 ASN N N 50 112.515 112.515 117.425 -4.910 18953 9872 1 11 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.615 -0.366 18953 9873 1 11 . 1 1 50 50 ASN C C 50 178.172 178.172 173.426 4.746 18953 9874 1 11 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.586 0.791 18953 9875 1 11 . 1 1 50 50 ASN CB C 50 36.907 36.907 36.510 0.397 18953 9876 1 11 . 1 1 50 50 ASN H H 50 9.654 9.654 8.142 1.512 18953 9877 1 11 . 1 1 51 51 PHE N N 51 110.557 110.557 109.005 1.552 18953 9878 1 11 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.804 -0.154 18953 9879 1 11 . 1 1 51 51 PHE C C 51 176.292 176.292 174.334 1.958 18953 9880 1 11 . 1 1 51 51 PHE CA C 51 55.668 55.668 57.867 -2.199 18953 9881 1 11 . 1 1 51 51 PHE CB C 51 35.932 35.932 34.976 0.956 18953 9882 1 11 . 1 1 51 51 PHE H H 51 7.568 7.568 7.370 0.198 18953 9883 1 11 . 1 1 52 52 MET N N 52 117.547 117.547 116.698 0.849 18953 9884 1 11 . 1 1 52 52 MET HA H 52 4.859 4.859 4.978 -0.119 18953 9885 1 11 . 1 1 52 52 MET C C 52 177.399 177.399 175.318 2.081 18953 9886 1 11 . 1 1 52 52 MET CA C 52 53.946 53.946 54.811 -0.865 18953 9887 1 11 . 1 1 52 52 MET CB C 52 35.335 35.335 37.346 -2.011 18953 9888 1 11 . 1 1 52 52 MET H H 52 6.355 6.355 7.549 -1.194 18953 9889 1 11 . 1 1 53 53 GLY N N 53 103.445 103.445 106.735 -3.290 18953 9890 1 11 . 1 1 53 53 GLY C C 53 175.327 175.327 173.739 1.588 18953 9891 1 11 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.690 -0.107 18953 9892 1 11 . 1 1 53 53 GLY H H 53 8.256 8.256 8.556 -0.300 18953 9893 1 11 . 1 1 54 54 ARG N N 54 124.195 124.195 121.918 2.277 18953 9894 1 11 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.053 0.110 18953 9895 1 11 . 1 1 54 54 ARG C C 54 177.235 177.235 175.863 1.372 18953 9896 1 11 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.293 -0.093 18953 9897 1 11 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.396 0.819 18953 9898 1 11 . 1 1 54 54 ARG H H 54 9.034 9.034 8.672 0.362 18953 9899 1 11 . 1 1 55 55 GLN N N 55 118.867 118.867 122.364 -3.497 18953 9900 1 11 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.754 0.265 18953 9901 1 11 . 1 1 55 55 GLN C C 55 176.166 176.166 174.967 1.199 18953 9902 1 11 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.559 -1.445 18953 9903 1 11 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.578 0.893 18953 9904 1 11 . 1 1 55 55 GLN H H 55 7.657 7.657 8.181 -0.524 18953 9905 1 11 . 1 1 56 56 TYR N N 56 117.323 117.323 122.465 -5.142 18953 9906 1 11 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.755 -0.305 18953 9907 1 11 . 1 1 56 56 TYR C C 56 177.276 177.276 174.280 2.996 18953 9908 1 11 . 1 1 56 56 TYR CA C 56 57.213 57.213 56.944 0.269 18953 9909 1 11 . 1 1 56 56 TYR CB C 56 41.560 41.560 41.922 -0.362 18953 9910 1 11 . 1 1 56 56 TYR H H 56 8.704 8.704 8.861 -0.157 18953 9911 1 11 . 1 1 57 57 PHE N N 57 125.557 125.557 123.230 2.327 18953 9912 1 11 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.959 0.258 18953 9913 1 11 . 1 1 57 57 PHE C C 57 176.412 176.412 174.214 2.198 18953 9914 1 11 . 1 1 57 57 PHE CA C 57 58.371 58.371 56.166 2.205 18953 9915 1 11 . 1 1 57 57 PHE CB C 57 40.989 40.989 39.430 1.559 18953 9916 1 11 . 1 1 57 57 PHE H H 57 8.600 8.600 8.580 0.020 18953 9917 1 11 . 1 1 58 58 LEU N N 58 129.141 129.141 126.232 2.909 18953 9918 1 11 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.352 0.003 18953 9919 1 11 . 1 1 58 58 LEU C C 58 177.356 177.356 175.828 1.528 18953 9920 1 11 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.596 0.253 18953 9921 1 11 . 1 1 58 58 LEU CB C 58 44.886 44.886 44.705 0.181 18953 9922 1 11 . 1 1 58 58 LEU H H 58 8.969 8.969 9.053 -0.084 18953 9923 1 11 . 1 1 59 59 ARG N N 59 118.569 118.569 121.318 -2.749 18953 9924 1 11 . 1 1 59 59 ARG HA H 59 4.563 4.563 5.018 -0.455 18953 9925 1 11 . 1 1 59 59 ARG C C 59 175.341 175.341 175.348 -0.007 18953 9926 1 11 . 1 1 59 59 ARG CA C 59 53.734 53.734 53.629 0.105 18953 9927 1 11 . 1 1 59 59 ARG CB C 59 32.396 32.396 33.243 -0.847 18953 9928 1 11 . 1 1 59 59 ARG H H 59 7.107 7.107 7.896 -0.789 18953 9929 1 11 . 1 1 60 60 ARG N N 60 121.635 121.635 123.268 -1.633 18953 9930 1 11 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.906 0.059 18953 9931 1 11 . 1 1 60 60 ARG C C 60 175.525 175.525 175.414 0.111 18953 9932 1 11 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.608 0.346 18953 9933 1 11 . 1 1 60 60 ARG CB C 60 30.890 30.890 30.066 0.824 18953 9934 1 11 . 1 1 60 60 ARG H H 60 8.258 8.258 8.152 0.106 18953 9935 1 11 . 1 1 61 61 GLY N N 61 112.955 112.955 114.216 -1.261 18953 9936 1 11 . 1 1 61 61 GLY C C 61 180.518 180.518 171.716 8.802 18953 9937 1 11 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.737 -0.059 18953 9938 1 11 . 1 1 61 61 GLY H H 61 8.706 8.706 8.047 0.659 18953 9939 1 11 . 1 1 62 62 GLU N N 62 117.563 117.563 120.063 -2.500 18953 9940 1 11 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.560 -0.011 18953 9941 1 11 . 1 1 62 62 GLU C C 62 176.249 176.249 175.242 1.007 18953 9942 1 11 . 1 1 62 62 GLU CA C 62 55.813 55.813 54.279 1.534 18953 9943 1 11 . 1 1 62 62 GLU CB C 62 32.844 32.844 30.864 1.980 18953 9944 1 11 . 1 1 62 62 GLU H H 62 8.161 8.161 8.253 -0.092 18953 9945 1 11 . 1 1 63 63 TYR N N 63 119.057 119.057 125.065 -6.008 18953 9946 1 11 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.914 0.262 18953 9947 1 11 . 1 1 63 63 TYR CA C 63 55.273 55.273 55.908 -0.635 18953 9948 1 11 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.587 -1.539 18953 9949 1 11 . 1 1 63 63 TYR H H 63 8.827 8.827 8.709 0.118 18953 9950 1 11 . 1 1 64 64 PRO HA H 64 3.684 3.684 3.924 -0.240 18953 9951 1 11 . 1 1 64 64 PRO CA C 64 64.970 64.970 63.707 1.263 18953 9952 1 11 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.208 -0.073 18953 9953 1 11 . 1 1 65 65 ASP N N 65 118.810 118.810 114.442 4.368 18953 9954 1 11 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.138 -0.091 18953 9955 1 11 . 1 1 65 65 ASP C C 65 174.175 174.175 175.130 -0.955 18953 9956 1 11 . 1 1 65 65 ASP CA C 65 53.574 53.574 52.484 1.090 18953 9957 1 11 . 1 1 65 65 ASP CB C 65 39.805 39.805 42.679 -2.874 18953 9958 1 11 . 1 1 65 65 ASP H H 65 8.600 8.600 7.678 0.922 18953 9959 1 11 . 1 1 66 66 TYR N N 66 119.662 119.662 118.353 1.309 18953 9960 1 11 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.810 -0.409 18953 9961 1 11 . 1 1 66 66 TYR C C 66 175.431 175.431 174.175 1.256 18953 9962 1 11 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.702 3.272 18953 9963 1 11 . 1 1 66 66 TYR CB C 66 38.024 38.024 39.272 -1.248 18953 9964 1 11 . 1 1 66 66 TYR H H 66 6.530 6.530 7.903 -1.373 18953 9965 1 11 . 1 1 67 67 MET N N 67 121.502 121.502 119.941 1.561 18953 9966 1 11 . 1 1 67 67 MET HA H 67 3.626 3.626 4.165 -0.539 18953 9967 1 11 . 1 1 67 67 MET C C 67 172.742 172.742 177.143 -4.401 18953 9968 1 11 . 1 1 67 67 MET CA C 67 59.998 59.998 56.636 3.362 18953 9969 1 11 . 1 1 67 67 MET CB C 67 32.064 32.064 33.285 -1.221 18953 9970 1 11 . 1 1 67 67 MET H H 67 8.299 8.299 7.976 0.323 18953 9971 1 11 . 1 1 68 68 ARG N N 68 116.824 116.824 115.202 1.622 18953 9972 1 11 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.357 -0.202 18953 9973 1 11 . 1 1 68 68 ARG C C 68 171.982 171.982 176.686 -4.704 18953 9974 1 11 . 1 1 68 68 ARG CA C 68 58.600 58.600 57.941 0.659 18953 9975 1 11 . 1 1 68 68 ARG CB C 68 31.056 31.056 29.184 1.872 18953 9976 1 11 . 1 1 68 68 ARG H H 68 6.919 6.919 8.309 -1.390 18953 9977 1 11 . 1 1 69 69 THR N N 69 111.292 111.292 113.910 -2.618 18953 9978 1 11 . 1 1 69 69 THR HA H 69 4.101 4.101 4.179 -0.078 18953 9979 1 11 . 1 1 69 69 THR C C 69 174.584 174.584 175.424 -0.840 18953 9980 1 11 . 1 1 69 69 THR CA C 69 65.512 65.512 64.269 1.243 18953 9981 1 11 . 1 1 69 69 THR CB C 69 68.821 68.821 68.851 -0.030 18953 9982 1 11 . 1 1 69 69 THR H H 69 8.020 8.020 7.973 0.047 18953 9983 1 11 . 1 1 70 70 MET N N 70 117.481 117.481 118.227 -0.746 18953 9984 1 11 . 1 1 70 70 MET HA H 70 4.496 4.496 4.454 0.042 18953 9985 1 11 . 1 1 70 70 MET C C 70 175.015 175.015 176.362 -1.347 18953 9986 1 11 . 1 1 70 70 MET CA C 70 56.029 56.029 56.095 -0.066 18953 9987 1 11 . 1 1 70 70 MET CB C 70 33.013 33.013 33.786 -0.773 18953 9988 1 11 . 1 1 70 70 MET H H 70 8.315 8.315 7.605 0.710 18953 9989 1 11 . 1 1 71 71 GLY N N 71 108.537 108.537 108.087 0.450 18953 9990 1 11 . 1 1 71 71 GLY C C 71 176.534 176.534 173.375 3.159 18953 9991 1 11 . 1 1 71 71 GLY CA C 71 47.209 47.209 44.886 2.323 18953 9992 1 11 . 1 1 71 71 GLY H H 71 7.352 7.352 7.751 -0.399 18953 9993 1 11 . 1 1 72 72 MET N N 72 118.363 118.363 117.898 0.465 18953 9994 1 11 . 1 1 72 72 MET HA H 72 4.375 4.375 4.782 -0.407 18953 9995 1 11 . 1 1 72 72 MET C C 72 176.034 176.034 175.851 0.183 18953 9996 1 11 . 1 1 72 72 MET CA C 72 55.884 55.884 54.151 1.733 18953 9997 1 11 . 1 1 72 72 MET CB C 72 35.756 35.756 34.722 1.034 18953 9998 1 11 . 1 1 72 72 MET H H 72 7.888 7.888 7.554 0.334 18953 9999 1 11 . 1 1 73 73 ASN N N 73 119.052 119.052 121.371 -2.319 18953 10000 1 11 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.904 -0.183 18953 10001 1 11 . 1 1 73 73 ASN C C 73 177.307 177.307 174.039 3.268 18953 10002 1 11 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.961 0.905 18953 10003 1 11 . 1 1 73 73 ASN CB C 73 39.872 39.872 38.573 1.299 18953 10004 1 11 . 1 1 73 73 ASN H H 73 8.956 8.956 8.692 0.264 18953 10005 1 11 . 1 1 74 74 ASP N N 74 118.536 118.536 116.400 2.136 18953 10006 1 11 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.705 0.171 18953 10007 1 11 . 1 1 74 74 ASP C C 74 177.595 177.595 174.380 3.215 18953 10008 1 11 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.761 -1.215 18953 10009 1 11 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.956 2.087 18953 10010 1 11 . 1 1 74 74 ASP H H 74 7.831 7.831 7.476 0.355 18953 10011 1 11 . 1 1 75 75 CYS N N 75 116.378 116.378 116.654 -0.276 18953 10012 1 11 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.155 -0.494 18953 10013 1 11 . 1 1 75 75 CYS C C 75 177.301 177.301 175.078 2.223 18953 10014 1 11 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.789 1.283 18953 10015 1 11 . 1 1 75 75 CYS CB C 75 29.613 29.613 30.386 -0.773 18953 10016 1 11 . 1 1 75 75 CYS H H 75 8.527 8.527 8.604 -0.077 18953 10017 1 11 . 1 1 76 76 VAL N N 76 116.516 116.516 118.928 -2.412 18953 10018 1 11 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.157 -0.247 18953 10019 1 11 . 1 1 76 76 VAL C C 76 175.906 175.906 176.099 -0.193 18953 10020 1 11 . 1 1 76 76 VAL CA C 76 63.823 63.823 62.939 0.884 18953 10021 1 11 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.187 0.519 18953 10022 1 11 . 1 1 76 76 VAL H H 76 7.296 7.296 8.339 -1.043 18953 10023 1 11 . 1 1 77 77 ARG N N 77 120.435 120.435 122.092 -1.657 18953 10024 1 11 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.557 -0.177 18953 10025 1 11 . 1 1 77 77 ARG C C 77 175.519 175.519 176.253 -0.734 18953 10026 1 11 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.343 -0.934 18953 10027 1 11 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.276 1.936 18953 10028 1 11 . 1 1 77 77 ARG H H 77 8.923 8.923 8.729 0.194 18953 10029 1 11 . 1 1 78 78 SER N N 78 110.315 110.315 114.206 -3.891 18953 10030 1 11 . 1 1 78 78 SER HA H 78 4.533 4.533 5.456 -0.923 18953 10031 1 11 . 1 1 78 78 SER C C 78 177.603 177.603 172.580 5.023 18953 10032 1 11 . 1 1 78 78 SER CA C 78 59.512 59.512 56.898 2.614 18953 10033 1 11 . 1 1 78 78 SER CB C 78 65.883 65.883 66.174 -0.291 18953 10034 1 11 . 1 1 78 78 SER H H 78 8.100 8.100 8.075 0.025 18953 10035 1 11 . 1 1 79 79 CYS N N 79 112.901 112.901 117.578 -4.677 18953 10036 1 11 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.499 0.818 18953 10037 1 11 . 1 1 79 79 CYS C C 79 179.601 179.601 172.383 7.218 18953 10038 1 11 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.209 -0.730 18953 10039 1 11 . 1 1 79 79 CYS CB C 79 32.350 32.350 31.753 0.597 18953 10040 1 11 . 1 1 79 79 CYS H H 79 9.438 9.438 9.203 0.235 18953 10041 1 11 . 1 1 80 80 ARG N N 80 122.877 122.877 123.557 -0.680 18953 10042 1 11 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.892 0.135 18953 10043 1 11 . 1 1 80 80 ARG C C 80 176.888 176.888 173.770 3.118 18953 10044 1 11 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.561 0.125 18953 10045 1 11 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.870 -0.184 18953 10046 1 11 . 1 1 80 80 ARG H H 80 10.005 10.005 9.168 0.837 18953 10047 1 11 . 1 1 81 81 MET N N 81 125.699 125.699 124.972 0.727 18953 10048 1 11 . 1 1 81 81 MET HA H 81 3.494 3.494 4.614 -1.120 18953 10049 1 11 . 1 1 81 81 MET C C 81 176.369 176.369 174.782 1.587 18953 10050 1 11 . 1 1 81 81 MET CA C 81 55.587 55.587 54.868 0.719 18953 10051 1 11 . 1 1 81 81 MET CB C 81 34.241 34.241 35.585 -1.344 18953 10052 1 11 . 1 1 81 81 MET H H 81 9.198 9.198 9.634 -0.436 18953 10053 1 11 . 1 1 82 82 ILE N N 82 131.119 131.119 127.620 3.499 18953 10054 1 11 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.287 -0.253 18953 10055 1 11 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.215 0.635 18953 10056 1 11 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.589 0.604 18953 10057 1 11 . 1 1 82 82 ILE H H 82 7.744 7.744 8.464 -0.720 18953 10058 1 11 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.243 -0.042 18953 10059 1 11 . 1 1 83 83 PRO C C 83 176.434 176.434 176.521 -0.087 18953 10060 1 11 . 1 1 83 83 PRO CA C 83 62.426 62.426 63.092 -0.666 18953 10061 1 11 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.340 0.054 18953 10062 1 11 . 1 1 84 84 LEU N N 84 120.509 120.509 124.467 -3.958 18953 10063 1 11 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.268 -0.028 18953 10064 1 11 . 1 1 84 84 LEU C C 84 174.899 174.899 175.634 -0.735 18953 10065 1 11 . 1 1 84 84 LEU CA C 84 54.527 54.527 53.929 0.598 18953 10066 1 11 . 1 1 84 84 LEU CB C 84 41.560 41.560 40.424 1.136 18953 10067 1 11 . 1 1 84 84 LEU H H 84 7.873 7.873 8.218 -0.345 18953 10068 1 11 . 1 1 85 85 HIS N N 85 125.245 125.245 119.077 6.168 18953 10069 1 11 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.693 -0.109 18953 10070 1 11 . 1 1 85 85 HIS CA C 85 56.167 56.167 54.912 1.255 18953 10071 1 11 . 1 1 85 85 HIS CB C 85 32.644 32.644 31.384 1.260 18953 10072 1 11 . 1 1 85 85 HIS H H 85 8.600 8.600 7.602 0.998 18953 10073 1 11 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.595 0.166 18953 10074 1 11 . 1 1 86 86 HIS C C 86 177.250 177.250 174.682 2.568 18953 10075 1 11 . 1 1 86 86 HIS CA C 86 54.709 54.709 55.470 -0.761 18953 10076 1 11 . 1 1 86 86 HIS CB C 86 29.670 29.670 30.093 -0.423 18953 10077 1 11 . 1 1 86 86 HIS H H 86 8.500 8.500 8.817 -0.317 18953 10078 1 11 . 1 1 87 87 GLY N N 87 107.909 107.909 110.367 -2.458 18953 10079 1 11 . 1 1 87 87 GLY C C 87 178.627 178.627 174.001 4.626 18953 10080 1 11 . 1 1 87 87 GLY CA C 87 44.861 44.861 44.785 0.076 18953 10081 1 11 . 1 1 87 87 GLY H H 87 6.662 6.662 8.443 -1.781 18953 10082 1 11 . 1 1 88 88 SER N N 88 116.742 116.742 116.362 0.380 18953 10083 1 11 . 1 1 88 88 SER HA H 88 4.528 4.528 4.730 -0.202 18953 10084 1 11 . 1 1 88 88 SER C C 88 178.527 178.527 173.068 5.459 18953 10085 1 11 . 1 1 88 88 SER CA C 88 58.279 58.279 57.634 0.645 18953 10086 1 11 . 1 1 88 88 SER CB C 88 64.360 64.360 65.690 -1.330 18953 10087 1 11 . 1 1 88 88 SER H H 88 8.235 8.235 8.001 0.234 18953 10088 1 11 . 1 1 89 89 PHE N N 89 119.985 119.985 122.933 -2.948 18953 10089 1 11 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.133 -0.565 18953 10090 1 11 . 1 1 89 89 PHE C C 89 176.551 176.551 175.484 1.067 18953 10091 1 11 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.431 -0.696 18953 10092 1 11 . 1 1 89 89 PHE CB C 89 41.321 41.321 41.798 -0.477 18953 10093 1 11 . 1 1 89 89 PHE H H 89 8.478 8.478 8.735 -0.257 18953 10094 1 11 . 1 1 90 90 LYS N N 90 122.179 122.179 127.500 -5.321 18953 10095 1 11 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.833 0.323 18953 10096 1 11 . 1 1 90 90 LYS C C 90 177.501 177.501 173.768 3.733 18953 10097 1 11 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.688 1.124 18953 10098 1 11 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.408 -0.707 18953 10099 1 11 . 1 1 90 90 LYS H H 90 9.130 9.130 8.825 0.305 18953 10100 1 11 . 1 1 91 91 MET N N 91 127.037 127.037 126.545 0.492 18953 10101 1 11 . 1 1 91 91 MET HA H 91 4.835 4.835 4.800 0.035 18953 10102 1 11 . 1 1 91 91 MET C C 91 179.276 179.276 174.060 5.216 18953 10103 1 11 . 1 1 91 91 MET CA C 91 54.527 54.527 53.883 0.644 18953 10104 1 11 . 1 1 91 91 MET CB C 91 36.920 36.920 36.003 0.917 18953 10105 1 11 . 1 1 91 91 MET H H 91 9.202 9.202 8.870 0.332 18953 10106 1 11 . 1 1 92 92 ARG N N 92 121.520 121.520 126.323 -4.803 18953 10107 1 11 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.540 0.328 18953 10108 1 11 . 1 1 92 92 ARG C C 92 177.432 177.432 174.828 2.604 18953 10109 1 11 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.420 -0.422 18953 10110 1 11 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.742 2.743 18953 10111 1 11 . 1 1 92 92 ARG H H 92 8.776 8.776 9.070 -0.294 18953 10112 1 11 . 1 1 93 93 LEU N N 93 124.749 124.749 124.916 -0.167 18953 10113 1 11 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.532 -0.257 18953 10114 1 11 . 1 1 93 93 LEU C C 93 176.662 176.662 175.500 1.162 18953 10115 1 11 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.750 -0.054 18953 10116 1 11 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.595 0.295 18953 10117 1 11 . 1 1 93 93 LEU H H 93 8.841 8.841 8.690 0.151 18953 10118 1 11 . 1 1 94 94 TYR N N 94 116.673 116.673 121.173 -4.500 18953 10119 1 11 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.933 0.491 18953 10120 1 11 . 1 1 94 94 TYR C C 94 175.232 175.232 175.570 -0.338 18953 10121 1 11 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.177 -0.116 18953 10122 1 11 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.824 -1.461 18953 10123 1 11 . 1 1 94 94 TYR H H 94 8.161 8.161 9.026 -0.865 18953 10124 1 11 . 1 1 95 95 GLU N N 95 121.556 121.556 123.600 -2.044 18953 10125 1 11 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.306 -0.272 18953 10126 1 11 . 1 1 95 95 GLU C C 95 174.587 174.587 176.601 -2.014 18953 10127 1 11 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.557 0.403 18953 10128 1 11 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.284 3.240 18953 10129 1 11 . 1 1 95 95 GLU H H 95 8.537 8.537 8.473 0.064 18953 10130 1 11 . 1 1 96 96 HIS N N 96 113.214 113.214 117.024 -3.810 18953 10131 1 11 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.780 0.526 18953 10132 1 11 . 1 1 96 96 HIS C C 96 175.830 175.830 175.776 0.054 18953 10133 1 11 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.934 -0.788 18953 10134 1 11 . 1 1 96 96 HIS CB C 96 33.364 33.364 31.859 1.505 18953 10135 1 11 . 1 1 96 96 HIS H H 96 8.154 8.154 7.676 0.478 18953 10136 1 11 . 1 1 97 97 SER N N 97 115.997 115.997 116.529 -0.532 18953 10137 1 11 . 1 1 97 97 SER HA H 97 4.196 4.196 4.629 -0.433 18953 10138 1 11 . 1 1 97 97 SER C C 97 177.588 177.588 174.729 2.859 18953 10139 1 11 . 1 1 97 97 SER CA C 97 59.180 59.180 60.559 -1.379 18953 10140 1 11 . 1 1 97 97 SER CB C 97 63.740 63.740 63.777 -0.037 18953 10141 1 11 . 1 1 97 97 SER H H 97 8.728 8.728 8.623 0.105 18953 10142 1 11 . 1 1 98 98 ASP N N 98 116.560 116.560 120.925 -4.365 18953 10143 1 11 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.260 -0.295 18953 10144 1 11 . 1 1 98 98 ASP C C 98 176.991 176.991 175.710 1.281 18953 10145 1 11 . 1 1 98 98 ASP CA C 98 56.873 56.873 56.959 -0.086 18953 10146 1 11 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.585 -0.071 18953 10147 1 11 . 1 1 98 98 ASP H H 98 9.714 9.714 8.654 1.060 18953 10148 1 11 . 1 1 99 99 MET N N 99 112.109 112.109 119.778 -7.669 18953 10149 1 11 . 1 1 99 99 MET HA H 99 2.689 2.689 3.954 -1.265 18953 10150 1 11 . 1 1 99 99 MET C C 99 176.133 176.133 174.780 1.353 18953 10151 1 11 . 1 1 99 99 MET CA C 99 56.596 56.596 55.022 1.574 18953 10152 1 11 . 1 1 99 99 MET CB C 99 27.203 27.203 34.101 -6.898 18953 10153 1 11 . 1 1 99 99 MET H H 99 8.425 8.425 7.874 0.551 18953 10154 1 11 . 1 1 100 100 GLY N N 100 104.572 104.572 107.572 -3.000 18953 10155 1 11 . 1 1 100 100 GLY C C 100 177.855 177.855 174.233 3.622 18953 10156 1 11 . 1 1 100 100 GLY CA C 100 44.345 44.345 43.769 0.577 18953 10157 1 11 . 1 1 100 100 GLY H H 100 6.670 6.670 7.559 -0.889 18953 10158 1 11 . 1 1 101 101 GLY N N 101 105.792 105.792 107.938 -2.146 18953 10159 1 11 . 1 1 101 101 GLY C C 101 177.525 177.525 173.913 3.612 18953 10160 1 11 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.336 0.770 18953 10161 1 11 . 1 1 101 101 GLY H H 101 8.446 8.446 8.102 0.344 18953 10162 1 11 . 1 1 102 102 ARG N N 102 121.688 121.688 122.052 -0.364 18953 10163 1 11 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.379 -0.381 18953 10164 1 11 . 1 1 102 102 ARG C C 102 177.803 177.803 176.123 1.680 18953 10165 1 11 . 1 1 102 102 ARG CA C 102 58.368 58.368 55.352 3.016 18953 10166 1 11 . 1 1 102 102 ARG CB C 102 31.684 31.684 31.234 0.450 18953 10167 1 11 . 1 1 102 102 ARG H H 102 8.785 8.785 8.094 0.691 18953 10168 1 11 . 1 1 103 103 MET N N 103 122.371 122.371 121.504 0.867 18953 10169 1 11 . 1 1 103 103 MET HA H 103 4.754 4.754 4.871 -0.117 18953 10170 1 11 . 1 1 103 103 MET C C 103 175.490 175.490 175.197 0.293 18953 10171 1 11 . 1 1 103 103 MET CA C 103 53.993 53.993 54.336 -0.343 18953 10172 1 11 . 1 1 103 103 MET CB C 103 34.860 34.860 33.190 1.670 18953 10173 1 11 . 1 1 103 103 MET H H 103 7.905 7.905 8.362 -0.457 18953 10174 1 11 . 1 1 104 104 MET N N 104 127.629 127.629 123.416 4.213 18953 10175 1 11 . 1 1 104 104 MET HA H 104 4.318 4.318 4.474 -0.156 18953 10176 1 11 . 1 1 104 104 MET C C 104 177.870 177.870 174.611 3.259 18953 10177 1 11 . 1 1 104 104 MET CA C 104 54.080 54.080 54.485 -0.405 18953 10178 1 11 . 1 1 104 104 MET CB C 104 35.315 35.315 35.358 -0.043 18953 10179 1 11 . 1 1 104 104 MET H H 104 8.796 8.796 8.217 0.579 18953 10180 1 11 . 1 1 105 105 GLU N N 105 123.753 123.753 122.519 1.234 18953 10181 1 11 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.870 -0.024 18953 10182 1 11 . 1 1 105 105 GLU C C 105 176.871 176.871 175.522 1.349 18953 10183 1 11 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.418 0.270 18953 10184 1 11 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.478 2.037 18953 10185 1 11 . 1 1 105 105 GLU H H 105 8.467 8.467 8.386 0.081 18953 10186 1 11 . 1 1 106 106 LEU N N 106 125.076 125.076 125.934 -0.858 18953 10187 1 11 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.891 -0.003 18953 10188 1 11 . 1 1 106 106 LEU C C 106 175.666 175.666 175.286 0.380 18953 10189 1 11 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.801 0.099 18953 10190 1 11 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.858 1.939 18953 10191 1 11 . 1 1 106 106 LEU H H 106 8.933 8.933 8.820 0.113 18953 10192 1 11 . 1 1 107 107 MET N N 107 120.889 120.889 124.206 -3.317 18953 10193 1 11 . 1 1 107 107 MET HA H 107 5.152 5.152 4.747 0.405 18953 10194 1 11 . 1 1 107 107 MET C C 107 177.873 177.873 174.958 2.915 18953 10195 1 11 . 1 1 107 107 MET CA C 107 55.430 55.430 56.352 -0.922 18953 10196 1 11 . 1 1 107 107 MET CB C 107 35.107 35.107 33.961 1.146 18953 10197 1 11 . 1 1 107 107 MET H H 107 9.099 9.099 8.793 0.306 18953 10198 1 11 . 1 1 108 108 ASP N N 108 120.261 120.261 118.604 1.657 18953 10199 1 11 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.762 -0.313 18953 10200 1 11 . 1 1 108 108 ASP C C 108 178.998 178.998 175.115 3.883 18953 10201 1 11 . 1 1 108 108 ASP CA C 108 51.953 51.953 51.964 -0.011 18953 10202 1 11 . 1 1 108 108 ASP CB C 108 43.335 43.335 41.962 1.373 18953 10203 1 11 . 1 1 108 108 ASP H H 108 7.874 7.874 7.846 0.028 18953 10204 1 11 . 1 1 109 109 ASP N N 109 115.191 115.191 119.065 -3.874 18953 10205 1 11 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.816 0.022 18953 10206 1 11 . 1 1 109 109 ASP C C 109 174.768 174.768 175.835 -1.067 18953 10207 1 11 . 1 1 109 109 ASP CA C 109 55.106 55.106 53.989 1.117 18953 10208 1 11 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.690 -0.632 18953 10209 1 11 . 1 1 109 109 ASP H H 109 8.065 8.065 8.427 -0.362 18953 10210 1 11 . 1 1 110 110 CYS N N 110 120.716 120.716 123.174 -2.458 18953 10211 1 11 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.848 0.291 18953 10212 1 11 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.505 0.312 18953 10213 1 11 . 1 1 110 110 CYS CB C 110 29.730 29.730 29.532 0.198 18953 10214 1 11 . 1 1 110 110 CYS H H 110 9.583 9.583 8.660 0.923 18953 10215 1 11 . 1 1 111 111 PRO HA H 111 3.971 3.971 4.054 -0.083 18953 10216 1 11 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.164 -0.020 18953 10217 1 11 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.192 -0.283 18953 10218 1 11 . 1 1 112 112 ASN N N 112 116.300 116.300 115.894 0.406 18953 10219 1 11 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.823 -0.048 18953 10220 1 11 . 1 1 112 112 ASN C C 112 175.948 175.948 175.274 0.674 18953 10221 1 11 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.281 1.840 18953 10222 1 11 . 1 1 112 112 ASN CB C 112 38.709 38.709 39.218 -0.509 18953 10223 1 11 . 1 1 112 112 ASN H H 112 7.385 7.385 7.819 -0.434 18953 10224 1 11 . 1 1 113 113 LEU N N 113 129.895 129.895 123.157 6.738 18953 10225 1 11 . 1 1 113 113 LEU HA H 113 4.157 4.157 3.800 0.357 18953 10226 1 11 . 1 1 113 113 LEU C C 113 173.709 173.709 178.182 -4.473 18953 10227 1 11 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.862 1.027 18953 10228 1 11 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.289 0.162 18953 10229 1 11 . 1 1 113 113 LEU H H 113 8.154 8.154 8.378 -0.224 18953 10230 1 11 . 1 1 114 114 MET N N 114 120.939 120.939 118.014 2.925 18953 10231 1 11 . 1 1 114 114 MET HA H 114 4.204 4.204 4.040 0.164 18953 10232 1 11 . 1 1 114 114 MET C C 114 171.942 171.942 177.555 -5.613 18953 10233 1 11 . 1 1 114 114 MET CA C 114 58.354 58.354 58.416 -0.062 18953 10234 1 11 . 1 1 114 114 MET CB C 114 31.118 31.118 32.167 -1.049 18953 10235 1 11 . 1 1 114 114 MET H H 114 8.421 8.421 8.024 0.397 18953 10236 1 11 . 1 1 115 115 ASP N N 115 119.204 119.204 117.399 1.805 18953 10237 1 11 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.501 -0.228 18953 10238 1 11 . 1 1 115 115 ASP C C 115 174.228 174.228 177.556 -3.328 18953 10239 1 11 . 1 1 115 115 ASP CA C 115 56.737 56.737 56.015 0.722 18953 10240 1 11 . 1 1 115 115 ASP CB C 115 40.621 40.621 41.090 -0.469 18953 10241 1 11 . 1 1 115 115 ASP H H 115 7.695 7.695 7.617 0.078 18953 10242 1 11 . 1 1 116 116 ARG N N 116 116.937 116.937 118.976 -2.039 18953 10243 1 11 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.153 -0.095 18953 10244 1 11 . 1 1 116 116 ARG C C 116 174.084 174.084 177.904 -3.820 18953 10245 1 11 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.191 -0.352 18953 10246 1 11 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.303 1.796 18953 10247 1 11 . 1 1 116 116 ARG H H 116 7.118 7.118 7.321 -0.203 18953 10248 1 11 . 1 1 117 117 PHE N N 117 113.914 113.914 116.886 -2.972 18953 10249 1 11 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.758 0.367 18953 10250 1 11 . 1 1 117 117 PHE C C 117 175.681 175.681 175.206 0.475 18953 10251 1 11 . 1 1 117 117 PHE CA C 117 57.040 57.040 56.447 0.593 18953 10252 1 11 . 1 1 117 117 PHE CB C 117 41.881 41.881 38.527 3.354 18953 10253 1 11 . 1 1 117 117 PHE H H 117 8.641 8.641 7.493 1.148 18953 10254 1 11 . 1 1 118 118 ASN N N 118 117.137 117.137 114.494 2.643 18953 10255 1 11 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.544 0.302 18953 10256 1 11 . 1 1 118 118 ASN C C 118 177.553 177.553 174.796 2.757 18953 10257 1 11 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.515 0.523 18953 10258 1 11 . 1 1 118 118 ASN CB C 118 38.049 38.049 36.229 1.820 18953 10259 1 11 . 1 1 118 118 ASN H H 118 8.478 8.478 8.030 0.448 18953 10260 1 11 . 1 1 119 119 MET N N 119 114.316 114.316 118.037 -3.721 18953 10261 1 11 . 1 1 119 119 MET HA H 119 4.386 4.386 4.690 -0.304 18953 10262 1 11 . 1 1 119 119 MET C C 119 178.321 178.321 173.713 4.608 18953 10263 1 11 . 1 1 119 119 MET CA C 119 55.950 55.950 54.794 1.156 18953 10264 1 11 . 1 1 119 119 MET CB C 119 37.233 37.233 34.670 2.563 18953 10265 1 11 . 1 1 119 119 MET H H 119 7.286 7.286 7.291 -0.005 18953 10266 1 11 . 1 1 120 120 SER N N 120 111.310 111.310 118.314 -7.004 18953 10267 1 11 . 1 1 120 120 SER HA H 120 4.682 4.682 4.932 -0.250 18953 10268 1 11 . 1 1 120 120 SER C C 120 179.047 179.047 172.805 6.242 18953 10269 1 11 . 1 1 120 120 SER CA C 120 57.435 57.435 58.023 -0.588 18953 10270 1 11 . 1 1 120 120 SER CB C 120 65.594 65.594 64.578 1.016 18953 10271 1 11 . 1 1 120 120 SER H H 120 8.361 8.361 8.351 0.010 18953 10272 1 11 . 1 1 121 121 ASP N N 121 120.422 120.422 121.698 -1.276 18953 10273 1 11 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.791 -0.709 18953 10274 1 11 . 1 1 121 121 ASP C C 121 177.532 177.532 175.053 2.479 18953 10275 1 11 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.448 0.182 18953 10276 1 11 . 1 1 121 121 ASP CB C 121 43.513 43.513 43.175 0.338 18953 10277 1 11 . 1 1 121 121 ASP H H 121 6.829 6.829 7.414 -0.585 18953 10278 1 11 . 1 1 122 122 PHE N N 122 120.611 120.611 121.207 -0.596 18953 10279 1 11 . 1 1 122 122 PHE HA H 122 4.695 4.695 5.148 -0.453 18953 10280 1 11 . 1 1 122 122 PHE C C 122 177.316 177.316 176.015 1.301 18953 10281 1 11 . 1 1 122 122 PHE CA C 122 57.660 57.660 55.997 1.663 18953 10282 1 11 . 1 1 122 122 PHE CB C 122 40.871 40.871 41.072 -0.201 18953 10283 1 11 . 1 1 122 122 PHE H H 122 8.376 8.376 8.699 -0.323 18953 10284 1 11 . 1 1 123 123 HIS N N 123 116.193 116.193 120.737 -4.544 18953 10285 1 11 . 1 1 123 123 HIS HA H 123 4.765 4.765 4.939 -0.174 18953 10286 1 11 . 1 1 123 123 HIS C C 123 176.431 176.431 174.857 1.574 18953 10287 1 11 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.765 0.839 18953 10288 1 11 . 1 1 123 123 HIS CB C 123 33.280 33.280 30.966 2.314 18953 10289 1 11 . 1 1 123 123 HIS H H 123 7.577 7.577 9.330 -1.753 18953 10290 1 11 . 1 1 124 124 SER N N 124 107.332 107.332 112.747 -5.415 18953 10291 1 11 . 1 1 124 124 SER HA H 124 4.698 4.698 5.106 -0.408 18953 10292 1 11 . 1 1 124 124 SER C C 124 178.179 178.179 172.565 5.614 18953 10293 1 11 . 1 1 124 124 SER CA C 124 59.556 59.556 57.812 1.744 18953 10294 1 11 . 1 1 124 124 SER CB C 124 65.667 65.667 64.806 0.861 18953 10295 1 11 . 1 1 124 124 SER H H 124 8.256 8.256 8.402 -0.146 18953 10296 1 11 . 1 1 125 125 CYS N N 125 113.874 113.874 122.701 -8.827 18953 10297 1 11 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.465 0.086 18953 10298 1 11 . 1 1 125 125 CYS C C 125 179.655 179.655 172.637 7.018 18953 10299 1 11 . 1 1 125 125 CYS CA C 125 57.871 57.871 57.961 -0.090 18953 10300 1 11 . 1 1 125 125 CYS CB C 125 30.586 30.586 31.073 -0.487 18953 10301 1 11 . 1 1 125 125 CYS H H 125 9.561 9.561 8.772 0.789 18953 10302 1 11 . 1 1 126 126 HIS N N 126 124.829 124.829 122.703 2.126 18953 10303 1 11 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.397 0.084 18953 10304 1 11 . 1 1 126 126 HIS C C 126 176.575 176.575 172.463 4.112 18953 10305 1 11 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.305 -1.998 18953 10306 1 11 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.947 1.176 18953 10307 1 11 . 1 1 126 126 HIS H H 126 9.858 9.858 9.098 0.760 18953 10308 1 11 . 1 1 127 127 VAL N N 127 128.620 128.620 125.669 2.951 18953 10309 1 11 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.082 -0.208 18953 10310 1 11 . 1 1 127 127 VAL C C 127 176.660 176.660 174.392 2.268 18953 10311 1 11 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.293 2.192 18953 10312 1 11 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.219 -2.220 18953 10313 1 11 . 1 1 127 127 VAL H H 127 9.408 9.408 8.129 1.279 18953 10314 1 11 . 1 1 128 128 MET N N 128 129.466 129.466 127.262 2.204 18953 10315 1 11 . 1 1 128 128 MET HA H 128 3.930 3.930 4.367 -0.437 18953 10316 1 11 . 1 1 128 128 MET C C 128 176.093 176.093 175.697 0.396 18953 10317 1 11 . 1 1 128 128 MET CA C 128 58.109 58.109 57.014 1.095 18953 10318 1 11 . 1 1 128 128 MET CB C 128 34.019 34.019 33.444 0.575 18953 10319 1 11 . 1 1 128 128 MET H H 128 7.906 7.906 8.448 -0.542 18953 10320 1 11 . 1 1 129 129 ASP N N 129 116.435 116.435 115.753 0.682 18953 10321 1 11 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.597 0.235 18953 10322 1 11 . 1 1 129 129 ASP C C 129 174.959 174.959 174.532 0.427 18953 10323 1 11 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.163 0.017 18953 10324 1 11 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.710 2.421 18953 10325 1 11 . 1 1 129 129 ASP H H 129 8.349 8.349 7.605 0.744 18953 10326 1 11 . 1 1 130 130 GLY N N 130 113.062 113.062 107.439 5.623 18953 10327 1 11 . 1 1 130 130 GLY C C 130 183.642 183.642 172.325 11.317 18953 10328 1 11 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.461 0.011 18953 10329 1 11 . 1 1 130 130 GLY H H 130 8.479 8.479 8.357 0.122 18953 10330 1 11 . 1 1 131 131 HIS N N 131 114.389 114.389 118.405 -4.016 18953 10331 1 11 . 1 1 131 131 HIS HA H 131 5.002 5.002 5.190 -0.188 18953 10332 1 11 . 1 1 131 131 HIS C C 131 176.470 176.470 173.911 2.559 18953 10333 1 11 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.361 0.957 18953 10334 1 11 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.822 1.213 18953 10335 1 11 . 1 1 131 131 HIS H H 131 6.228 6.228 8.540 -2.312 18953 10336 1 11 . 1 1 132 132 TRP N N 132 122.333 122.333 123.290 -0.957 18953 10337 1 11 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.014 0.121 18953 10338 1 11 . 1 1 132 132 TRP C C 132 177.557 177.557 174.604 2.953 18953 10339 1 11 . 1 1 132 132 TRP CA C 132 56.896 56.896 56.096 0.800 18953 10340 1 11 . 1 1 132 132 TRP CB C 132 33.795 33.795 31.999 1.796 18953 10341 1 11 . 1 1 132 132 TRP H H 132 8.838 8.838 9.169 -0.331 18953 10342 1 11 . 1 1 133 133 LEU N N 133 121.883 121.883 124.832 -2.949 18953 10343 1 11 . 1 1 133 133 LEU HA H 133 5.122 5.122 4.968 0.154 18953 10344 1 11 . 1 1 133 133 LEU C C 133 176.457 176.457 175.028 1.429 18953 10345 1 11 . 1 1 133 133 LEU CA C 133 53.536 53.536 53.445 0.091 18953 10346 1 11 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.626 2.944 18953 10347 1 11 . 1 1 133 133 LEU H H 133 9.403 9.403 9.069 0.334 18953 10348 1 11 . 1 1 134 134 VAL N N 134 123.013 123.013 126.483 -3.470 18953 10349 1 11 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.361 0.198 18953 10350 1 11 . 1 1 134 134 VAL C C 134 177.780 177.780 174.400 3.380 18953 10351 1 11 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.390 -0.441 18953 10352 1 11 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.805 -0.716 18953 10353 1 11 . 1 1 134 134 VAL H H 134 8.948 8.948 8.981 -0.033 18953 10354 1 11 . 1 1 135 135 TYR N N 135 122.405 122.405 124.706 -2.301 18953 10355 1 11 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.774 0.766 18953 10356 1 11 . 1 1 135 135 TYR C C 135 172.456 172.456 175.666 -3.210 18953 10357 1 11 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.909 -0.912 18953 10358 1 11 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.487 -0.742 18953 10359 1 11 . 1 1 135 135 TYR H H 135 9.068 9.068 9.401 -0.333 18953 10360 1 11 . 1 1 136 136 GLU N N 136 121.335 121.335 124.674 -3.339 18953 10361 1 11 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.311 -0.208 18953 10362 1 11 . 1 1 136 136 GLU C C 136 176.022 176.022 176.700 -0.678 18953 10363 1 11 . 1 1 136 136 GLU CA C 136 59.896 59.896 59.173 0.723 18953 10364 1 11 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.561 2.366 18953 10365 1 11 . 1 1 136 136 GLU H H 136 9.360 9.360 8.378 0.982 18953 10366 1 11 . 1 1 137 137 GLN N N 137 111.530 111.530 116.879 -5.349 18953 10367 1 11 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.675 0.292 18953 10368 1 11 . 1 1 137 137 GLN CA C 137 52.833 52.833 53.144 -0.311 18953 10369 1 11 . 1 1 137 137 GLN CB C 137 29.142 29.142 31.352 -2.210 18953 10370 1 11 . 1 1 137 137 GLN H H 137 7.808 7.808 8.039 -0.231 18953 10371 1 11 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.305 -0.163 18953 10372 1 11 . 1 1 138 138 PRO C C 138 176.607 176.607 177.010 -0.403 18953 10373 1 11 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.156 -0.695 18953 10374 1 11 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.521 0.672 18953 10375 1 11 . 1 1 139 139 ASN N N 139 113.240 113.240 116.262 -3.022 18953 10376 1 11 . 1 1 139 139 ASN HA H 139 3.356 3.356 3.846 -0.490 18953 10377 1 11 . 1 1 139 139 ASN C C 139 177.996 177.996 173.805 4.191 18953 10378 1 11 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.093 0.154 18953 10379 1 11 . 1 1 139 139 ASN CB C 139 36.635 36.635 36.927 -0.292 18953 10380 1 11 . 1 1 139 139 ASN H H 139 9.683 9.683 8.200 1.483 18953 10381 1 11 . 1 1 140 140 TYR N N 140 113.289 113.289 109.635 3.654 18953 10382 1 11 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.347 -0.587 18953 10383 1 11 . 1 1 140 140 TYR C C 140 176.488 176.488 174.662 1.826 18953 10384 1 11 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.069 -2.773 18953 10385 1 11 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.820 -0.860 18953 10386 1 11 . 1 1 140 140 TYR H H 140 8.000 8.000 7.749 0.251 18953 10387 1 11 . 1 1 141 141 THR N N 141 108.766 108.766 109.508 -0.742 18953 10388 1 11 . 1 1 141 141 THR HA H 141 4.697 4.697 4.687 0.010 18953 10389 1 11 . 1 1 141 141 THR C C 141 178.578 178.578 173.983 4.595 18953 10390 1 11 . 1 1 141 141 THR CA C 141 60.128 60.128 60.919 -0.791 18953 10391 1 11 . 1 1 141 141 THR CB C 141 72.848 72.848 72.362 0.485 18953 10392 1 11 . 1 1 141 141 THR H H 141 6.280 6.280 8.159 -1.879 18953 10393 1 11 . 1 1 142 142 GLY N N 142 106.121 106.121 107.674 -1.553 18953 10394 1 11 . 1 1 142 142 GLY C C 142 177.117 177.117 173.329 3.788 18953 10395 1 11 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.651 -0.484 18953 10396 1 11 . 1 1 142 142 GLY H H 142 8.285 8.285 8.347 -0.062 18953 10397 1 11 . 1 1 143 143 ARG N N 143 120.212 120.212 121.669 -1.457 18953 10398 1 11 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.843 0.093 18953 10399 1 11 . 1 1 143 143 ARG C C 143 177.580 177.580 176.016 1.564 18953 10400 1 11 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.777 1.343 18953 10401 1 11 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.643 1.513 18953 10402 1 11 . 1 1 143 143 ARG H H 143 8.583 8.583 8.334 0.249 18953 10403 1 11 . 1 1 144 144 GLN N N 144 119.516 119.516 121.209 -1.693 18953 10404 1 11 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.792 0.099 18953 10405 1 11 . 1 1 144 144 GLN C C 144 176.985 176.985 174.857 2.128 18953 10406 1 11 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.255 -0.933 18953 10407 1 11 . 1 1 144 144 GLN CB C 144 32.645 32.645 29.833 2.812 18953 10408 1 11 . 1 1 144 144 GLN H H 144 7.552 7.552 7.871 -0.319 18953 10409 1 11 . 1 1 145 145 PHE N N 145 114.745 114.745 120.265 -5.520 18953 10410 1 11 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.823 -0.166 18953 10411 1 11 . 1 1 145 145 PHE C C 145 176.969 176.969 174.619 2.350 18953 10412 1 11 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.458 -0.552 18953 10413 1 11 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.705 -0.438 18953 10414 1 11 . 1 1 145 145 PHE H H 145 8.696 8.696 8.665 0.031 18953 10415 1 11 . 1 1 146 146 TYR N N 146 124.271 124.271 126.531 -2.260 18953 10416 1 11 . 1 1 146 146 TYR HA H 146 5.274 5.274 5.088 0.186 18953 10417 1 11 . 1 1 146 146 TYR C C 146 176.212 176.212 174.255 1.957 18953 10418 1 11 . 1 1 146 146 TYR CA C 146 55.740 55.740 56.191 -0.451 18953 10419 1 11 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.346 -0.112 18953 10420 1 11 . 1 1 146 146 TYR H H 146 8.915 8.915 9.172 -0.257 18953 10421 1 11 . 1 1 147 147 LEU N N 147 103.207 103.207 130.100 -26.893 18953 10422 1 11 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.437 -0.046 18953 10423 1 11 . 1 1 147 147 LEU C C 147 178.198 178.198 175.603 2.595 18953 10424 1 11 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.048 0.921 18953 10425 1 11 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.622 1.523 18953 10426 1 11 . 1 1 147 147 LEU H H 147 9.229 9.229 9.106 0.123 18953 10427 1 11 . 1 1 148 148 ARG N N 148 120.815 120.815 123.401 -2.586 18953 10428 1 11 . 1 1 148 148 ARG HA H 148 4.579 4.579 5.156 -0.577 18953 10429 1 11 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.888 0.106 18953 10430 1 11 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.965 -0.709 18953 10431 1 11 . 1 1 148 148 ARG H H 148 6.955 6.955 8.807 -1.852 18953 10432 1 11 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.264 -0.078 18953 10433 1 11 . 1 1 149 149 PRO C C 149 175.154 175.154 177.031 -1.877 18953 10434 1 11 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.355 1.500 18953 10435 1 11 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.899 -0.262 18953 10436 1 11 . 1 1 150 150 GLY N N 150 111.695 111.695 107.485 4.210 18953 10437 1 11 . 1 1 150 150 GLY C C 150 179.740 179.740 171.936 7.804 18953 10438 1 11 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.426 0.187 18953 10439 1 11 . 1 1 150 150 GLY H H 150 8.965 8.965 7.686 1.279 18953 10440 1 11 . 1 1 151 151 GLU N N 151 118.822 118.822 120.162 -1.340 18953 10441 1 11 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.851 -0.528 18953 10442 1 11 . 1 1 151 151 GLU C C 151 176.078 176.078 175.211 0.867 18953 10443 1 11 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.694 0.859 18953 10444 1 11 . 1 1 151 151 GLU CB C 151 31.878 31.878 31.972 -0.094 18953 10445 1 11 . 1 1 151 151 GLU H H 151 8.403 8.403 8.323 0.080 18953 10446 1 11 . 1 1 152 152 TYR N N 152 123.055 123.055 122.239 0.816 18953 10447 1 11 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.966 -0.226 18953 10448 1 11 . 1 1 152 152 TYR C C 152 176.413 176.413 175.976 0.437 18953 10449 1 11 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.408 -0.438 18953 10450 1 11 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.407 -2.632 18953 10451 1 11 . 1 1 152 152 TYR H H 152 8.859 8.859 9.473 -0.614 18953 10452 1 11 . 1 1 153 153 ARG N N 153 124.271 124.271 117.284 6.987 18953 10453 1 11 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.651 -0.635 18953 10454 1 11 . 1 1 153 153 ARG C C 153 176.727 176.727 175.618 1.109 18953 10455 1 11 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.595 4.609 18953 10456 1 11 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.383 -2.043 18953 10457 1 11 . 1 1 153 153 ARG H H 153 8.882 8.882 9.168 -0.286 18953 10458 1 11 . 1 1 154 154 SER N N 154 111.500 111.500 113.196 -1.696 18953 10459 1 11 . 1 1 154 154 SER HA H 154 5.194 5.194 4.593 0.601 18953 10460 1 11 . 1 1 154 154 SER C C 154 176.379 176.379 173.191 3.188 18953 10461 1 11 . 1 1 154 154 SER CA C 154 56.894 56.894 56.440 0.455 18953 10462 1 11 . 1 1 154 154 SER CB C 154 66.352 66.352 64.486 1.866 18953 10463 1 11 . 1 1 154 154 SER H H 154 8.070 8.070 7.836 0.234 18953 10464 1 11 . 1 1 155 155 TYR N N 155 119.386 119.386 121.719 -2.333 18953 10465 1 11 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.213 -2.050 18953 10466 1 11 . 1 1 155 155 TYR C C 155 174.639 174.639 176.420 -1.781 18953 10467 1 11 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.681 -2.312 18953 10468 1 11 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.289 1.110 18953 10469 1 11 . 1 1 155 155 TYR H H 155 7.638 7.638 7.415 0.223 18953 10470 1 11 . 1 1 156 156 ASN N N 156 119.038 119.038 114.298 4.740 18953 10471 1 11 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.502 -0.382 18953 10472 1 11 . 1 1 156 156 ASN C C 156 172.889 172.889 175.212 -2.323 18953 10473 1 11 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.555 2.041 18953 10474 1 11 . 1 1 156 156 ASN CB C 156 38.621 38.621 37.473 1.148 18953 10475 1 11 . 1 1 156 156 ASN H H 156 6.819 6.819 7.900 -1.081 18953 10476 1 11 . 1 1 157 157 ASP N N 157 118.338 118.338 121.019 -2.681 18953 10477 1 11 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.485 0.096 18953 10478 1 11 . 1 1 157 157 ASP C C 157 173.908 173.908 176.822 -2.914 18953 10479 1 11 . 1 1 157 157 ASP CA C 157 57.382 57.382 57.188 0.194 18953 10480 1 11 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.740 -0.113 18953 10481 1 11 . 1 1 157 157 ASP H H 157 7.791 7.791 7.790 0.001 18953 10482 1 11 . 1 1 158 158 TRP N N 158 114.610 114.610 119.548 -4.938 18953 10483 1 11 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.898 0.436 18953 10484 1 11 . 1 1 158 158 TRP C C 158 175.711 175.711 176.420 -0.709 18953 10485 1 11 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.226 0.843 18953 10486 1 11 . 1 1 158 158 TRP CB C 158 28.119 28.119 29.061 -0.942 18953 10487 1 11 . 1 1 158 158 TRP H H 158 7.000 7.000 6.761 0.239 18953 10488 1 11 . 1 1 159 159 GLY N N 159 108.647 108.647 108.313 0.334 18953 10489 1 11 . 1 1 159 159 GLY C C 159 175.991 175.991 174.401 1.590 18953 10490 1 11 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.455 0.277 18953 10491 1 11 . 1 1 159 159 GLY H H 159 7.588 7.588 7.923 -0.335 18953 10492 1 11 . 1 1 160 160 GLY N N 160 107.348 107.348 106.351 0.997 18953 10493 1 11 . 1 1 160 160 GLY C C 160 178.604 178.604 173.042 5.562 18953 10494 1 11 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.565 1.791 18953 10495 1 11 . 1 1 160 160 GLY H H 160 7.326 7.326 7.910 -0.584 18953 10496 1 11 . 1 1 161 161 VAL N N 161 118.047 118.047 115.090 2.957 18953 10497 1 11 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.265 -0.013 18953 10498 1 11 . 1 1 161 161 VAL C C 161 175.118 175.118 176.072 -0.954 18953 10499 1 11 . 1 1 161 161 VAL CA C 161 63.303 63.303 62.718 0.585 18953 10500 1 11 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.870 -1.036 18953 10501 1 11 . 1 1 161 161 VAL H H 161 8.697 8.697 8.443 0.254 18953 10502 1 11 . 1 1 162 162 THR N N 162 111.630 111.630 110.008 1.622 18953 10503 1 11 . 1 1 162 162 THR HA H 162 3.659 3.659 4.331 -0.672 18953 10504 1 11 . 1 1 162 162 THR C C 162 179.191 179.191 173.956 5.235 18953 10505 1 11 . 1 1 162 162 THR CA C 162 59.431 59.431 60.797 -1.367 18953 10506 1 11 . 1 1 162 162 THR CB C 162 71.935 71.935 70.931 1.004 18953 10507 1 11 . 1 1 162 162 THR H H 162 7.864 7.864 7.452 0.412 18953 10508 1 11 . 1 1 163 163 SER N N 163 112.275 112.275 113.997 -1.722 18953 10509 1 11 . 1 1 163 163 SER HA H 163 4.018 4.018 4.788 -0.770 18953 10510 1 11 . 1 1 163 163 SER C C 163 178.307 178.307 174.269 4.038 18953 10511 1 11 . 1 1 163 163 SER CA C 163 57.968 57.968 56.897 1.071 18953 10512 1 11 . 1 1 163 163 SER CB C 163 63.093 63.093 63.530 -0.437 18953 10513 1 11 . 1 1 163 163 SER H H 163 7.502 7.502 8.680 -1.178 18953 10514 1 11 . 1 1 164 164 ARG N N 164 122.770 122.770 124.056 -1.286 18953 10515 1 11 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.582 -0.157 18953 10516 1 11 . 1 1 164 164 ARG C C 164 175.003 175.003 175.209 -0.206 18953 10517 1 11 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.178 0.959 18953 10518 1 11 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.576 1.877 18953 10519 1 11 . 1 1 164 164 ARG H H 164 7.578 7.578 7.620 -0.042 18953 10520 1 11 . 1 1 165 165 MET N N 165 122.454 122.454 121.291 1.163 18953 10521 1 11 . 1 1 165 165 MET HA H 165 4.620 4.620 4.855 -0.235 18953 10522 1 11 . 1 1 165 165 MET C C 165 177.244 177.244 175.915 1.329 18953 10523 1 11 . 1 1 165 165 MET CA C 165 56.192 56.192 55.499 0.693 18953 10524 1 11 . 1 1 165 165 MET CB C 165 37.269 37.269 33.955 3.314 18953 10525 1 11 . 1 1 165 165 MET H H 165 8.480 8.480 8.468 0.012 18953 10526 1 11 . 1 1 166 166 GLY N N 166 107.987 107.987 109.696 -1.709 18953 10527 1 11 . 1 1 166 166 GLY C C 166 177.648 177.648 173.333 4.315 18953 10528 1 11 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.655 1.037 18953 10529 1 11 . 1 1 166 166 GLY H H 166 9.046 9.046 8.728 0.318 18953 10530 1 11 . 1 1 167 167 SER N N 167 113.024 113.024 115.951 -2.927 18953 10531 1 11 . 1 1 167 167 SER HA H 167 4.562 4.562 5.803 -1.241 18953 10532 1 11 . 1 1 167 167 SER C C 167 179.104 179.104 173.118 5.986 18953 10533 1 11 . 1 1 167 167 SER CA C 167 58.729 58.729 56.527 2.202 18953 10534 1 11 . 1 1 167 167 SER CB C 167 64.816 64.816 66.675 -1.859 18953 10535 1 11 . 1 1 167 167 SER H H 167 8.257 8.257 8.048 0.209 18953 10536 1 11 . 1 1 168 168 ILE N N 168 118.927 118.927 120.464 -1.537 18953 10537 1 11 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.120 0.388 18953 10538 1 11 . 1 1 168 168 ILE C C 168 177.783 177.783 174.327 3.456 18953 10539 1 11 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.866 0.295 18953 10540 1 11 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.053 1.157 18953 10541 1 11 . 1 1 168 168 ILE H H 168 8.922 8.922 9.299 -0.377 18953 10542 1 11 . 1 1 169 169 ARG N N 169 124.820 124.820 124.607 0.213 18953 10543 1 11 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.753 0.292 18953 10544 1 11 . 1 1 169 169 ARG C C 169 177.350 177.350 174.091 3.259 18953 10545 1 11 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.573 -0.388 18953 10546 1 11 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.703 0.288 18953 10547 1 11 . 1 1 169 169 ARG H H 169 9.757 9.757 9.353 0.404 18953 10548 1 11 . 1 1 170 170 ARG N N 170 122.951 122.951 127.534 -4.583 18953 10549 1 11 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.928 -0.663 18953 10550 1 11 . 1 1 170 170 ARG C C 170 174.373 174.373 175.467 -1.094 18953 10551 1 11 . 1 1 170 170 ARG CA C 170 55.170 55.170 53.907 1.263 18953 10552 1 11 . 1 1 170 170 ARG CB C 170 30.150 30.150 29.509 0.641 18953 10553 1 11 . 1 1 170 170 ARG H H 170 8.552 8.552 8.440 0.112 18953 10554 1 11 . 1 1 171 171 ILE N N 171 123.280 123.280 126.777 -3.497 18953 10555 1 11 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.671 0.131 18953 10556 1 11 . 1 1 171 171 ILE C C 171 177.088 177.088 174.436 2.652 18953 10557 1 11 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.580 -0.019 18953 10558 1 11 . 1 1 171 171 ILE CB C 171 36.326 36.326 35.678 0.648 18953 10559 1 11 . 1 1 171 171 ILE H H 171 8.424 8.424 7.956 0.468 18953 10560 1 11 . 1 1 172 172 THR N N 172 117.270 117.270 119.492 -2.222 18953 10561 1 11 . 1 1 172 172 THR HA H 172 4.558 4.558 4.204 0.354 18953 10562 1 11 . 1 1 172 172 THR C C 172 177.651 177.651 172.508 5.143 18953 10563 1 11 . 1 1 172 172 THR CA C 172 60.095 60.095 62.068 -1.973 18953 10564 1 11 . 1 1 172 172 THR CB C 172 70.040 70.040 69.308 0.732 18953 10565 1 11 . 1 1 172 172 THR H H 172 7.299 7.299 8.193 -0.894 18953 10566 1 11 . 1 1 173 173 ASP N N 173 121.598 121.598 123.242 -1.644 18953 10567 1 11 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.648 -0.203 18953 10568 1 11 . 1 1 173 173 ASP C C 173 177.041 177.041 175.989 1.052 18953 10569 1 11 . 1 1 173 173 ASP CA C 173 55.010 55.010 53.515 1.495 18953 10570 1 11 . 1 1 173 173 ASP CB C 173 41.524 41.524 42.051 -0.527 18953 10571 1 11 . 1 1 173 173 ASP H H 173 8.477 8.477 8.161 0.316 18953 10572 1 12 . 1 1 2 2 GLY C C 2 182.782 182.782 172.719 10.063 18953 10573 1 12 . 1 1 2 2 GLY CA C 2 43.547 43.547 44.494 -0.947 18953 10574 1 12 . 1 1 3 3 LYS N N 3 120.153 120.153 119.361 0.792 18953 10575 1 12 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.541 0.474 18953 10576 1 12 . 1 1 3 3 LYS C C 3 179.140 179.140 173.840 5.300 18953 10577 1 12 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.666 1.644 18953 10578 1 12 . 1 1 3 3 LYS CB C 3 35.698 35.698 36.986 -1.288 18953 10579 1 12 . 1 1 3 3 LYS H H 3 8.398 8.398 8.018 0.380 18953 10580 1 12 . 1 1 4 4 ILE N N 4 129.769 129.769 125.144 4.625 18953 10581 1 12 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.426 0.180 18953 10582 1 12 . 1 1 4 4 ILE C C 4 180.618 180.618 173.038 7.580 18953 10583 1 12 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.871 -0.471 18953 10584 1 12 . 1 1 4 4 ILE CB C 4 41.019 41.019 40.507 0.512 18953 10585 1 12 . 1 1 4 4 ILE H H 4 8.871 8.871 8.356 0.515 18953 10586 1 12 . 1 1 5 5 ILE N N 5 125.103 125.103 129.940 -4.837 18953 10587 1 12 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.948 -0.440 18953 10588 1 12 . 1 1 5 5 ILE C C 5 177.516 177.516 174.966 2.550 18953 10589 1 12 . 1 1 5 5 ILE CA C 5 60.829 60.829 58.232 2.597 18953 10590 1 12 . 1 1 5 5 ILE CB C 5 40.417 40.417 38.460 1.957 18953 10591 1 12 . 1 1 5 5 ILE H H 5 8.788 8.788 8.731 0.057 18953 10592 1 12 . 1 1 6 6 PHE N N 6 125.558 125.558 126.430 -0.872 18953 10593 1 12 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.766 -0.143 18953 10594 1 12 . 1 1 6 6 PHE C C 6 176.512 176.512 175.192 1.320 18953 10595 1 12 . 1 1 6 6 PHE CA C 6 57.219 57.219 57.258 -0.039 18953 10596 1 12 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.340 0.143 18953 10597 1 12 . 1 1 6 6 PHE H H 6 8.540 8.540 9.122 -0.582 18953 10598 1 12 . 1 1 7 7 TYR N N 7 120.647 120.647 118.998 1.649 18953 10599 1 12 . 1 1 7 7 TYR HA H 7 5.171 5.171 4.983 0.188 18953 10600 1 12 . 1 1 7 7 TYR C C 7 173.898 173.898 175.430 -1.532 18953 10601 1 12 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.877 -0.431 18953 10602 1 12 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.703 -3.393 18953 10603 1 12 . 1 1 7 7 TYR H H 7 8.889 8.889 9.130 -0.241 18953 10604 1 12 . 1 1 8 8 GLU N N 8 122.007 122.007 123.308 -1.301 18953 10605 1 12 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.242 -0.061 18953 10606 1 12 . 1 1 8 8 GLU C C 8 174.881 174.881 176.830 -1.949 18953 10607 1 12 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.229 1.837 18953 10608 1 12 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.794 1.258 18953 10609 1 12 . 1 1 8 8 GLU H H 8 8.756 8.756 8.710 0.046 18953 10610 1 12 . 1 1 9 9 ASP N N 9 114.203 114.203 119.032 -4.829 18953 10611 1 12 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.620 0.602 18953 10612 1 12 . 1 1 9 9 ASP CA C 9 52.366 52.366 53.732 -1.366 18953 10613 1 12 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.205 1.231 18953 10614 1 12 . 1 1 9 9 ASP H H 9 7.977 7.977 8.021 -0.044 18953 10615 1 12 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.657 -1.538 18953 10616 1 12 . 1 1 11 11 ASN CA C 11 56.660 56.660 52.808 3.852 18953 10617 1 12 . 1 1 11 11 ASN CB C 11 35.050 35.050 37.144 -2.094 18953 10618 1 12 . 1 1 13 13 GLY C C 13 178.281 178.281 174.035 4.246 18953 10619 1 12 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.770 -0.324 18953 10620 1 12 . 1 1 14 14 GLY N N 14 105.348 105.348 108.158 -2.810 18953 10621 1 12 . 1 1 14 14 GLY C C 14 176.463 176.463 174.244 2.219 18953 10622 1 12 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.223 -0.112 18953 10623 1 12 . 1 1 14 14 GLY H H 14 8.261 8.261 8.283 -0.022 18953 10624 1 12 . 1 1 15 15 ARG N N 15 119.637 119.637 125.042 -5.405 18953 10625 1 12 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.490 -0.279 18953 10626 1 12 . 1 1 15 15 ARG C C 15 176.574 176.574 176.095 0.479 18953 10627 1 12 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.286 1.046 18953 10628 1 12 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.718 0.695 18953 10629 1 12 . 1 1 15 15 ARG H H 15 8.579 8.579 8.355 0.224 18953 10630 1 12 . 1 1 16 16 TYR N N 16 114.846 114.846 122.101 -7.255 18953 10631 1 12 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.011 0.847 18953 10632 1 12 . 1 1 16 16 TYR C C 16 176.510 176.510 174.630 1.880 18953 10633 1 12 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.813 -0.200 18953 10634 1 12 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.483 1.935 18953 10635 1 12 . 1 1 16 16 TYR H H 16 7.617 7.617 8.263 -0.646 18953 10636 1 12 . 1 1 17 17 HIS N N 17 118.443 118.443 121.285 -2.842 18953 10637 1 12 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.809 0.000 18953 10638 1 12 . 1 1 17 17 HIS C C 17 177.970 177.970 173.558 4.412 18953 10639 1 12 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.211 0.351 18953 10640 1 12 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.312 0.292 18953 10641 1 12 . 1 1 17 17 HIS H H 17 8.785 8.785 8.567 0.218 18953 10642 1 12 . 1 1 18 18 GLU N N 18 126.223 126.223 125.642 0.581 18953 10643 1 12 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.440 0.398 18953 10644 1 12 . 1 1 18 18 GLU C C 18 176.504 176.504 174.742 1.762 18953 10645 1 12 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.202 -0.103 18953 10646 1 12 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.068 2.054 18953 10647 1 12 . 1 1 18 18 GLU H H 18 8.529 8.529 8.366 0.163 18953 10648 1 12 . 1 1 19 19 CYS N N 19 121.383 121.383 124.673 -3.290 18953 10649 1 12 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.632 0.025 18953 10650 1 12 . 1 1 19 19 CYS C C 19 178.018 178.018 173.852 4.166 18953 10651 1 12 . 1 1 19 19 CYS CA C 19 58.777 58.777 57.702 1.075 18953 10652 1 12 . 1 1 19 19 CYS CB C 19 29.812 29.812 31.215 -1.403 18953 10653 1 12 . 1 1 19 19 CYS H H 19 9.163 9.163 9.006 0.157 18953 10654 1 12 . 1 1 20 20 MET N N 20 126.877 126.877 124.552 2.325 18953 10655 1 12 . 1 1 20 20 MET HA H 20 5.295 5.295 4.625 0.670 18953 10656 1 12 . 1 1 20 20 MET C C 20 176.776 176.776 174.525 2.251 18953 10657 1 12 . 1 1 20 20 MET CA C 20 55.260 55.260 55.560 -0.300 18953 10658 1 12 . 1 1 20 20 MET CB C 20 33.370 33.370 33.111 0.259 18953 10659 1 12 . 1 1 20 20 MET H H 20 8.995 8.995 8.729 0.266 18953 10660 1 12 . 1 1 21 21 SER N N 21 179.042 179.042 115.101 63.941 18953 10661 1 12 . 1 1 21 21 SER HA H 21 4.658 4.658 4.596 0.062 18953 10662 1 12 . 1 1 21 21 SER C C 21 179.042 179.042 172.990 6.052 18953 10663 1 12 . 1 1 21 21 SER CA C 21 57.586 57.586 57.310 0.276 18953 10664 1 12 . 1 1 21 21 SER CB C 21 65.782 65.782 64.495 1.287 18953 10665 1 12 . 1 1 21 21 SER H H 21 7.990 7.990 7.855 0.135 18953 10666 1 12 . 1 1 22 22 ASP N N 22 117.203 117.203 119.403 -2.200 18953 10667 1 12 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.720 0.231 18953 10668 1 12 . 1 1 22 22 ASP C C 22 173.564 173.564 175.197 -1.633 18953 10669 1 12 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.160 1.312 18953 10670 1 12 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.731 1.088 18953 10671 1 12 . 1 1 22 22 ASP H H 22 8.317 8.317 8.368 -0.051 18953 10672 1 12 . 1 1 23 23 CYS N N 23 121.308 121.308 121.403 -0.095 18953 10673 1 12 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.770 0.021 18953 10674 1 12 . 1 1 23 23 CYS C C 23 177.265 177.265 174.400 2.865 18953 10675 1 12 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.943 2.020 18953 10676 1 12 . 1 1 23 23 CYS CB C 23 29.412 29.412 29.517 -0.105 18953 10677 1 12 . 1 1 23 23 CYS H H 23 9.410 9.410 8.871 0.539 18953 10678 1 12 . 1 1 24 24 ALA N N 24 131.693 131.693 128.854 2.839 18953 10679 1 12 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.834 -0.312 18953 10680 1 12 . 1 1 24 24 ALA C C 24 175.455 175.455 175.701 -0.246 18953 10681 1 12 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.693 1.921 18953 10682 1 12 . 1 1 24 24 ALA CB C 24 19.175 19.175 19.263 -0.088 18953 10683 1 12 . 1 1 24 24 ALA H H 24 9.210 9.210 8.755 0.455 18953 10684 1 12 . 1 1 25 25 ASP N N 25 113.873 113.873 117.212 -3.339 18953 10685 1 12 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.738 0.157 18953 10686 1 12 . 1 1 25 25 ASP C C 25 174.970 174.970 175.029 -0.059 18953 10687 1 12 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.169 0.751 18953 10688 1 12 . 1 1 25 25 ASP CB C 25 40.564 40.564 41.340 -0.776 18953 10689 1 12 . 1 1 25 25 ASP H H 25 7.524 7.524 7.563 -0.039 18953 10690 1 12 . 1 1 26 26 LEU N N 26 127.166 127.166 122.273 4.893 18953 10691 1 12 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.379 -0.380 18953 10692 1 12 . 1 1 26 26 LEU C C 26 173.727 173.727 176.907 -3.180 18953 10693 1 12 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.561 1.590 18953 10694 1 12 . 1 1 26 26 LEU CB C 26 42.359 42.359 43.088 -0.729 18953 10695 1 12 . 1 1 26 26 LEU H H 26 8.495 8.495 8.861 -0.366 18953 10696 1 12 . 1 1 27 27 HIS N N 27 118.732 118.732 119.949 -1.217 18953 10697 1 12 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.220 0.317 18953 10698 1 12 . 1 1 27 27 HIS C C 27 175.667 175.667 175.851 -0.184 18953 10699 1 12 . 1 1 27 27 HIS CA C 27 57.793 57.793 58.947 -1.154 18953 10700 1 12 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.147 -1.109 18953 10701 1 12 . 1 1 27 27 HIS H H 27 8.446 8.446 7.734 0.712 18953 10702 1 12 . 1 1 28 28 SER N N 28 112.598 112.598 113.002 -0.404 18953 10703 1 12 . 1 1 28 28 SER HA H 28 3.792 3.792 4.170 -0.378 18953 10704 1 12 . 1 1 28 28 SER C C 28 177.551 177.551 176.061 1.490 18953 10705 1 12 . 1 1 28 28 SER CA C 28 60.406 60.406 60.651 -0.245 18953 10706 1 12 . 1 1 28 28 SER CB C 28 62.814 62.814 62.992 -0.178 18953 10707 1 12 . 1 1 28 28 SER H H 28 7.237 7.237 8.172 -0.935 18953 10708 1 12 . 1 1 29 29 TYR N N 29 118.301 118.301 118.389 -0.088 18953 10709 1 12 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.170 0.132 18953 10710 1 12 . 1 1 29 29 TYR C C 29 176.283 176.283 176.297 -0.014 18953 10711 1 12 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.482 -1.814 18953 10712 1 12 . 1 1 29 29 TYR CB C 29 39.471 39.471 38.956 0.515 18953 10713 1 12 . 1 1 29 29 TYR H H 29 7.224 7.224 7.630 -0.406 18953 10714 1 12 . 1 1 30 30 PHE N N 30 112.713 112.713 110.756 1.957 18953 10715 1 12 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.810 -0.128 18953 10716 1 12 . 1 1 30 30 PHE C C 30 177.785 177.785 173.809 3.976 18953 10717 1 12 . 1 1 30 30 PHE CA C 30 55.924 55.924 55.619 0.305 18953 10718 1 12 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.202 -0.458 18953 10719 1 12 . 1 1 30 30 PHE H H 30 7.173 7.173 7.696 -0.523 18953 10720 1 12 . 1 1 31 31 ASN N N 31 115.959 115.959 119.670 -3.711 18953 10721 1 12 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.278 0.432 18953 10722 1 12 . 1 1 31 31 ASN C C 31 176.537 176.537 174.190 2.347 18953 10723 1 12 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.113 0.438 18953 10724 1 12 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.453 0.603 18953 10725 1 12 . 1 1 31 31 ASN H H 31 8.918 8.918 8.600 0.318 18953 10726 1 12 . 1 1 32 32 ARG N N 32 117.693 117.693 116.977 0.716 18953 10727 1 12 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.499 0.128 18953 10728 1 12 . 1 1 32 32 ARG C C 32 178.177 178.177 173.519 4.658 18953 10729 1 12 . 1 1 32 32 ARG CA C 32 55.156 55.156 56.171 -1.015 18953 10730 1 12 . 1 1 32 32 ARG CB C 32 33.091 33.091 33.087 0.004 18953 10731 1 12 . 1 1 32 32 ARG H H 32 7.893 7.893 7.832 0.061 18953 10732 1 12 . 1 1 33 33 CYS N N 33 119.494 119.494 122.198 -2.704 18953 10733 1 12 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.733 0.219 18953 10734 1 12 . 1 1 33 33 CYS C C 33 176.223 176.223 173.771 2.452 18953 10735 1 12 . 1 1 33 33 CYS CA C 33 58.307 58.307 58.292 0.015 18953 10736 1 12 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.587 -0.836 18953 10737 1 12 . 1 1 33 33 CYS H H 33 8.161 8.161 8.699 -0.538 18953 10738 1 12 . 1 1 34 34 HIS N N 34 126.786 126.786 125.254 1.532 18953 10739 1 12 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.325 0.697 18953 10740 1 12 . 1 1 34 34 HIS C C 34 176.224 176.224 174.276 1.948 18953 10741 1 12 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.716 -0.018 18953 10742 1 12 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.134 2.175 18953 10743 1 12 . 1 1 34 34 HIS H H 34 8.325 8.325 8.456 -0.131 18953 10744 1 12 . 1 1 35 35 SER N N 35 113.132 113.132 113.641 -0.509 18953 10745 1 12 . 1 1 35 35 SER HA H 35 5.264 5.264 5.140 0.124 18953 10746 1 12 . 1 1 35 35 SER C C 35 179.093 179.093 172.699 6.394 18953 10747 1 12 . 1 1 35 35 SER CA C 35 59.951 59.951 57.113 2.838 18953 10748 1 12 . 1 1 35 35 SER CB C 35 65.754 65.754 65.831 -0.077 18953 10749 1 12 . 1 1 35 35 SER H H 35 8.489 8.489 8.093 0.396 18953 10750 1 12 . 1 1 36 36 ILE N N 36 119.607 119.607 120.250 -0.643 18953 10751 1 12 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.802 0.567 18953 10752 1 12 . 1 1 36 36 ILE C C 36 176.313 176.313 173.955 2.358 18953 10753 1 12 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.861 -0.367 18953 10754 1 12 . 1 1 36 36 ILE CB C 36 45.770 45.770 43.033 2.737 18953 10755 1 12 . 1 1 36 36 ILE H H 36 8.579 8.579 8.929 -0.350 18953 10756 1 12 . 1 1 37 37 ARG N N 37 126.328 126.328 125.681 0.647 18953 10757 1 12 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.929 0.030 18953 10758 1 12 . 1 1 37 37 ARG C C 37 176.785 176.785 174.298 2.487 18953 10759 1 12 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.197 0.917 18953 10760 1 12 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.492 0.842 18953 10761 1 12 . 1 1 37 37 ARG H H 37 9.342 9.342 9.160 0.182 18953 10762 1 12 . 1 1 38 38 VAL N N 38 125.466 125.466 128.464 -2.998 18953 10763 1 12 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.572 -0.248 18953 10764 1 12 . 1 1 38 38 VAL C C 38 175.196 175.196 176.037 -0.841 18953 10765 1 12 . 1 1 38 38 VAL CA C 38 62.436 62.436 61.794 0.642 18953 10766 1 12 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.167 -0.493 18953 10767 1 12 . 1 1 38 38 VAL H H 38 9.122 9.122 9.026 0.096 18953 10768 1 12 . 1 1 39 39 GLU N N 39 128.582 128.582 128.225 0.357 18953 10769 1 12 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.267 -0.183 18953 10770 1 12 . 1 1 39 39 GLU C C 39 175.200 175.200 176.424 -1.224 18953 10771 1 12 . 1 1 39 39 GLU CA C 39 58.498 58.498 57.919 0.579 18953 10772 1 12 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.593 1.237 18953 10773 1 12 . 1 1 39 39 GLU H H 39 8.258 8.258 8.505 -0.247 18953 10774 1 12 . 1 1 40 40 SER N N 40 108.412 108.412 111.628 -3.216 18953 10775 1 12 . 1 1 40 40 SER HA H 40 4.343 4.343 4.510 -0.167 18953 10776 1 12 . 1 1 40 40 SER C C 40 178.000 178.000 172.923 5.077 18953 10777 1 12 . 1 1 40 40 SER CA C 40 57.623 57.623 58.059 -0.436 18953 10778 1 12 . 1 1 40 40 SER CB C 40 64.539 64.539 64.334 0.205 18953 10779 1 12 . 1 1 40 40 SER H H 40 7.753 7.753 7.476 0.277 18953 10780 1 12 . 1 1 41 41 GLY N N 41 109.451 109.451 113.594 -4.143 18953 10781 1 12 . 1 1 41 41 GLY C C 41 179.855 179.855 172.426 7.429 18953 10782 1 12 . 1 1 41 41 GLY CA C 41 44.884 44.884 44.834 0.050 18953 10783 1 12 . 1 1 41 41 GLY H H 41 8.714 8.714 8.670 0.044 18953 10784 1 12 . 1 1 42 42 CYS N N 42 112.295 112.295 119.398 -7.103 18953 10785 1 12 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.561 -0.627 18953 10786 1 12 . 1 1 42 42 CYS C C 42 178.663 178.663 173.229 5.434 18953 10787 1 12 . 1 1 42 42 CYS CA C 42 56.877 56.877 58.135 -1.258 18953 10788 1 12 . 1 1 42 42 CYS CB C 42 31.679 31.679 31.675 0.004 18953 10789 1 12 . 1 1 42 42 CYS H H 42 7.794 7.794 8.473 -0.679 18953 10790 1 12 . 1 1 43 43 PHE N N 43 118.841 118.841 116.668 2.173 18953 10791 1 12 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.769 0.355 18953 10792 1 12 . 1 1 43 43 PHE C C 43 178.045 178.045 172.199 5.846 18953 10793 1 12 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.247 -0.757 18953 10794 1 12 . 1 1 43 43 PHE CB C 43 44.957 44.957 40.231 4.726 18953 10795 1 12 . 1 1 43 43 PHE H H 43 8.509 8.509 8.877 -0.368 18953 10796 1 12 . 1 1 44 44 MET N N 44 119.494 119.494 120.304 -0.810 18953 10797 1 12 . 1 1 44 44 MET HA H 44 5.442 5.442 5.242 0.200 18953 10798 1 12 . 1 1 44 44 MET C C 44 174.336 174.336 174.075 0.261 18953 10799 1 12 . 1 1 44 44 MET CA C 44 52.992 52.992 53.395 -0.403 18953 10800 1 12 . 1 1 44 44 MET CB C 44 33.835 33.835 36.770 -2.935 18953 10801 1 12 . 1 1 44 44 MET H H 44 9.110 9.110 9.111 -0.001 18953 10802 1 12 . 1 1 45 45 VAL N N 45 117.666 117.666 120.085 -2.419 18953 10803 1 12 . 1 1 45 45 VAL HA H 45 5.387 5.387 5.010 0.377 18953 10804 1 12 . 1 1 45 45 VAL C C 45 177.844 177.844 173.493 4.351 18953 10805 1 12 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.230 0.403 18953 10806 1 12 . 1 1 45 45 VAL CB C 45 34.280 34.280 33.992 0.288 18953 10807 1 12 . 1 1 45 45 VAL H H 45 9.345 9.345 8.735 0.610 18953 10808 1 12 . 1 1 46 46 TYR N N 46 117.876 117.876 122.455 -4.579 18953 10809 1 12 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.163 0.842 18953 10810 1 12 . 1 1 46 46 TYR C C 46 173.152 173.152 175.907 -2.755 18953 10811 1 12 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.187 -0.504 18953 10812 1 12 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.127 -1.103 18953 10813 1 12 . 1 1 46 46 TYR H H 46 8.145 8.145 9.252 -1.107 18953 10814 1 12 . 1 1 47 47 ASP N N 47 119.783 119.783 121.777 -1.994 18953 10815 1 12 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.643 0.242 18953 10816 1 12 . 1 1 47 47 ASP C C 47 176.040 176.040 176.125 -0.085 18953 10817 1 12 . 1 1 47 47 ASP CA C 47 53.826 53.826 55.328 -1.502 18953 10818 1 12 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.941 -0.873 18953 10819 1 12 . 1 1 47 47 ASP H H 47 8.690 8.690 8.809 -0.119 18953 10820 1 12 . 1 1 48 48 ARG N N 48 116.008 116.008 116.158 -0.150 18953 10821 1 12 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.728 0.011 18953 10822 1 12 . 1 1 48 48 ARG C C 48 175.495 175.495 175.107 0.388 18953 10823 1 12 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.085 0.260 18953 10824 1 12 . 1 1 48 48 ARG CB C 48 34.662 34.662 34.418 0.244 18953 10825 1 12 . 1 1 48 48 ARG H H 48 7.627 7.627 7.908 -0.281 18953 10826 1 12 . 1 1 49 49 THR N N 49 110.526 110.526 113.328 -2.802 18953 10827 1 12 . 1 1 49 49 THR HA H 49 3.790 3.790 4.206 -0.416 18953 10828 1 12 . 1 1 49 49 THR C C 49 176.951 176.951 174.566 2.385 18953 10829 1 12 . 1 1 49 49 THR CA C 49 62.112 62.112 62.362 -0.250 18953 10830 1 12 . 1 1 49 49 THR CB C 49 70.189 70.189 69.608 0.581 18953 10831 1 12 . 1 1 49 49 THR H H 49 8.173 8.173 8.191 -0.018 18953 10832 1 12 . 1 1 50 50 ASN N N 50 112.515 112.515 118.681 -6.166 18953 10833 1 12 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.634 -0.385 18953 10834 1 12 . 1 1 50 50 ASN C C 50 178.172 178.172 173.530 4.642 18953 10835 1 12 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.342 1.036 18953 10836 1 12 . 1 1 50 50 ASN CB C 50 36.907 36.907 36.832 0.075 18953 10837 1 12 . 1 1 50 50 ASN H H 50 9.654 9.654 8.195 1.459 18953 10838 1 12 . 1 1 51 51 PHE N N 51 110.557 110.557 109.118 1.439 18953 10839 1 12 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.591 0.059 18953 10840 1 12 . 1 1 51 51 PHE C C 51 176.292 176.292 174.282 2.010 18953 10841 1 12 . 1 1 51 51 PHE CA C 51 55.668 55.668 58.244 -2.576 18953 10842 1 12 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.472 0.460 18953 10843 1 12 . 1 1 51 51 PHE H H 51 7.568 7.568 6.939 0.629 18953 10844 1 12 . 1 1 52 52 MET N N 52 117.547 117.547 117.431 0.116 18953 10845 1 12 . 1 1 52 52 MET HA H 52 4.859 4.859 4.833 0.026 18953 10846 1 12 . 1 1 52 52 MET C C 52 177.399 177.399 174.612 2.787 18953 10847 1 12 . 1 1 52 52 MET CA C 52 53.946 53.946 54.541 -0.595 18953 10848 1 12 . 1 1 52 52 MET CB C 52 35.335 35.335 36.624 -1.290 18953 10849 1 12 . 1 1 52 52 MET H H 52 6.355 6.355 7.342 -0.987 18953 10850 1 12 . 1 1 53 53 GLY N N 53 103.445 103.445 106.780 -3.335 18953 10851 1 12 . 1 1 53 53 GLY C C 53 175.327 175.327 174.505 0.822 18953 10852 1 12 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.721 -0.138 18953 10853 1 12 . 1 1 53 53 GLY H H 53 8.256 8.256 8.615 -0.359 18953 10854 1 12 . 1 1 54 54 ARG N N 54 124.195 124.195 121.737 2.458 18953 10855 1 12 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.024 0.138 18953 10856 1 12 . 1 1 54 54 ARG C C 54 177.235 177.235 175.902 1.333 18953 10857 1 12 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.213 -0.013 18953 10858 1 12 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.089 1.126 18953 10859 1 12 . 1 1 54 54 ARG H H 54 9.034 9.034 8.606 0.428 18953 10860 1 12 . 1 1 55 55 GLN N N 55 118.867 118.867 121.584 -2.717 18953 10861 1 12 . 1 1 55 55 GLN HA H 55 5.019 5.019 5.068 -0.049 18953 10862 1 12 . 1 1 55 55 GLN C C 55 176.166 176.166 174.387 1.779 18953 10863 1 12 . 1 1 55 55 GLN CA C 55 53.114 53.114 53.859 -0.745 18953 10864 1 12 . 1 1 55 55 GLN CB C 55 31.471 31.471 31.422 0.049 18953 10865 1 12 . 1 1 55 55 GLN H H 55 7.657 7.657 8.169 -0.512 18953 10866 1 12 . 1 1 56 56 TYR N N 56 117.323 117.323 121.319 -3.996 18953 10867 1 12 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.730 -0.280 18953 10868 1 12 . 1 1 56 56 TYR C C 56 177.276 177.276 174.153 3.123 18953 10869 1 12 . 1 1 56 56 TYR CA C 56 57.213 57.213 57.059 0.154 18953 10870 1 12 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.834 -1.274 18953 10871 1 12 . 1 1 56 56 TYR H H 56 8.704 8.704 8.739 -0.035 18953 10872 1 12 . 1 1 57 57 PHE N N 57 125.557 125.557 122.151 3.406 18953 10873 1 12 . 1 1 57 57 PHE HA H 57 5.217 5.217 5.125 0.092 18953 10874 1 12 . 1 1 57 57 PHE C C 57 176.412 176.412 173.986 2.426 18953 10875 1 12 . 1 1 57 57 PHE CA C 57 58.371 58.371 55.707 2.664 18953 10876 1 12 . 1 1 57 57 PHE CB C 57 40.989 40.989 39.866 1.123 18953 10877 1 12 . 1 1 57 57 PHE H H 57 8.600 8.600 8.659 -0.059 18953 10878 1 12 . 1 1 58 58 LEU N N 58 129.141 129.141 125.588 3.553 18953 10879 1 12 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.379 -0.024 18953 10880 1 12 . 1 1 58 58 LEU C C 58 177.356 177.356 175.618 1.738 18953 10881 1 12 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.359 0.491 18953 10882 1 12 . 1 1 58 58 LEU CB C 58 44.886 44.886 44.250 0.636 18953 10883 1 12 . 1 1 58 58 LEU H H 58 8.969 8.969 8.385 0.584 18953 10884 1 12 . 1 1 59 59 ARG N N 59 118.569 118.569 121.871 -3.302 18953 10885 1 12 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.794 -0.231 18953 10886 1 12 . 1 1 59 59 ARG C C 59 175.341 175.341 175.673 -0.332 18953 10887 1 12 . 1 1 59 59 ARG CA C 59 53.734 53.734 53.930 -0.196 18953 10888 1 12 . 1 1 59 59 ARG CB C 59 32.396 32.396 32.654 -0.258 18953 10889 1 12 . 1 1 59 59 ARG H H 59 7.107 7.107 8.494 -1.387 18953 10890 1 12 . 1 1 60 60 ARG N N 60 121.635 121.635 121.973 -0.338 18953 10891 1 12 . 1 1 60 60 ARG HA H 60 3.965 3.965 4.006 -0.041 18953 10892 1 12 . 1 1 60 60 ARG C C 60 175.525 175.525 175.714 -0.189 18953 10893 1 12 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.862 0.092 18953 10894 1 12 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.903 0.987 18953 10895 1 12 . 1 1 60 60 ARG H H 60 8.258 8.258 8.125 0.133 18953 10896 1 12 . 1 1 61 61 GLY N N 61 112.955 112.955 114.245 -1.290 18953 10897 1 12 . 1 1 61 61 GLY C C 61 180.518 180.518 171.710 8.808 18953 10898 1 12 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.751 -0.073 18953 10899 1 12 . 1 1 61 61 GLY H H 61 8.706 8.706 8.131 0.575 18953 10900 1 12 . 1 1 62 62 GLU N N 62 117.563 117.563 120.426 -2.863 18953 10901 1 12 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.587 -0.038 18953 10902 1 12 . 1 1 62 62 GLU C C 62 176.249 176.249 175.368 0.881 18953 10903 1 12 . 1 1 62 62 GLU CA C 62 55.813 55.813 55.473 0.340 18953 10904 1 12 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.448 1.396 18953 10905 1 12 . 1 1 62 62 GLU H H 62 8.161 8.161 8.426 -0.265 18953 10906 1 12 . 1 1 63 63 TYR N N 63 119.057 119.057 126.246 -7.189 18953 10907 1 12 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.970 0.206 18953 10908 1 12 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.270 -0.997 18953 10909 1 12 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.193 -1.145 18953 10910 1 12 . 1 1 63 63 TYR H H 63 8.827 8.827 8.860 -0.033 18953 10911 1 12 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.090 -0.406 18953 10912 1 12 . 1 1 64 64 PRO CA C 64 64.970 64.970 64.034 0.936 18953 10913 1 12 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.398 -0.263 18953 10914 1 12 . 1 1 65 65 ASP N N 65 118.810 118.810 112.930 5.880 18953 10915 1 12 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.114 -0.067 18953 10916 1 12 . 1 1 65 65 ASP C C 65 174.175 174.175 174.295 -0.120 18953 10917 1 12 . 1 1 65 65 ASP CA C 65 53.574 53.574 52.327 1.247 18953 10918 1 12 . 1 1 65 65 ASP CB C 65 39.805 39.805 42.461 -2.656 18953 10919 1 12 . 1 1 65 65 ASP H H 65 8.600 8.600 7.568 1.032 18953 10920 1 12 . 1 1 66 66 TYR N N 66 119.662 119.662 113.268 6.394 18953 10921 1 12 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.881 -0.480 18953 10922 1 12 . 1 1 66 66 TYR C C 66 175.431 175.431 175.985 -0.554 18953 10923 1 12 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.590 3.383 18953 10924 1 12 . 1 1 66 66 TYR CB C 66 38.024 38.024 40.112 -2.088 18953 10925 1 12 . 1 1 66 66 TYR H H 66 6.530 6.530 7.821 -1.291 18953 10926 1 12 . 1 1 67 67 MET N N 67 121.502 121.502 119.478 2.024 18953 10927 1 12 . 1 1 67 67 MET HA H 67 3.626 3.626 3.853 -0.227 18953 10928 1 12 . 1 1 67 67 MET C C 67 172.742 172.742 178.013 -5.271 18953 10929 1 12 . 1 1 67 67 MET CA C 67 59.998 59.998 59.671 0.327 18953 10930 1 12 . 1 1 67 67 MET CB C 67 32.064 32.064 32.185 -0.121 18953 10931 1 12 . 1 1 67 67 MET H H 67 8.299 8.299 7.638 0.661 18953 10932 1 12 . 1 1 68 68 ARG N N 68 116.824 116.824 115.215 1.609 18953 10933 1 12 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.280 -0.125 18953 10934 1 12 . 1 1 68 68 ARG C C 68 171.982 171.982 177.030 -5.048 18953 10935 1 12 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.239 0.361 18953 10936 1 12 . 1 1 68 68 ARG CB C 68 31.056 31.056 29.940 1.116 18953 10937 1 12 . 1 1 68 68 ARG H H 68 6.919 6.919 8.272 -1.353 18953 10938 1 12 . 1 1 69 69 THR N N 69 111.292 111.292 110.876 0.416 18953 10939 1 12 . 1 1 69 69 THR HA H 69 4.101 4.101 4.289 -0.188 18953 10940 1 12 . 1 1 69 69 THR C C 69 174.584 174.584 175.317 -0.733 18953 10941 1 12 . 1 1 69 69 THR CA C 69 65.512 65.512 63.802 1.710 18953 10942 1 12 . 1 1 69 69 THR CB C 69 68.821 68.821 69.092 -0.271 18953 10943 1 12 . 1 1 69 69 THR H H 69 8.020 8.020 7.686 0.334 18953 10944 1 12 . 1 1 70 70 MET N N 70 117.481 117.481 118.487 -1.006 18953 10945 1 12 . 1 1 70 70 MET HA H 70 4.496 4.496 4.433 0.063 18953 10946 1 12 . 1 1 70 70 MET C C 70 175.015 175.015 175.881 -0.866 18953 10947 1 12 . 1 1 70 70 MET CA C 70 56.029 56.029 54.926 1.103 18953 10948 1 12 . 1 1 70 70 MET CB C 70 33.013 33.013 34.564 -1.551 18953 10949 1 12 . 1 1 70 70 MET H H 70 8.315 8.315 8.046 0.269 18953 10950 1 12 . 1 1 71 71 GLY N N 71 108.537 108.537 108.526 0.011 18953 10951 1 12 . 1 1 71 71 GLY C C 71 176.534 176.534 173.318 3.216 18953 10952 1 12 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.432 1.777 18953 10953 1 12 . 1 1 71 71 GLY H H 71 7.352 7.352 7.787 -0.435 18953 10954 1 12 . 1 1 72 72 MET N N 72 118.363 118.363 117.723 0.640 18953 10955 1 12 . 1 1 72 72 MET HA H 72 4.375 4.375 4.750 -0.375 18953 10956 1 12 . 1 1 72 72 MET C C 72 176.034 176.034 175.653 0.381 18953 10957 1 12 . 1 1 72 72 MET CA C 72 55.884 55.884 54.530 1.354 18953 10958 1 12 . 1 1 72 72 MET CB C 72 35.756 35.756 35.469 0.287 18953 10959 1 12 . 1 1 72 72 MET H H 72 7.888 7.888 7.530 0.358 18953 10960 1 12 . 1 1 73 73 ASN N N 73 119.052 119.052 122.228 -3.176 18953 10961 1 12 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.863 -0.142 18953 10962 1 12 . 1 1 73 73 ASN C C 73 177.307 177.307 174.376 2.931 18953 10963 1 12 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.852 1.014 18953 10964 1 12 . 1 1 73 73 ASN CB C 73 39.872 39.872 37.893 1.979 18953 10965 1 12 . 1 1 73 73 ASN H H 73 8.956 8.956 8.744 0.212 18953 10966 1 12 . 1 1 74 74 ASP N N 74 118.536 118.536 117.162 1.374 18953 10967 1 12 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.656 0.220 18953 10968 1 12 . 1 1 74 74 ASP C C 74 177.595 177.595 174.228 3.367 18953 10969 1 12 . 1 1 74 74 ASP CA C 74 52.546 52.546 54.044 -1.498 18953 10970 1 12 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.712 2.332 18953 10971 1 12 . 1 1 74 74 ASP H H 74 7.831 7.831 7.689 0.142 18953 10972 1 12 . 1 1 75 75 CYS N N 75 116.378 116.378 116.299 0.079 18953 10973 1 12 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.273 -0.612 18953 10974 1 12 . 1 1 75 75 CYS C C 75 177.301 177.301 175.062 2.239 18953 10975 1 12 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.604 1.468 18953 10976 1 12 . 1 1 75 75 CYS CB C 75 29.613 29.613 31.012 -1.399 18953 10977 1 12 . 1 1 75 75 CYS H H 75 8.527 8.527 8.473 0.054 18953 10978 1 12 . 1 1 76 76 VAL N N 76 116.516 116.516 115.552 0.964 18953 10979 1 12 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.294 -0.384 18953 10980 1 12 . 1 1 76 76 VAL C C 76 175.906 175.906 175.421 0.485 18953 10981 1 12 . 1 1 76 76 VAL CA C 76 63.823 63.823 61.901 1.922 18953 10982 1 12 . 1 1 76 76 VAL CB C 76 32.705 32.705 33.075 -0.370 18953 10983 1 12 . 1 1 76 76 VAL H H 76 7.296 7.296 8.407 -1.111 18953 10984 1 12 . 1 1 77 77 ARG N N 77 120.435 120.435 119.723 0.712 18953 10985 1 12 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.415 -0.035 18953 10986 1 12 . 1 1 77 77 ARG C C 77 175.519 175.519 176.012 -0.493 18953 10987 1 12 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.276 -0.868 18953 10988 1 12 . 1 1 77 77 ARG CB C 77 34.212 34.212 31.821 2.391 18953 10989 1 12 . 1 1 77 77 ARG H H 77 8.923 8.923 8.572 0.351 18953 10990 1 12 . 1 1 78 78 SER N N 78 110.315 110.315 114.617 -4.302 18953 10991 1 12 . 1 1 78 78 SER HA H 78 4.533 4.533 5.375 -0.842 18953 10992 1 12 . 1 1 78 78 SER C C 78 177.603 177.603 172.712 4.891 18953 10993 1 12 . 1 1 78 78 SER CA C 78 59.512 59.512 56.727 2.785 18953 10994 1 12 . 1 1 78 78 SER CB C 78 65.883 65.883 66.220 -0.337 18953 10995 1 12 . 1 1 78 78 SER H H 78 8.100 8.100 8.066 0.034 18953 10996 1 12 . 1 1 79 79 CYS N N 79 112.901 112.901 116.982 -4.081 18953 10997 1 12 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.768 0.549 18953 10998 1 12 . 1 1 79 79 CYS C C 79 179.601 179.601 172.855 6.746 18953 10999 1 12 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.761 -1.282 18953 11000 1 12 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.029 0.321 18953 11001 1 12 . 1 1 79 79 CYS H H 79 9.438 9.438 9.332 0.106 18953 11002 1 12 . 1 1 80 80 ARG N N 80 122.877 122.877 121.859 1.018 18953 11003 1 12 . 1 1 80 80 ARG HA H 80 5.027 5.027 5.016 0.011 18953 11004 1 12 . 1 1 80 80 ARG C C 80 176.888 176.888 174.065 2.823 18953 11005 1 12 . 1 1 80 80 ARG CA C 80 54.686 54.686 55.178 -0.492 18953 11006 1 12 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.896 -0.210 18953 11007 1 12 . 1 1 80 80 ARG H H 80 10.005 10.005 9.467 0.538 18953 11008 1 12 . 1 1 81 81 MET N N 81 125.699 125.699 122.890 2.809 18953 11009 1 12 . 1 1 81 81 MET HA H 81 3.494 3.494 4.646 -1.152 18953 11010 1 12 . 1 1 81 81 MET C C 81 176.369 176.369 174.868 1.501 18953 11011 1 12 . 1 1 81 81 MET CA C 81 55.587 55.587 55.217 0.370 18953 11012 1 12 . 1 1 81 81 MET CB C 81 34.241 34.241 35.399 -1.158 18953 11013 1 12 . 1 1 81 81 MET H H 81 9.198 9.198 8.705 0.493 18953 11014 1 12 . 1 1 82 82 ILE N N 82 131.119 131.119 124.052 7.067 18953 11015 1 12 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.370 -0.336 18953 11016 1 12 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.147 0.703 18953 11017 1 12 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.568 0.625 18953 11018 1 12 . 1 1 82 82 ILE H H 82 7.744 7.744 8.197 -0.453 18953 11019 1 12 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.594 -0.393 18953 11020 1 12 . 1 1 83 83 PRO C C 83 176.434 176.434 176.909 -0.475 18953 11021 1 12 . 1 1 83 83 PRO CA C 83 62.426 62.426 62.345 0.081 18953 11022 1 12 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.425 -0.031 18953 11023 1 12 . 1 1 84 84 LEU N N 84 120.509 120.509 122.571 -2.062 18953 11024 1 12 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.521 -0.281 18953 11025 1 12 . 1 1 84 84 LEU C C 84 174.899 174.899 176.210 -1.311 18953 11026 1 12 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.552 -0.025 18953 11027 1 12 . 1 1 84 84 LEU CB C 84 41.560 41.560 39.558 2.002 18953 11028 1 12 . 1 1 84 84 LEU H H 84 7.873 7.873 8.498 -0.625 18953 11029 1 12 . 1 1 85 85 HIS N N 85 125.245 125.245 121.754 3.491 18953 11030 1 12 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.803 -0.219 18953 11031 1 12 . 1 1 85 85 HIS CA C 85 56.167 56.167 55.377 0.790 18953 11032 1 12 . 1 1 85 85 HIS CB C 85 32.644 32.644 31.250 1.394 18953 11033 1 12 . 1 1 85 85 HIS H H 85 8.600 8.600 7.958 0.642 18953 11034 1 12 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.462 0.299 18953 11035 1 12 . 1 1 86 86 HIS C C 86 177.250 177.250 173.646 3.604 18953 11036 1 12 . 1 1 86 86 HIS CA C 86 54.709 54.709 54.169 0.540 18953 11037 1 12 . 1 1 86 86 HIS CB C 86 29.670 29.670 30.951 -1.281 18953 11038 1 12 . 1 1 86 86 HIS H H 86 8.500 8.500 8.500 0.000 18953 11039 1 12 . 1 1 87 87 GLY N N 87 107.909 107.909 112.416 -4.507 18953 11040 1 12 . 1 1 87 87 GLY C C 87 178.627 178.627 173.832 4.795 18953 11041 1 12 . 1 1 87 87 GLY CA C 87 44.861 44.861 44.777 0.084 18953 11042 1 12 . 1 1 87 87 GLY H H 87 6.662 6.662 8.224 -1.562 18953 11043 1 12 . 1 1 88 88 SER N N 88 116.742 116.742 115.620 1.122 18953 11044 1 12 . 1 1 88 88 SER HA H 88 4.528 4.528 4.537 -0.009 18953 11045 1 12 . 1 1 88 88 SER C C 88 178.527 178.527 172.729 5.798 18953 11046 1 12 . 1 1 88 88 SER CA C 88 58.279 58.279 57.811 0.468 18953 11047 1 12 . 1 1 88 88 SER CB C 88 64.360 64.360 66.222 -1.862 18953 11048 1 12 . 1 1 88 88 SER H H 88 8.235 8.235 7.849 0.386 18953 11049 1 12 . 1 1 89 89 PHE N N 89 119.985 119.985 121.307 -1.322 18953 11050 1 12 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.063 -0.495 18953 11051 1 12 . 1 1 89 89 PHE C C 89 176.551 176.551 175.275 1.276 18953 11052 1 12 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.506 -0.771 18953 11053 1 12 . 1 1 89 89 PHE CB C 89 41.321 41.321 40.754 0.567 18953 11054 1 12 . 1 1 89 89 PHE H H 89 8.478 8.478 8.692 -0.214 18953 11055 1 12 . 1 1 90 90 LYS N N 90 122.179 122.179 128.608 -6.429 18953 11056 1 12 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.748 0.408 18953 11057 1 12 . 1 1 90 90 LYS C C 90 177.501 177.501 173.827 3.674 18953 11058 1 12 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.361 1.451 18953 11059 1 12 . 1 1 90 90 LYS CB C 90 35.701 35.701 35.773 -0.071 18953 11060 1 12 . 1 1 90 90 LYS H H 90 9.130 9.130 8.890 0.240 18953 11061 1 12 . 1 1 91 91 MET N N 91 127.037 127.037 125.708 1.329 18953 11062 1 12 . 1 1 91 91 MET HA H 91 4.835 4.835 4.854 -0.019 18953 11063 1 12 . 1 1 91 91 MET C C 91 179.276 179.276 173.922 5.354 18953 11064 1 12 . 1 1 91 91 MET CA C 91 54.527 54.527 53.755 0.772 18953 11065 1 12 . 1 1 91 91 MET CB C 91 36.920 36.920 36.586 0.334 18953 11066 1 12 . 1 1 91 91 MET H H 91 9.202 9.202 8.975 0.228 18953 11067 1 12 . 1 1 92 92 ARG N N 92 121.520 121.520 125.557 -4.037 18953 11068 1 12 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.654 0.214 18953 11069 1 12 . 1 1 92 92 ARG C C 92 177.432 177.432 174.927 2.505 18953 11070 1 12 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.214 -0.216 18953 11071 1 12 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.954 2.531 18953 11072 1 12 . 1 1 92 92 ARG H H 92 8.776 8.776 9.107 -0.331 18953 11073 1 12 . 1 1 93 93 LEU N N 93 124.749 124.749 124.949 -0.200 18953 11074 1 12 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.508 -0.233 18953 11075 1 12 . 1 1 93 93 LEU C C 93 176.662 176.662 175.095 1.567 18953 11076 1 12 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.843 -0.147 18953 11077 1 12 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.580 0.310 18953 11078 1 12 . 1 1 93 93 LEU H H 93 8.841 8.841 8.853 -0.012 18953 11079 1 12 . 1 1 94 94 TYR N N 94 116.673 116.673 120.343 -3.670 18953 11080 1 12 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.993 0.431 18953 11081 1 12 . 1 1 94 94 TYR C C 94 175.232 175.232 175.621 -0.389 18953 11082 1 12 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.055 0.006 18953 11083 1 12 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.869 -1.506 18953 11084 1 12 . 1 1 94 94 TYR H H 94 8.161 8.161 9.023 -0.862 18953 11085 1 12 . 1 1 95 95 GLU N N 95 121.556 121.556 123.611 -2.055 18953 11086 1 12 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.186 -0.152 18953 11087 1 12 . 1 1 95 95 GLU C C 95 174.587 174.587 176.024 -1.437 18953 11088 1 12 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.309 0.651 18953 11089 1 12 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.045 3.479 18953 11090 1 12 . 1 1 95 95 GLU H H 95 8.537 8.537 8.469 0.068 18953 11091 1 12 . 1 1 96 96 HIS N N 96 113.214 113.214 117.213 -3.999 18953 11092 1 12 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.797 0.509 18953 11093 1 12 . 1 1 96 96 HIS C C 96 175.830 175.830 175.532 0.298 18953 11094 1 12 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.658 -0.512 18953 11095 1 12 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.502 0.862 18953 11096 1 12 . 1 1 96 96 HIS H H 96 8.154 8.154 7.727 0.427 18953 11097 1 12 . 1 1 97 97 SER N N 97 115.997 115.997 116.169 -0.172 18953 11098 1 12 . 1 1 97 97 SER HA H 97 4.196 4.196 4.523 -0.327 18953 11099 1 12 . 1 1 97 97 SER C C 97 177.588 177.588 175.362 2.226 18953 11100 1 12 . 1 1 97 97 SER CA C 97 59.180 59.180 60.773 -1.593 18953 11101 1 12 . 1 1 97 97 SER CB C 97 63.740 63.740 63.802 -0.062 18953 11102 1 12 . 1 1 97 97 SER H H 97 8.728 8.728 8.790 -0.062 18953 11103 1 12 . 1 1 98 98 ASP N N 98 116.560 116.560 121.328 -4.768 18953 11104 1 12 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.261 -0.296 18953 11105 1 12 . 1 1 98 98 ASP C C 98 176.991 176.991 174.696 2.295 18953 11106 1 12 . 1 1 98 98 ASP CA C 98 56.873 56.873 57.212 -0.338 18953 11107 1 12 . 1 1 98 98 ASP CB C 98 39.514 39.514 40.339 -0.825 18953 11108 1 12 . 1 1 98 98 ASP H H 98 9.714 9.714 8.880 0.834 18953 11109 1 12 . 1 1 99 99 MET N N 99 112.109 112.109 120.033 -7.924 18953 11110 1 12 . 1 1 99 99 MET HA H 99 2.689 2.689 4.048 -1.359 18953 11111 1 12 . 1 1 99 99 MET C C 99 176.133 176.133 174.427 1.706 18953 11112 1 12 . 1 1 99 99 MET CA C 99 56.596 56.596 55.065 1.531 18953 11113 1 12 . 1 1 99 99 MET CB C 99 27.203 27.203 33.240 -6.037 18953 11114 1 12 . 1 1 99 99 MET H H 99 8.425 8.425 7.767 0.658 18953 11115 1 12 . 1 1 100 100 GLY N N 100 104.572 104.572 107.422 -2.850 18953 11116 1 12 . 1 1 100 100 GLY C C 100 177.855 177.855 173.900 3.955 18953 11117 1 12 . 1 1 100 100 GLY CA C 100 44.345 44.345 43.710 0.635 18953 11118 1 12 . 1 1 100 100 GLY H H 100 6.670 6.670 7.548 -0.878 18953 11119 1 12 . 1 1 101 101 GLY N N 101 105.792 105.792 107.380 -1.588 18953 11120 1 12 . 1 1 101 101 GLY C C 101 177.525 177.525 174.169 3.356 18953 11121 1 12 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.517 0.590 18953 11122 1 12 . 1 1 101 101 GLY H H 101 8.446 8.446 8.259 0.187 18953 11123 1 12 . 1 1 102 102 ARG N N 102 121.688 121.688 121.982 -0.294 18953 11124 1 12 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.284 -0.286 18953 11125 1 12 . 1 1 102 102 ARG C C 102 177.803 177.803 176.326 1.477 18953 11126 1 12 . 1 1 102 102 ARG CA C 102 58.368 58.368 55.379 2.989 18953 11127 1 12 . 1 1 102 102 ARG CB C 102 31.684 31.684 30.731 0.953 18953 11128 1 12 . 1 1 102 102 ARG H H 102 8.785 8.785 8.166 0.619 18953 11129 1 12 . 1 1 103 103 MET N N 103 122.371 122.371 123.232 -0.861 18953 11130 1 12 . 1 1 103 103 MET HA H 103 4.754 4.754 4.895 -0.141 18953 11131 1 12 . 1 1 103 103 MET C C 103 175.490 175.490 174.984 0.506 18953 11132 1 12 . 1 1 103 103 MET CA C 103 53.993 53.993 52.738 1.255 18953 11133 1 12 . 1 1 103 103 MET CB C 103 34.860 34.860 32.285 2.575 18953 11134 1 12 . 1 1 103 103 MET H H 103 7.905 7.905 8.235 -0.330 18953 11135 1 12 . 1 1 104 104 MET N N 104 127.629 127.629 122.329 5.300 18953 11136 1 12 . 1 1 104 104 MET HA H 104 4.318 4.318 4.594 -0.276 18953 11137 1 12 . 1 1 104 104 MET C C 104 177.870 177.870 174.901 2.969 18953 11138 1 12 . 1 1 104 104 MET CA C 104 54.080 54.080 53.412 0.668 18953 11139 1 12 . 1 1 104 104 MET CB C 104 35.315 35.315 33.664 1.651 18953 11140 1 12 . 1 1 104 104 MET H H 104 8.796 8.796 8.204 0.592 18953 11141 1 12 . 1 1 105 105 GLU N N 105 123.753 123.753 122.283 1.470 18953 11142 1 12 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.827 0.019 18953 11143 1 12 . 1 1 105 105 GLU C C 105 176.871 176.871 175.519 1.352 18953 11144 1 12 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.441 0.248 18953 11145 1 12 . 1 1 105 105 GLU CB C 105 33.515 33.515 30.792 2.723 18953 11146 1 12 . 1 1 105 105 GLU H H 105 8.467 8.467 8.410 0.057 18953 11147 1 12 . 1 1 106 106 LEU N N 106 125.076 125.076 126.502 -1.426 18953 11148 1 12 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.858 0.030 18953 11149 1 12 . 1 1 106 106 LEU C C 106 175.666 175.666 175.015 0.651 18953 11150 1 12 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.220 0.680 18953 11151 1 12 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.378 2.419 18953 11152 1 12 . 1 1 106 106 LEU H H 106 8.933 8.933 9.008 -0.075 18953 11153 1 12 . 1 1 107 107 MET N N 107 120.889 120.889 124.249 -3.360 18953 11154 1 12 . 1 1 107 107 MET HA H 107 5.152 5.152 4.880 0.272 18953 11155 1 12 . 1 1 107 107 MET C C 107 177.873 177.873 174.873 3.000 18953 11156 1 12 . 1 1 107 107 MET CA C 107 55.430 55.430 55.816 -0.386 18953 11157 1 12 . 1 1 107 107 MET CB C 107 35.107 35.107 33.908 1.199 18953 11158 1 12 . 1 1 107 107 MET H H 107 9.099 9.099 8.914 0.185 18953 11159 1 12 . 1 1 108 108 ASP N N 108 120.261 120.261 118.617 1.644 18953 11160 1 12 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.853 -0.404 18953 11161 1 12 . 1 1 108 108 ASP C C 108 178.998 178.998 174.085 4.913 18953 11162 1 12 . 1 1 108 108 ASP CA C 108 51.953 51.953 53.436 -1.483 18953 11163 1 12 . 1 1 108 108 ASP CB C 108 43.335 43.335 43.587 -0.252 18953 11164 1 12 . 1 1 108 108 ASP H H 108 7.874 7.874 7.896 -0.022 18953 11165 1 12 . 1 1 109 109 ASP N N 109 115.191 115.191 120.111 -4.920 18953 11166 1 12 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.692 0.146 18953 11167 1 12 . 1 1 109 109 ASP C C 109 174.768 174.768 175.208 -0.440 18953 11168 1 12 . 1 1 109 109 ASP CA C 109 55.106 55.106 54.041 1.065 18953 11169 1 12 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.484 -0.426 18953 11170 1 12 . 1 1 109 109 ASP H H 109 8.065 8.065 8.389 -0.324 18953 11171 1 12 . 1 1 110 110 CYS N N 110 120.716 120.716 123.931 -3.215 18953 11172 1 12 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.948 0.191 18953 11173 1 12 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.500 0.317 18953 11174 1 12 . 1 1 110 110 CYS CB C 110 29.730 29.730 29.027 0.703 18953 11175 1 12 . 1 1 110 110 CYS H H 110 9.583 9.583 8.506 1.077 18953 11176 1 12 . 1 1 111 111 PRO HA H 111 3.971 3.971 3.746 0.225 18953 11177 1 12 . 1 1 111 111 PRO CA C 111 64.144 64.144 63.965 0.179 18953 11178 1 12 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.182 -0.273 18953 11179 1 12 . 1 1 112 112 ASN N N 112 116.300 116.300 116.049 0.251 18953 11180 1 12 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.808 -0.033 18953 11181 1 12 . 1 1 112 112 ASN C C 112 175.948 175.948 175.112 0.836 18953 11182 1 12 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.373 1.748 18953 11183 1 12 . 1 1 112 112 ASN CB C 112 38.709 38.709 39.247 -0.538 18953 11184 1 12 . 1 1 112 112 ASN H H 112 7.385 7.385 7.800 -0.415 18953 11185 1 12 . 1 1 113 113 LEU N N 113 129.895 129.895 123.452 6.443 18953 11186 1 12 . 1 1 113 113 LEU HA H 113 4.157 4.157 3.789 0.368 18953 11187 1 12 . 1 1 113 113 LEU C C 113 173.709 173.709 177.835 -4.126 18953 11188 1 12 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.565 1.325 18953 11189 1 12 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.080 0.371 18953 11190 1 12 . 1 1 113 113 LEU H H 113 8.154 8.154 8.356 -0.202 18953 11191 1 12 . 1 1 114 114 MET N N 114 120.939 120.939 117.090 3.849 18953 11192 1 12 . 1 1 114 114 MET HA H 114 4.204 4.204 4.073 0.131 18953 11193 1 12 . 1 1 114 114 MET C C 114 171.942 171.942 178.396 -6.454 18953 11194 1 12 . 1 1 114 114 MET CA C 114 58.354 58.354 58.297 0.057 18953 11195 1 12 . 1 1 114 114 MET CB C 114 31.118 31.118 31.272 -0.154 18953 11196 1 12 . 1 1 114 114 MET H H 114 8.421 8.421 8.027 0.394 18953 11197 1 12 . 1 1 115 115 ASP N N 115 119.204 119.204 118.164 1.040 18953 11198 1 12 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.481 -0.208 18953 11199 1 12 . 1 1 115 115 ASP C C 115 174.228 174.228 177.998 -3.770 18953 11200 1 12 . 1 1 115 115 ASP CA C 115 56.737 56.737 56.055 0.682 18953 11201 1 12 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.758 -0.137 18953 11202 1 12 . 1 1 115 115 ASP H H 115 7.695 7.695 7.767 -0.072 18953 11203 1 12 . 1 1 116 116 ARG N N 116 116.937 116.937 119.188 -2.251 18953 11204 1 12 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.133 -0.075 18953 11205 1 12 . 1 1 116 116 ARG C C 116 174.084 174.084 177.714 -3.630 18953 11206 1 12 . 1 1 116 116 ARG CA C 116 57.839 57.839 57.525 0.314 18953 11207 1 12 . 1 1 116 116 ARG CB C 116 32.099 32.099 29.991 2.108 18953 11208 1 12 . 1 1 116 116 ARG H H 116 7.118 7.118 7.307 -0.189 18953 11209 1 12 . 1 1 117 117 PHE N N 117 113.914 113.914 114.445 -0.531 18953 11210 1 12 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.780 0.345 18953 11211 1 12 . 1 1 117 117 PHE C C 117 175.681 175.681 175.886 -0.205 18953 11212 1 12 . 1 1 117 117 PHE CA C 117 57.040 57.040 55.358 1.682 18953 11213 1 12 . 1 1 117 117 PHE CB C 117 41.881 41.881 38.925 2.956 18953 11214 1 12 . 1 1 117 117 PHE H H 117 8.641 8.641 7.437 1.204 18953 11215 1 12 . 1 1 118 118 ASN N N 118 117.137 117.137 118.404 -1.267 18953 11216 1 12 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.324 0.522 18953 11217 1 12 . 1 1 118 118 ASN C C 118 177.553 177.553 174.219 3.334 18953 11218 1 12 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.415 0.623 18953 11219 1 12 . 1 1 118 118 ASN CB C 118 38.049 38.049 37.594 0.454 18953 11220 1 12 . 1 1 118 118 ASN H H 118 8.478 8.478 7.999 0.479 18953 11221 1 12 . 1 1 119 119 MET N N 119 114.316 114.316 117.942 -3.626 18953 11222 1 12 . 1 1 119 119 MET HA H 119 4.386 4.386 4.655 -0.269 18953 11223 1 12 . 1 1 119 119 MET C C 119 178.321 178.321 173.570 4.751 18953 11224 1 12 . 1 1 119 119 MET CA C 119 55.950 55.950 54.997 0.953 18953 11225 1 12 . 1 1 119 119 MET CB C 119 37.233 37.233 34.578 2.655 18953 11226 1 12 . 1 1 119 119 MET H H 119 7.286 7.286 7.225 0.061 18953 11227 1 12 . 1 1 120 120 SER N N 120 111.310 111.310 119.250 -7.940 18953 11228 1 12 . 1 1 120 120 SER HA H 120 4.682 4.682 4.887 -0.205 18953 11229 1 12 . 1 1 120 120 SER C C 120 179.047 179.047 172.547 6.500 18953 11230 1 12 . 1 1 120 120 SER CA C 120 57.435 57.435 57.222 0.213 18953 11231 1 12 . 1 1 120 120 SER CB C 120 65.594 65.594 64.253 1.341 18953 11232 1 12 . 1 1 120 120 SER H H 120 8.361 8.361 8.336 0.025 18953 11233 1 12 . 1 1 121 121 ASP N N 121 120.422 120.422 121.749 -1.327 18953 11234 1 12 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.425 -0.343 18953 11235 1 12 . 1 1 121 121 ASP C C 121 177.532 177.532 175.083 2.449 18953 11236 1 12 . 1 1 121 121 ASP CA C 121 53.630 53.630 52.855 0.775 18953 11237 1 12 . 1 1 121 121 ASP CB C 121 43.513 43.513 40.769 2.744 18953 11238 1 12 . 1 1 121 121 ASP H H 121 6.829 6.829 7.444 -0.615 18953 11239 1 12 . 1 1 122 122 PHE N N 122 120.611 120.611 119.619 0.992 18953 11240 1 12 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.810 -0.115 18953 11241 1 12 . 1 1 122 122 PHE C C 122 177.316 177.316 176.632 0.684 18953 11242 1 12 . 1 1 122 122 PHE CA C 122 57.660 57.660 55.656 2.004 18953 11243 1 12 . 1 1 122 122 PHE CB C 122 40.871 40.871 40.524 0.347 18953 11244 1 12 . 1 1 122 122 PHE H H 122 8.376 8.376 8.365 0.011 18953 11245 1 12 . 1 1 123 123 HIS N N 123 116.193 116.193 120.565 -4.372 18953 11246 1 12 . 1 1 123 123 HIS HA H 123 4.765 4.765 5.324 -0.559 18953 11247 1 12 . 1 1 123 123 HIS C C 123 176.431 176.431 175.628 0.803 18953 11248 1 12 . 1 1 123 123 HIS CA C 123 57.604 57.604 55.500 2.104 18953 11249 1 12 . 1 1 123 123 HIS CB C 123 33.280 33.280 30.687 2.593 18953 11250 1 12 . 1 1 123 123 HIS H H 123 7.577 7.577 8.788 -1.211 18953 11251 1 12 . 1 1 124 124 SER N N 124 107.332 107.332 114.328 -6.996 18953 11252 1 12 . 1 1 124 124 SER HA H 124 4.698 4.698 5.268 -0.570 18953 11253 1 12 . 1 1 124 124 SER C C 124 178.179 178.179 172.401 5.778 18953 11254 1 12 . 1 1 124 124 SER CA C 124 59.556 59.556 57.755 1.802 18953 11255 1 12 . 1 1 124 124 SER CB C 124 65.667 65.667 65.380 0.287 18953 11256 1 12 . 1 1 124 124 SER H H 124 8.256 8.256 8.502 -0.246 18953 11257 1 12 . 1 1 125 125 CYS N N 125 113.874 113.874 122.411 -8.537 18953 11258 1 12 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.522 0.029 18953 11259 1 12 . 1 1 125 125 CYS C C 125 179.655 179.655 172.594 7.061 18953 11260 1 12 . 1 1 125 125 CYS CA C 125 57.871 57.871 58.062 -0.191 18953 11261 1 12 . 1 1 125 125 CYS CB C 125 30.586 30.586 30.981 -0.395 18953 11262 1 12 . 1 1 125 125 CYS H H 125 9.561 9.561 8.821 0.740 18953 11263 1 12 . 1 1 126 126 HIS N N 126 124.829 124.829 123.071 1.758 18953 11264 1 12 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.367 0.114 18953 11265 1 12 . 1 1 126 126 HIS C C 126 176.575 176.575 172.637 3.938 18953 11266 1 12 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.309 -2.002 18953 11267 1 12 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.910 1.214 18953 11268 1 12 . 1 1 126 126 HIS H H 126 9.858 9.858 9.059 0.799 18953 11269 1 12 . 1 1 127 127 VAL N N 127 128.620 128.620 125.973 2.647 18953 11270 1 12 . 1 1 127 127 VAL HA H 127 3.874 3.874 3.892 -0.018 18953 11271 1 12 . 1 1 127 127 VAL C C 127 176.660 176.660 174.483 2.177 18953 11272 1 12 . 1 1 127 127 VAL CA C 127 63.485 63.485 60.790 2.695 18953 11273 1 12 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.745 -2.746 18953 11274 1 12 . 1 1 127 127 VAL H H 127 9.408 9.408 8.226 1.182 18953 11275 1 12 . 1 1 128 128 MET N N 128 129.466 129.466 127.079 2.387 18953 11276 1 12 . 1 1 128 128 MET HA H 128 3.930 3.930 4.312 -0.382 18953 11277 1 12 . 1 1 128 128 MET C C 128 176.093 176.093 175.429 0.664 18953 11278 1 12 . 1 1 128 128 MET CA C 128 58.109 58.109 57.945 0.164 18953 11279 1 12 . 1 1 128 128 MET CB C 128 34.019 34.019 33.422 0.597 18953 11280 1 12 . 1 1 128 128 MET H H 128 7.906 7.906 8.547 -0.641 18953 11281 1 12 . 1 1 129 129 ASP N N 129 116.435 116.435 114.243 2.192 18953 11282 1 12 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.625 0.207 18953 11283 1 12 . 1 1 129 129 ASP C C 129 174.959 174.959 174.746 0.213 18953 11284 1 12 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.403 -0.223 18953 11285 1 12 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.918 2.213 18953 11286 1 12 . 1 1 129 129 ASP H H 129 8.349 8.349 7.474 0.875 18953 11287 1 12 . 1 1 130 130 GLY N N 130 113.062 113.062 107.956 5.106 18953 11288 1 12 . 1 1 130 130 GLY C C 130 183.642 183.642 172.143 11.499 18953 11289 1 12 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.681 -0.209 18953 11290 1 12 . 1 1 130 130 GLY H H 130 8.479 8.479 8.236 0.243 18953 11291 1 12 . 1 1 131 131 HIS N N 131 114.389 114.389 119.396 -5.007 18953 11292 1 12 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.927 0.075 18953 11293 1 12 . 1 1 131 131 HIS C C 131 176.470 176.470 173.338 3.132 18953 11294 1 12 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.424 0.894 18953 11295 1 12 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.655 1.380 18953 11296 1 12 . 1 1 131 131 HIS H H 131 6.228 6.228 8.232 -2.004 18953 11297 1 12 . 1 1 132 132 TRP N N 132 122.333 122.333 121.139 1.194 18953 11298 1 12 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.024 0.111 18953 11299 1 12 . 1 1 132 132 TRP C C 132 177.557 177.557 174.554 3.003 18953 11300 1 12 . 1 1 132 132 TRP CA C 132 56.896 56.896 55.780 1.116 18953 11301 1 12 . 1 1 132 132 TRP CB C 132 33.795 33.795 32.279 1.516 18953 11302 1 12 . 1 1 132 132 TRP H H 132 8.838 8.838 8.811 0.027 18953 11303 1 12 . 1 1 133 133 LEU N N 133 121.883 121.883 122.940 -1.057 18953 11304 1 12 . 1 1 133 133 LEU HA H 133 5.122 5.122 4.985 0.137 18953 11305 1 12 . 1 1 133 133 LEU C C 133 176.457 176.457 175.927 0.530 18953 11306 1 12 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.181 -0.645 18953 11307 1 12 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.530 3.040 18953 11308 1 12 . 1 1 133 133 LEU H H 133 9.403 9.403 9.168 0.235 18953 11309 1 12 . 1 1 134 134 VAL N N 134 123.013 123.013 123.007 0.006 18953 11310 1 12 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.520 0.039 18953 11311 1 12 . 1 1 134 134 VAL C C 134 177.780 177.780 174.829 2.951 18953 11312 1 12 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.189 -0.240 18953 11313 1 12 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.774 -0.685 18953 11314 1 12 . 1 1 134 134 VAL H H 134 8.948 8.948 9.145 -0.197 18953 11315 1 12 . 1 1 135 135 TYR N N 135 122.405 122.405 125.581 -3.176 18953 11316 1 12 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.801 0.739 18953 11317 1 12 . 1 1 135 135 TYR C C 135 172.456 172.456 176.012 -3.556 18953 11318 1 12 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.794 -0.797 18953 11319 1 12 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.316 -0.571 18953 11320 1 12 . 1 1 135 135 TYR H H 135 9.068 9.068 9.558 -0.490 18953 11321 1 12 . 1 1 136 136 GLU N N 136 121.335 121.335 124.539 -3.204 18953 11322 1 12 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.370 -0.267 18953 11323 1 12 . 1 1 136 136 GLU C C 136 176.022 176.022 176.765 -0.743 18953 11324 1 12 . 1 1 136 136 GLU CA C 136 59.896 59.896 58.963 0.933 18953 11325 1 12 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.536 2.391 18953 11326 1 12 . 1 1 136 136 GLU H H 136 9.360 9.360 8.328 1.032 18953 11327 1 12 . 1 1 137 137 GLN N N 137 111.530 111.530 116.099 -4.569 18953 11328 1 12 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.755 0.212 18953 11329 1 12 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.537 0.296 18953 11330 1 12 . 1 1 137 137 GLN CB C 137 29.142 29.142 31.680 -2.538 18953 11331 1 12 . 1 1 137 137 GLN H H 137 7.808 7.808 8.089 -0.281 18953 11332 1 12 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.083 0.059 18953 11333 1 12 . 1 1 138 138 PRO C C 138 176.607 176.607 177.117 -0.510 18953 11334 1 12 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.280 -0.819 18953 11335 1 12 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.633 0.561 18953 11336 1 12 . 1 1 139 139 ASN N N 139 113.240 113.240 117.588 -4.348 18953 11337 1 12 . 1 1 139 139 ASN HA H 139 3.356 3.356 4.033 -0.677 18953 11338 1 12 . 1 1 139 139 ASN C C 139 177.996 177.996 174.102 3.894 18953 11339 1 12 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.278 -0.031 18953 11340 1 12 . 1 1 139 139 ASN CB C 139 36.635 36.635 37.885 -1.250 18953 11341 1 12 . 1 1 139 139 ASN H H 139 9.683 9.683 8.033 1.650 18953 11342 1 12 . 1 1 140 140 TYR N N 140 113.289 113.289 110.401 2.888 18953 11343 1 12 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.064 -0.304 18953 11344 1 12 . 1 1 140 140 TYR C C 140 176.488 176.488 175.147 1.341 18953 11345 1 12 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.562 -3.265 18953 11346 1 12 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.986 -1.026 18953 11347 1 12 . 1 1 140 140 TYR H H 140 8.000 8.000 7.678 0.322 18953 11348 1 12 . 1 1 141 141 THR N N 141 108.766 108.766 108.538 0.228 18953 11349 1 12 . 1 1 141 141 THR HA H 141 4.697 4.697 4.968 -0.271 18953 11350 1 12 . 1 1 141 141 THR C C 141 178.578 178.578 173.774 4.804 18953 11351 1 12 . 1 1 141 141 THR CA C 141 60.128 60.128 60.438 -0.310 18953 11352 1 12 . 1 1 141 141 THR CB C 141 72.848 72.848 72.117 0.731 18953 11353 1 12 . 1 1 141 141 THR H H 141 6.280 6.280 8.157 -1.877 18953 11354 1 12 . 1 1 142 142 GLY N N 142 106.121 106.121 108.151 -2.030 18953 11355 1 12 . 1 1 142 142 GLY C C 142 177.117 177.117 173.386 3.731 18953 11356 1 12 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.601 -0.434 18953 11357 1 12 . 1 1 142 142 GLY H H 142 8.285 8.285 8.426 -0.141 18953 11358 1 12 . 1 1 143 143 ARG N N 143 120.212 120.212 121.357 -1.145 18953 11359 1 12 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.874 0.062 18953 11360 1 12 . 1 1 143 143 ARG C C 143 177.580 177.580 176.133 1.447 18953 11361 1 12 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.862 1.258 18953 11362 1 12 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.811 1.345 18953 11363 1 12 . 1 1 143 143 ARG H H 143 8.583 8.583 8.314 0.269 18953 11364 1 12 . 1 1 144 144 GLN N N 144 119.516 119.516 121.649 -2.133 18953 11365 1 12 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.793 0.098 18953 11366 1 12 . 1 1 144 144 GLN C C 144 176.985 176.985 175.088 1.897 18953 11367 1 12 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.711 -1.389 18953 11368 1 12 . 1 1 144 144 GLN CB C 144 32.645 32.645 29.849 2.796 18953 11369 1 12 . 1 1 144 144 GLN H H 144 7.552 7.552 7.972 -0.420 18953 11370 1 12 . 1 1 145 145 PHE N N 145 114.745 114.745 121.222 -6.477 18953 11371 1 12 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.997 -0.340 18953 11372 1 12 . 1 1 145 145 PHE C C 145 176.969 176.969 174.376 2.593 18953 11373 1 12 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.793 -0.887 18953 11374 1 12 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.988 -0.721 18953 11375 1 12 . 1 1 145 145 PHE H H 145 8.696 8.696 8.949 -0.253 18953 11376 1 12 . 1 1 146 146 TYR N N 146 124.271 124.271 125.540 -1.269 18953 11377 1 12 . 1 1 146 146 TYR HA H 146 5.274 5.274 5.027 0.246 18953 11378 1 12 . 1 1 146 146 TYR C C 146 176.212 176.212 174.607 1.605 18953 11379 1 12 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.605 -1.865 18953 11380 1 12 . 1 1 146 146 TYR CB C 146 38.234 38.234 39.114 -0.880 18953 11381 1 12 . 1 1 146 146 TYR H H 146 8.915 8.915 8.709 0.206 18953 11382 1 12 . 1 1 147 147 LEU N N 147 103.207 103.207 129.483 -26.276 18953 11383 1 12 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.791 -0.400 18953 11384 1 12 . 1 1 147 147 LEU C C 147 178.198 178.198 175.661 2.537 18953 11385 1 12 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.223 0.746 18953 11386 1 12 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.808 1.337 18953 11387 1 12 . 1 1 147 147 LEU H H 147 9.229 9.229 8.971 0.258 18953 11388 1 12 . 1 1 148 148 ARG N N 148 120.815 120.815 124.142 -3.327 18953 11389 1 12 . 1 1 148 148 ARG HA H 148 4.579 4.579 5.249 -0.670 18953 11390 1 12 . 1 1 148 148 ARG CA C 148 52.994 52.994 53.300 -0.306 18953 11391 1 12 . 1 1 148 148 ARG CB C 148 29.256 29.256 30.255 -0.999 18953 11392 1 12 . 1 1 148 148 ARG H H 148 6.955 6.955 9.600 -2.645 18953 11393 1 12 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.251 -0.065 18953 11394 1 12 . 1 1 149 149 PRO C C 149 175.154 175.154 177.221 -2.067 18953 11395 1 12 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.513 1.342 18953 11396 1 12 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.956 -0.319 18953 11397 1 12 . 1 1 150 150 GLY N N 150 111.695 111.695 108.741 2.954 18953 11398 1 12 . 1 1 150 150 GLY C C 150 179.740 179.740 172.202 7.538 18953 11399 1 12 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.486 0.127 18953 11400 1 12 . 1 1 150 150 GLY H H 150 8.965 8.965 7.843 1.122 18953 11401 1 12 . 1 1 151 151 GLU N N 151 118.822 118.822 120.297 -1.475 18953 11402 1 12 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.838 -0.515 18953 11403 1 12 . 1 1 151 151 GLU C C 151 176.078 176.078 175.211 0.867 18953 11404 1 12 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.658 0.895 18953 11405 1 12 . 1 1 151 151 GLU CB C 151 31.878 31.878 31.803 0.075 18953 11406 1 12 . 1 1 151 151 GLU H H 151 8.403 8.403 8.339 0.064 18953 11407 1 12 . 1 1 152 152 TYR N N 152 123.055 123.055 122.512 0.543 18953 11408 1 12 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.939 -0.199 18953 11409 1 12 . 1 1 152 152 TYR C C 152 176.413 176.413 176.010 0.403 18953 11410 1 12 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.396 -0.426 18953 11411 1 12 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.247 -2.473 18953 11412 1 12 . 1 1 152 152 TYR H H 152 8.859 8.859 9.495 -0.636 18953 11413 1 12 . 1 1 153 153 ARG N N 153 124.271 124.271 116.999 7.272 18953 11414 1 12 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.631 -0.615 18953 11415 1 12 . 1 1 153 153 ARG C C 153 176.727 176.727 175.454 1.273 18953 11416 1 12 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.886 4.318 18953 11417 1 12 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.136 -1.796 18953 11418 1 12 . 1 1 153 153 ARG H H 153 8.882 8.882 8.478 0.404 18953 11419 1 12 . 1 1 154 154 SER N N 154 111.500 111.500 113.314 -1.814 18953 11420 1 12 . 1 1 154 154 SER HA H 154 5.194 5.194 4.545 0.649 18953 11421 1 12 . 1 1 154 154 SER C C 154 176.379 176.379 173.580 2.799 18953 11422 1 12 . 1 1 154 154 SER CA C 154 56.894 56.894 56.895 -0.001 18953 11423 1 12 . 1 1 154 154 SER CB C 154 66.352 66.352 65.763 0.589 18953 11424 1 12 . 1 1 154 154 SER H H 154 8.070 8.070 7.727 0.343 18953 11425 1 12 . 1 1 155 155 TYR N N 155 119.386 119.386 121.216 -1.830 18953 11426 1 12 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.282 -2.119 18953 11427 1 12 . 1 1 155 155 TYR C C 155 174.639 174.639 176.684 -2.045 18953 11428 1 12 . 1 1 155 155 TYR CA C 155 57.369 57.369 60.551 -3.182 18953 11429 1 12 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.496 0.902 18953 11430 1 12 . 1 1 155 155 TYR H H 155 7.638 7.638 7.588 0.050 18953 11431 1 12 . 1 1 156 156 ASN N N 156 119.038 119.038 114.443 4.595 18953 11432 1 12 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.393 -0.273 18953 11433 1 12 . 1 1 156 156 ASN C C 156 172.889 172.889 175.382 -2.493 18953 11434 1 12 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.722 1.874 18953 11435 1 12 . 1 1 156 156 ASN CB C 156 38.621 38.621 38.065 0.556 18953 11436 1 12 . 1 1 156 156 ASN H H 156 6.819 6.819 7.857 -1.038 18953 11437 1 12 . 1 1 157 157 ASP N N 157 118.338 118.338 121.167 -2.829 18953 11438 1 12 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.522 0.059 18953 11439 1 12 . 1 1 157 157 ASP C C 157 173.908 173.908 177.430 -3.522 18953 11440 1 12 . 1 1 157 157 ASP CA C 157 57.382 57.382 57.234 0.148 18953 11441 1 12 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.259 0.368 18953 11442 1 12 . 1 1 157 157 ASP H H 157 7.791 7.791 7.715 0.076 18953 11443 1 12 . 1 1 158 158 TRP N N 158 114.610 114.610 118.754 -4.144 18953 11444 1 12 . 1 1 158 158 TRP HA H 158 5.334 5.334 5.000 0.334 18953 11445 1 12 . 1 1 158 158 TRP C C 158 175.711 175.711 176.807 -1.096 18953 11446 1 12 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.854 0.215 18953 11447 1 12 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.728 -0.609 18953 11448 1 12 . 1 1 158 158 TRP H H 158 7.000 7.000 7.026 -0.026 18953 11449 1 12 . 1 1 159 159 GLY N N 159 108.647 108.647 108.411 0.236 18953 11450 1 12 . 1 1 159 159 GLY C C 159 175.991 175.991 174.214 1.777 18953 11451 1 12 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.425 0.307 18953 11452 1 12 . 1 1 159 159 GLY H H 159 7.588 7.588 7.791 -0.203 18953 11453 1 12 . 1 1 160 160 GLY N N 160 107.348 107.348 106.770 0.578 18953 11454 1 12 . 1 1 160 160 GLY C C 160 178.604 178.604 172.909 5.695 18953 11455 1 12 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.621 1.735 18953 11456 1 12 . 1 1 160 160 GLY H H 160 7.326 7.326 7.754 -0.428 18953 11457 1 12 . 1 1 161 161 VAL N N 161 118.047 118.047 116.293 1.754 18953 11458 1 12 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.112 0.140 18953 11459 1 12 . 1 1 161 161 VAL C C 161 175.118 175.118 175.221 -0.103 18953 11460 1 12 . 1 1 161 161 VAL CA C 161 63.303 63.303 63.199 0.104 18953 11461 1 12 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.422 -0.587 18953 11462 1 12 . 1 1 161 161 VAL H H 161 8.697 8.697 8.366 0.331 18953 11463 1 12 . 1 1 162 162 THR N N 162 111.630 111.630 110.078 1.552 18953 11464 1 12 . 1 1 162 162 THR HA H 162 3.659 3.659 4.076 -0.417 18953 11465 1 12 . 1 1 162 162 THR C C 162 179.191 179.191 174.056 5.135 18953 11466 1 12 . 1 1 162 162 THR CA C 162 59.431 59.431 60.148 -0.717 18953 11467 1 12 . 1 1 162 162 THR CB C 162 71.935 71.935 71.596 0.339 18953 11468 1 12 . 1 1 162 162 THR H H 162 7.864 7.864 7.514 0.350 18953 11469 1 12 . 1 1 163 163 SER N N 163 112.275 112.275 113.991 -1.716 18953 11470 1 12 . 1 1 163 163 SER HA H 163 4.018 4.018 4.731 -0.713 18953 11471 1 12 . 1 1 163 163 SER C C 163 178.307 178.307 173.652 4.655 18953 11472 1 12 . 1 1 163 163 SER CA C 163 57.968 57.968 58.157 -0.189 18953 11473 1 12 . 1 1 163 163 SER CB C 163 63.093 63.093 64.685 -1.592 18953 11474 1 12 . 1 1 163 163 SER H H 163 7.502 7.502 8.497 -0.995 18953 11475 1 12 . 1 1 164 164 ARG N N 164 122.770 122.770 125.513 -2.743 18953 11476 1 12 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.644 -0.219 18953 11477 1 12 . 1 1 164 164 ARG C C 164 175.003 175.003 175.057 -0.054 18953 11478 1 12 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.786 0.351 18953 11479 1 12 . 1 1 164 164 ARG CB C 164 30.453 30.453 29.291 1.162 18953 11480 1 12 . 1 1 164 164 ARG H H 164 7.578 7.578 7.580 -0.002 18953 11481 1 12 . 1 1 165 165 MET N N 165 122.454 122.454 124.056 -1.602 18953 11482 1 12 . 1 1 165 165 MET HA H 165 4.620 4.620 4.998 -0.378 18953 11483 1 12 . 1 1 165 165 MET C C 165 177.244 177.244 175.315 1.929 18953 11484 1 12 . 1 1 165 165 MET CA C 165 56.192 56.192 55.231 0.961 18953 11485 1 12 . 1 1 165 165 MET CB C 165 37.269 37.269 34.168 3.101 18953 11486 1 12 . 1 1 165 165 MET H H 165 8.480 8.480 8.956 -0.476 18953 11487 1 12 . 1 1 166 166 GLY N N 166 107.987 107.987 109.701 -1.714 18953 11488 1 12 . 1 1 166 166 GLY C C 166 177.648 177.648 173.241 4.407 18953 11489 1 12 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.600 1.092 18953 11490 1 12 . 1 1 166 166 GLY H H 166 9.046 9.046 8.672 0.374 18953 11491 1 12 . 1 1 167 167 SER N N 167 113.024 113.024 115.827 -2.803 18953 11492 1 12 . 1 1 167 167 SER HA H 167 4.562 4.562 5.660 -1.098 18953 11493 1 12 . 1 1 167 167 SER C C 167 179.104 179.104 172.716 6.388 18953 11494 1 12 . 1 1 167 167 SER CA C 167 58.729 58.729 55.992 2.737 18953 11495 1 12 . 1 1 167 167 SER CB C 167 64.816 64.816 65.432 -0.616 18953 11496 1 12 . 1 1 167 167 SER H H 167 8.257 8.257 7.915 0.342 18953 11497 1 12 . 1 1 168 168 ILE N N 168 118.927 118.927 122.295 -3.368 18953 11498 1 12 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.091 0.417 18953 11499 1 12 . 1 1 168 168 ILE C C 168 177.783 177.783 173.963 3.820 18953 11500 1 12 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.788 0.373 18953 11501 1 12 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.120 1.090 18953 11502 1 12 . 1 1 168 168 ILE H H 168 8.922 8.922 8.997 -0.075 18953 11503 1 12 . 1 1 169 169 ARG N N 169 124.820 124.820 124.926 -0.106 18953 11504 1 12 . 1 1 169 169 ARG HA H 169 5.045 5.045 5.160 -0.115 18953 11505 1 12 . 1 1 169 169 ARG C C 169 177.350 177.350 174.260 3.090 18953 11506 1 12 . 1 1 169 169 ARG CA C 169 54.185 54.185 53.782 0.403 18953 11507 1 12 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.573 0.418 18953 11508 1 12 . 1 1 169 169 ARG H H 169 9.757 9.757 9.225 0.532 18953 11509 1 12 . 1 1 170 170 ARG N N 170 122.951 122.951 125.497 -2.546 18953 11510 1 12 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.789 -0.524 18953 11511 1 12 . 1 1 170 170 ARG C C 170 174.373 174.373 175.226 -0.853 18953 11512 1 12 . 1 1 170 170 ARG CA C 170 55.170 55.170 53.765 1.405 18953 11513 1 12 . 1 1 170 170 ARG CB C 170 30.150 30.150 28.318 1.832 18953 11514 1 12 . 1 1 170 170 ARG H H 170 8.552 8.552 8.472 0.080 18953 11515 1 12 . 1 1 171 171 ILE N N 171 123.280 123.280 125.182 -1.902 18953 11516 1 12 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.722 0.080 18953 11517 1 12 . 1 1 171 171 ILE C C 171 177.088 177.088 175.295 1.793 18953 11518 1 12 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.408 0.153 18953 11519 1 12 . 1 1 171 171 ILE CB C 171 36.326 36.326 37.348 -1.022 18953 11520 1 12 . 1 1 171 171 ILE H H 171 8.424 8.424 7.989 0.435 18953 11521 1 12 . 1 1 172 172 THR N N 172 117.270 117.270 121.980 -4.710 18953 11522 1 12 . 1 1 172 172 THR HA H 172 4.558 4.558 4.432 0.126 18953 11523 1 12 . 1 1 172 172 THR C C 172 177.651 177.651 172.835 4.816 18953 11524 1 12 . 1 1 172 172 THR CA C 172 60.095 60.095 61.167 -1.072 18953 11525 1 12 . 1 1 172 172 THR CB C 172 70.040 70.040 68.544 1.496 18953 11526 1 12 . 1 1 172 172 THR H H 172 7.299 7.299 7.802 -0.503 18953 11527 1 12 . 1 1 173 173 ASP N N 173 121.598 121.598 121.517 0.081 18953 11528 1 12 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.584 -0.139 18953 11529 1 12 . 1 1 173 173 ASP C C 173 177.041 177.041 175.996 1.045 18953 11530 1 12 . 1 1 173 173 ASP CA C 173 55.010 55.010 54.232 0.778 18953 11531 1 12 . 1 1 173 173 ASP CB C 173 41.524 41.524 40.290 1.234 18953 11532 1 12 . 1 1 173 173 ASP H H 173 8.477 8.477 8.009 0.468 18953 11533 1 13 . 1 1 2 2 GLY C C 2 182.782 182.782 172.642 10.140 18953 11534 1 13 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.375 -1.828 18953 11535 1 13 . 1 1 3 3 LYS N N 3 120.153 120.153 121.294 -1.141 18953 11536 1 13 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.428 0.587 18953 11537 1 13 . 1 1 3 3 LYS C C 3 179.140 179.140 174.193 4.947 18953 11538 1 13 . 1 1 3 3 LYS CA C 3 57.310 57.310 56.310 1.000 18953 11539 1 13 . 1 1 3 3 LYS CB C 3 35.698 35.698 35.873 -0.175 18953 11540 1 13 . 1 1 3 3 LYS H H 3 8.398 8.398 8.172 0.226 18953 11541 1 13 . 1 1 4 4 ILE N N 4 129.769 129.769 124.049 5.720 18953 11542 1 13 . 1 1 4 4 ILE HA H 4 4.606 4.606 5.092 -0.486 18953 11543 1 13 . 1 1 4 4 ILE C C 4 180.618 180.618 174.461 6.157 18953 11544 1 13 . 1 1 4 4 ILE CA C 4 58.400 58.400 59.697 -1.297 18953 11545 1 13 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.610 -0.591 18953 11546 1 13 . 1 1 4 4 ILE H H 4 8.871 8.871 8.476 0.395 18953 11547 1 13 . 1 1 5 5 ILE N N 5 125.103 125.103 125.481 -0.378 18953 11548 1 13 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.902 -0.394 18953 11549 1 13 . 1 1 5 5 ILE C C 5 177.516 177.516 175.364 2.152 18953 11550 1 13 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.871 0.958 18953 11551 1 13 . 1 1 5 5 ILE CB C 5 40.417 40.417 39.997 0.420 18953 11552 1 13 . 1 1 5 5 ILE H H 5 8.788 8.788 8.927 -0.139 18953 11553 1 13 . 1 1 6 6 PHE N N 6 125.558 125.558 126.566 -1.008 18953 11554 1 13 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.883 -0.260 18953 11555 1 13 . 1 1 6 6 PHE C C 6 176.512 176.512 174.709 1.803 18953 11556 1 13 . 1 1 6 6 PHE CA C 6 57.219 57.219 56.638 0.582 18953 11557 1 13 . 1 1 6 6 PHE CB C 6 41.483 41.483 40.589 0.894 18953 11558 1 13 . 1 1 6 6 PHE H H 6 8.540 8.540 9.379 -0.839 18953 11559 1 13 . 1 1 7 7 TYR N N 7 120.647 120.647 121.833 -1.186 18953 11560 1 13 . 1 1 7 7 TYR HA H 7 5.171 5.171 5.067 0.104 18953 11561 1 13 . 1 1 7 7 TYR C C 7 173.898 173.898 175.842 -1.944 18953 11562 1 13 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.152 0.294 18953 11563 1 13 . 1 1 7 7 TYR CB C 7 39.310 39.310 41.685 -2.375 18953 11564 1 13 . 1 1 7 7 TYR H H 7 8.889 8.889 9.358 -0.469 18953 11565 1 13 . 1 1 8 8 GLU N N 8 122.007 122.007 123.058 -1.051 18953 11566 1 13 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.122 0.059 18953 11567 1 13 . 1 1 8 8 GLU C C 8 174.881 174.881 176.480 -1.599 18953 11568 1 13 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.337 1.729 18953 11569 1 13 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.492 1.560 18953 11570 1 13 . 1 1 8 8 GLU H H 8 8.756 8.756 8.454 0.302 18953 11571 1 13 . 1 1 9 9 ASP N N 9 114.203 114.203 118.552 -4.349 18953 11572 1 13 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.608 0.614 18953 11573 1 13 . 1 1 9 9 ASP CA C 9 52.366 52.366 53.367 -1.001 18953 11574 1 13 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.209 1.227 18953 11575 1 13 . 1 1 9 9 ASP H H 9 7.977 7.977 8.151 -0.174 18953 11576 1 13 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.328 -1.209 18953 11577 1 13 . 1 1 11 11 ASN CA C 11 56.660 56.660 54.963 1.697 18953 11578 1 13 . 1 1 11 11 ASN CB C 11 35.050 35.050 38.886 -3.836 18953 11579 1 13 . 1 1 13 13 GLY C C 13 178.281 178.281 173.519 4.762 18953 11580 1 13 . 1 1 13 13 GLY CA C 13 44.446 44.446 43.525 0.921 18953 11581 1 13 . 1 1 14 14 GLY N N 14 105.348 105.348 106.422 -1.074 18953 11582 1 13 . 1 1 14 14 GLY C C 14 176.463 176.463 173.722 2.741 18953 11583 1 13 . 1 1 14 14 GLY CA C 14 45.111 45.111 44.811 0.300 18953 11584 1 13 . 1 1 14 14 GLY H H 14 8.261 8.261 8.234 0.027 18953 11585 1 13 . 1 1 15 15 ARG N N 15 119.637 119.637 124.870 -5.233 18953 11586 1 13 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.325 -0.114 18953 11587 1 13 . 1 1 15 15 ARG C C 15 176.574 176.574 176.225 0.349 18953 11588 1 13 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.487 0.845 18953 11589 1 13 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.549 0.863 18953 11590 1 13 . 1 1 15 15 ARG H H 15 8.579 8.579 8.423 0.156 18953 11591 1 13 . 1 1 16 16 TYR N N 16 114.846 114.846 124.702 -9.856 18953 11592 1 13 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.236 0.622 18953 11593 1 13 . 1 1 16 16 TYR C C 16 176.510 176.510 174.686 1.824 18953 11594 1 13 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.953 -0.340 18953 11595 1 13 . 1 1 16 16 TYR CB C 16 42.418 42.418 39.917 2.501 18953 11596 1 13 . 1 1 16 16 TYR H H 16 7.617 7.617 8.128 -0.511 18953 11597 1 13 . 1 1 17 17 HIS N N 17 118.443 118.443 122.491 -4.048 18953 11598 1 13 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.797 0.013 18953 11599 1 13 . 1 1 17 17 HIS C C 17 177.970 177.970 173.518 4.452 18953 11600 1 13 . 1 1 17 17 HIS CA C 17 55.562 55.562 54.952 0.610 18953 11601 1 13 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.308 0.296 18953 11602 1 13 . 1 1 17 17 HIS H H 17 8.785 8.785 8.961 -0.176 18953 11603 1 13 . 1 1 18 18 GLU N N 18 126.223 126.223 126.018 0.205 18953 11604 1 13 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.850 -0.012 18953 11605 1 13 . 1 1 18 18 GLU C C 18 176.504 176.504 175.131 1.373 18953 11606 1 13 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.105 -0.006 18953 11607 1 13 . 1 1 18 18 GLU CB C 18 32.122 32.122 29.784 2.338 18953 11608 1 13 . 1 1 18 18 GLU H H 18 8.529 8.529 8.395 0.134 18953 11609 1 13 . 1 1 19 19 CYS N N 19 121.383 121.383 124.883 -3.500 18953 11610 1 13 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.621 0.036 18953 11611 1 13 . 1 1 19 19 CYS C C 19 178.018 178.018 174.371 3.647 18953 11612 1 13 . 1 1 19 19 CYS CA C 19 58.777 58.777 57.648 1.129 18953 11613 1 13 . 1 1 19 19 CYS CB C 19 29.812 29.812 30.490 -0.678 18953 11614 1 13 . 1 1 19 19 CYS H H 19 9.163 9.163 9.014 0.149 18953 11615 1 13 . 1 1 20 20 MET N N 20 126.877 126.877 118.741 8.136 18953 11616 1 13 . 1 1 20 20 MET HA H 20 5.295 5.295 4.703 0.592 18953 11617 1 13 . 1 1 20 20 MET C C 20 176.776 176.776 174.875 1.901 18953 11618 1 13 . 1 1 20 20 MET CA C 20 55.260 55.260 55.424 -0.164 18953 11619 1 13 . 1 1 20 20 MET CB C 20 33.370 33.370 33.410 -0.040 18953 11620 1 13 . 1 1 20 20 MET H H 20 8.995 8.995 8.650 0.345 18953 11621 1 13 . 1 1 21 21 SER N N 21 179.042 179.042 116.504 62.538 18953 11622 1 13 . 1 1 21 21 SER HA H 21 4.658 4.658 4.781 -0.123 18953 11623 1 13 . 1 1 21 21 SER C C 21 179.042 179.042 173.185 5.857 18953 11624 1 13 . 1 1 21 21 SER CA C 21 57.586 57.586 56.587 0.999 18953 11625 1 13 . 1 1 21 21 SER CB C 21 65.782 65.782 65.560 0.222 18953 11626 1 13 . 1 1 21 21 SER H H 21 7.990 7.990 7.659 0.331 18953 11627 1 13 . 1 1 22 22 ASP N N 22 117.203 117.203 122.061 -4.858 18953 11628 1 13 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.712 0.239 18953 11629 1 13 . 1 1 22 22 ASP C C 22 173.564 173.564 175.574 -2.010 18953 11630 1 13 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.569 0.902 18953 11631 1 13 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.929 0.890 18953 11632 1 13 . 1 1 22 22 ASP H H 22 8.317 8.317 8.500 -0.183 18953 11633 1 13 . 1 1 23 23 CYS N N 23 121.308 121.308 121.362 -0.054 18953 11634 1 13 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.780 0.011 18953 11635 1 13 . 1 1 23 23 CYS C C 23 177.265 177.265 174.431 2.834 18953 11636 1 13 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.479 2.484 18953 11637 1 13 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.522 -1.110 18953 11638 1 13 . 1 1 23 23 CYS H H 23 9.410 9.410 8.629 0.781 18953 11639 1 13 . 1 1 24 24 ALA N N 24 131.693 131.693 128.731 2.962 18953 11640 1 13 . 1 1 24 24 ALA HA H 24 3.522 3.522 4.038 -0.516 18953 11641 1 13 . 1 1 24 24 ALA C C 24 175.455 175.455 175.837 -0.382 18953 11642 1 13 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.821 1.793 18953 11643 1 13 . 1 1 24 24 ALA CB C 24 19.175 19.175 19.211 -0.036 18953 11644 1 13 . 1 1 24 24 ALA H H 24 9.210 9.210 8.859 0.351 18953 11645 1 13 . 1 1 25 25 ASP N N 25 113.873 113.873 117.177 -3.304 18953 11646 1 13 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.890 0.005 18953 11647 1 13 . 1 1 25 25 ASP C C 25 174.970 174.970 175.466 -0.496 18953 11648 1 13 . 1 1 25 25 ASP CA C 25 53.920 53.920 52.746 1.174 18953 11649 1 13 . 1 1 25 25 ASP CB C 25 40.564 40.564 40.800 -0.236 18953 11650 1 13 . 1 1 25 25 ASP H H 25 7.524 7.524 7.537 -0.013 18953 11651 1 13 . 1 1 26 26 LEU N N 26 127.166 127.166 122.572 4.594 18953 11652 1 13 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.264 -0.265 18953 11653 1 13 . 1 1 26 26 LEU C C 26 173.727 173.727 177.078 -3.351 18953 11654 1 13 . 1 1 26 26 LEU CA C 26 56.151 56.151 55.201 0.950 18953 11655 1 13 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.314 0.045 18953 11656 1 13 . 1 1 26 26 LEU H H 26 8.495 8.495 8.859 -0.364 18953 11657 1 13 . 1 1 27 27 HIS N N 27 118.732 118.732 119.306 -0.574 18953 11658 1 13 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.263 0.274 18953 11659 1 13 . 1 1 27 27 HIS C C 27 175.667 175.667 175.686 -0.019 18953 11660 1 13 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.204 -1.411 18953 11661 1 13 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.321 -1.283 18953 11662 1 13 . 1 1 27 27 HIS H H 27 8.446 8.446 8.113 0.333 18953 11663 1 13 . 1 1 28 28 SER N N 28 112.598 112.598 113.786 -1.188 18953 11664 1 13 . 1 1 28 28 SER HA H 28 3.792 3.792 4.158 -0.366 18953 11665 1 13 . 1 1 28 28 SER C C 28 177.551 177.551 176.190 1.361 18953 11666 1 13 . 1 1 28 28 SER CA C 28 60.406 60.406 60.391 0.015 18953 11667 1 13 . 1 1 28 28 SER CB C 28 62.814 62.814 62.777 0.037 18953 11668 1 13 . 1 1 28 28 SER H H 28 7.237 7.237 7.893 -0.656 18953 11669 1 13 . 1 1 29 29 TYR N N 29 118.301 118.301 120.815 -2.514 18953 11670 1 13 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.048 0.254 18953 11671 1 13 . 1 1 29 29 TYR C C 29 176.283 176.283 176.305 -0.022 18953 11672 1 13 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.620 -1.952 18953 11673 1 13 . 1 1 29 29 TYR CB C 29 39.471 39.471 38.717 0.754 18953 11674 1 13 . 1 1 29 29 TYR H H 29 7.224 7.224 7.560 -0.336 18953 11675 1 13 . 1 1 30 30 PHE N N 30 112.713 112.713 110.731 1.982 18953 11676 1 13 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.700 -0.018 18953 11677 1 13 . 1 1 30 30 PHE C C 30 177.785 177.785 174.401 3.384 18953 11678 1 13 . 1 1 30 30 PHE CA C 30 55.924 55.924 55.717 0.207 18953 11679 1 13 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.005 -0.261 18953 11680 1 13 . 1 1 30 30 PHE H H 30 7.173 7.173 7.741 -0.568 18953 11681 1 13 . 1 1 31 31 ASN N N 31 115.959 115.959 120.039 -4.080 18953 11682 1 13 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.359 0.351 18953 11683 1 13 . 1 1 31 31 ASN C C 31 176.537 176.537 174.258 2.279 18953 11684 1 13 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.427 0.124 18953 11685 1 13 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.309 0.747 18953 11686 1 13 . 1 1 31 31 ASN H H 31 8.918 8.918 8.685 0.233 18953 11687 1 13 . 1 1 32 32 ARG N N 32 117.693 117.693 116.564 1.129 18953 11688 1 13 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.540 0.087 18953 11689 1 13 . 1 1 32 32 ARG C C 32 178.177 178.177 173.473 4.704 18953 11690 1 13 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.889 -0.733 18953 11691 1 13 . 1 1 32 32 ARG CB C 32 33.091 33.091 32.874 0.217 18953 11692 1 13 . 1 1 32 32 ARG H H 32 7.893 7.893 7.919 -0.026 18953 11693 1 13 . 1 1 33 33 CYS N N 33 119.494 119.494 122.188 -2.694 18953 11694 1 13 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.715 0.237 18953 11695 1 13 . 1 1 33 33 CYS C C 33 176.223 176.223 172.922 3.301 18953 11696 1 13 . 1 1 33 33 CYS CA C 33 58.307 58.307 58.181 0.126 18953 11697 1 13 . 1 1 33 33 CYS CB C 33 28.751 28.751 30.422 -1.671 18953 11698 1 13 . 1 1 33 33 CYS H H 33 8.161 8.161 8.647 -0.486 18953 11699 1 13 . 1 1 34 34 HIS N N 34 126.786 126.786 123.446 3.340 18953 11700 1 13 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.471 0.551 18953 11701 1 13 . 1 1 34 34 HIS C C 34 176.224 176.224 174.246 1.978 18953 11702 1 13 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.860 -0.162 18953 11703 1 13 . 1 1 34 34 HIS CB C 34 33.309 33.309 32.380 0.929 18953 11704 1 13 . 1 1 34 34 HIS H H 34 8.325 8.325 8.570 -0.245 18953 11705 1 13 . 1 1 35 35 SER N N 35 113.132 113.132 114.394 -1.262 18953 11706 1 13 . 1 1 35 35 SER HA H 35 5.264 5.264 5.281 -0.017 18953 11707 1 13 . 1 1 35 35 SER C C 35 179.093 179.093 172.573 6.520 18953 11708 1 13 . 1 1 35 35 SER CA C 35 59.951 59.951 56.644 3.307 18953 11709 1 13 . 1 1 35 35 SER CB C 35 65.754 65.754 64.675 1.079 18953 11710 1 13 . 1 1 35 35 SER H H 35 8.489 8.489 8.073 0.416 18953 11711 1 13 . 1 1 36 36 ILE N N 36 119.607 119.607 124.905 -5.298 18953 11712 1 13 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.204 1.165 18953 11713 1 13 . 1 1 36 36 ILE C C 36 176.313 176.313 173.820 2.493 18953 11714 1 13 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.130 0.363 18953 11715 1 13 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.299 3.471 18953 11716 1 13 . 1 1 36 36 ILE H H 36 8.579 8.579 8.826 -0.247 18953 11717 1 13 . 1 1 37 37 ARG N N 37 126.328 126.328 125.524 0.804 18953 11718 1 13 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.812 0.147 18953 11719 1 13 . 1 1 37 37 ARG C C 37 176.785 176.785 174.111 2.674 18953 11720 1 13 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.221 0.893 18953 11721 1 13 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.621 0.713 18953 11722 1 13 . 1 1 37 37 ARG H H 37 9.342 9.342 8.455 0.887 18953 11723 1 13 . 1 1 38 38 VAL N N 38 125.466 125.466 127.641 -2.175 18953 11724 1 13 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.437 -0.113 18953 11725 1 13 . 1 1 38 38 VAL C C 38 175.196 175.196 175.281 -0.085 18953 11726 1 13 . 1 1 38 38 VAL CA C 38 62.436 62.436 62.095 0.341 18953 11727 1 13 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.890 -1.216 18953 11728 1 13 . 1 1 38 38 VAL H H 38 9.122 9.122 9.106 0.016 18953 11729 1 13 . 1 1 39 39 GLU N N 39 128.582 128.582 128.875 -0.293 18953 11730 1 13 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.217 -0.133 18953 11731 1 13 . 1 1 39 39 GLU C C 39 175.200 175.200 175.934 -0.734 18953 11732 1 13 . 1 1 39 39 GLU CA C 39 58.498 58.498 57.268 1.230 18953 11733 1 13 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.725 1.105 18953 11734 1 13 . 1 1 39 39 GLU H H 39 8.258 8.258 9.048 -0.790 18953 11735 1 13 . 1 1 40 40 SER N N 40 108.412 108.412 112.061 -3.649 18953 11736 1 13 . 1 1 40 40 SER HA H 40 4.343 4.343 4.575 -0.232 18953 11737 1 13 . 1 1 40 40 SER C C 40 178.000 178.000 172.954 5.046 18953 11738 1 13 . 1 1 40 40 SER CA C 40 57.623 57.623 58.233 -0.610 18953 11739 1 13 . 1 1 40 40 SER CB C 40 64.539 64.539 65.527 -0.988 18953 11740 1 13 . 1 1 40 40 SER H H 40 7.753 7.753 7.520 0.233 18953 11741 1 13 . 1 1 41 41 GLY N N 41 109.451 109.451 111.868 -2.417 18953 11742 1 13 . 1 1 41 41 GLY C C 41 179.855 179.855 172.261 7.594 18953 11743 1 13 . 1 1 41 41 GLY CA C 41 44.884 44.884 44.922 -0.038 18953 11744 1 13 . 1 1 41 41 GLY H H 41 8.714 8.714 8.565 0.149 18953 11745 1 13 . 1 1 42 42 CYS N N 42 112.295 112.295 120.018 -7.723 18953 11746 1 13 . 1 1 42 42 CYS HA H 42 4.934 4.934 4.904 0.030 18953 11747 1 13 . 1 1 42 42 CYS C C 42 178.663 178.663 173.015 5.648 18953 11748 1 13 . 1 1 42 42 CYS CA C 42 56.877 56.877 57.892 -1.014 18953 11749 1 13 . 1 1 42 42 CYS CB C 42 31.679 31.679 31.889 -0.210 18953 11750 1 13 . 1 1 42 42 CYS H H 42 7.794 7.794 8.421 -0.627 18953 11751 1 13 . 1 1 43 43 PHE N N 43 118.841 118.841 122.700 -3.859 18953 11752 1 13 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.763 0.361 18953 11753 1 13 . 1 1 43 43 PHE C C 43 178.045 178.045 172.691 5.354 18953 11754 1 13 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.129 -0.639 18953 11755 1 13 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.976 0.981 18953 11756 1 13 . 1 1 43 43 PHE H H 43 8.509 8.509 8.480 0.029 18953 11757 1 13 . 1 1 44 44 MET N N 44 119.494 119.494 125.674 -6.180 18953 11758 1 13 . 1 1 44 44 MET HA H 44 5.442 5.442 4.934 0.508 18953 11759 1 13 . 1 1 44 44 MET C C 44 174.336 174.336 173.762 0.574 18953 11760 1 13 . 1 1 44 44 MET CA C 44 52.992 52.992 52.912 0.080 18953 11761 1 13 . 1 1 44 44 MET CB C 44 33.835 33.835 35.195 -1.360 18953 11762 1 13 . 1 1 44 44 MET H H 44 9.110 9.110 8.111 0.999 18953 11763 1 13 . 1 1 45 45 VAL N N 45 117.666 117.666 121.034 -3.368 18953 11764 1 13 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.794 0.593 18953 11765 1 13 . 1 1 45 45 VAL C C 45 177.844 177.844 173.927 3.917 18953 11766 1 13 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.725 -0.092 18953 11767 1 13 . 1 1 45 45 VAL CB C 45 34.280 34.280 34.182 0.098 18953 11768 1 13 . 1 1 45 45 VAL H H 45 9.345 9.345 8.677 0.668 18953 11769 1 13 . 1 1 46 46 TYR N N 46 117.876 117.876 123.081 -5.205 18953 11770 1 13 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.088 0.917 18953 11771 1 13 . 1 1 46 46 TYR C C 46 173.152 173.152 175.179 -2.027 18953 11772 1 13 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.526 -0.844 18953 11773 1 13 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.206 -1.181 18953 11774 1 13 . 1 1 46 46 TYR H H 46 8.145 8.145 9.382 -1.237 18953 11775 1 13 . 1 1 47 47 ASP N N 47 119.783 119.783 122.767 -2.984 18953 11776 1 13 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.746 0.139 18953 11777 1 13 . 1 1 47 47 ASP C C 47 176.040 176.040 176.351 -0.311 18953 11778 1 13 . 1 1 47 47 ASP CA C 47 53.826 53.826 54.618 -0.792 18953 11779 1 13 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.612 -0.545 18953 11780 1 13 . 1 1 47 47 ASP H H 47 8.690 8.690 9.030 -0.340 18953 11781 1 13 . 1 1 48 48 ARG N N 48 116.008 116.008 117.348 -1.340 18953 11782 1 13 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.751 -0.013 18953 11783 1 13 . 1 1 48 48 ARG C C 48 175.495 175.495 174.951 0.544 18953 11784 1 13 . 1 1 48 48 ARG CA C 48 54.345 54.345 53.632 0.713 18953 11785 1 13 . 1 1 48 48 ARG CB C 48 34.662 34.662 34.598 0.064 18953 11786 1 13 . 1 1 48 48 ARG H H 48 7.627 7.627 7.993 -0.366 18953 11787 1 13 . 1 1 49 49 THR N N 49 110.526 110.526 114.311 -3.785 18953 11788 1 13 . 1 1 49 49 THR HA H 49 3.790 3.790 4.277 -0.487 18953 11789 1 13 . 1 1 49 49 THR C C 49 176.951 176.951 174.767 2.184 18953 11790 1 13 . 1 1 49 49 THR CA C 49 62.112 62.112 62.633 -0.521 18953 11791 1 13 . 1 1 49 49 THR CB C 49 70.189 70.189 69.292 0.897 18953 11792 1 13 . 1 1 49 49 THR H H 49 8.173 8.173 8.173 0.000 18953 11793 1 13 . 1 1 50 50 ASN N N 50 112.515 112.515 118.414 -5.899 18953 11794 1 13 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.513 -0.264 18953 11795 1 13 . 1 1 50 50 ASN C C 50 178.172 178.172 173.426 4.746 18953 11796 1 13 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.570 0.807 18953 11797 1 13 . 1 1 50 50 ASN CB C 50 36.907 36.907 37.065 -0.158 18953 11798 1 13 . 1 1 50 50 ASN H H 50 9.654 9.654 8.154 1.500 18953 11799 1 13 . 1 1 51 51 PHE N N 51 110.557 110.557 109.732 0.825 18953 11800 1 13 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.848 -0.198 18953 11801 1 13 . 1 1 51 51 PHE C C 51 176.292 176.292 174.253 2.039 18953 11802 1 13 . 1 1 51 51 PHE CA C 51 55.668 55.668 57.951 -2.283 18953 11803 1 13 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.179 0.753 18953 11804 1 13 . 1 1 51 51 PHE H H 51 7.568 7.568 7.777 -0.209 18953 11805 1 13 . 1 1 52 52 MET N N 52 117.547 117.547 117.022 0.525 18953 11806 1 13 . 1 1 52 52 MET HA H 52 4.859 4.859 4.938 -0.079 18953 11807 1 13 . 1 1 52 52 MET C C 52 177.399 177.399 175.550 1.849 18953 11808 1 13 . 1 1 52 52 MET CA C 52 53.946 53.946 54.775 -0.829 18953 11809 1 13 . 1 1 52 52 MET CB C 52 35.335 35.335 37.038 -1.704 18953 11810 1 13 . 1 1 52 52 MET H H 52 6.355 6.355 7.487 -1.132 18953 11811 1 13 . 1 1 53 53 GLY N N 53 103.445 103.445 107.303 -3.858 18953 11812 1 13 . 1 1 53 53 GLY C C 53 175.327 175.327 174.163 1.164 18953 11813 1 13 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.833 -0.250 18953 11814 1 13 . 1 1 53 53 GLY H H 53 8.256 8.256 8.689 -0.433 18953 11815 1 13 . 1 1 54 54 ARG N N 54 124.195 124.195 122.811 1.384 18953 11816 1 13 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.042 0.120 18953 11817 1 13 . 1 1 54 54 ARG C C 54 177.235 177.235 175.467 1.768 18953 11818 1 13 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.295 -0.095 18953 11819 1 13 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.398 0.817 18953 11820 1 13 . 1 1 54 54 ARG H H 54 9.034 9.034 8.602 0.432 18953 11821 1 13 . 1 1 55 55 GLN N N 55 118.867 118.867 121.146 -2.279 18953 11822 1 13 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.936 0.083 18953 11823 1 13 . 1 1 55 55 GLN C C 55 176.166 176.166 173.776 2.390 18953 11824 1 13 . 1 1 55 55 GLN CA C 55 53.114 53.114 53.125 -0.011 18953 11825 1 13 . 1 1 55 55 GLN CB C 55 31.471 31.471 31.655 -0.184 18953 11826 1 13 . 1 1 55 55 GLN H H 55 7.657 7.657 8.117 -0.460 18953 11827 1 13 . 1 1 56 56 TYR N N 56 117.323 117.323 118.179 -0.856 18953 11828 1 13 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.642 -0.192 18953 11829 1 13 . 1 1 56 56 TYR C C 56 177.276 177.276 174.023 3.253 18953 11830 1 13 . 1 1 56 56 TYR CA C 56 57.213 57.213 56.941 0.272 18953 11831 1 13 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.272 -0.712 18953 11832 1 13 . 1 1 56 56 TYR H H 56 8.704 8.704 8.581 0.123 18953 11833 1 13 . 1 1 57 57 PHE N N 57 125.557 125.557 124.157 1.400 18953 11834 1 13 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.860 0.357 18953 11835 1 13 . 1 1 57 57 PHE C C 57 176.412 176.412 174.357 2.055 18953 11836 1 13 . 1 1 57 57 PHE CA C 57 58.371 58.371 57.451 0.920 18953 11837 1 13 . 1 1 57 57 PHE CB C 57 40.989 40.989 39.987 1.002 18953 11838 1 13 . 1 1 57 57 PHE H H 57 8.600 8.600 9.006 -0.406 18953 11839 1 13 . 1 1 58 58 LEU N N 58 129.141 129.141 129.688 -0.547 18953 11840 1 13 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.687 -0.332 18953 11841 1 13 . 1 1 58 58 LEU C C 58 177.356 177.356 175.314 2.042 18953 11842 1 13 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.405 0.445 18953 11843 1 13 . 1 1 58 58 LEU CB C 58 44.886 44.886 42.930 1.956 18953 11844 1 13 . 1 1 58 58 LEU H H 58 8.969 8.969 8.721 0.248 18953 11845 1 13 . 1 1 59 59 ARG N N 59 118.569 118.569 122.356 -3.787 18953 11846 1 13 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.614 -0.051 18953 11847 1 13 . 1 1 59 59 ARG C C 59 175.341 175.341 175.617 -0.276 18953 11848 1 13 . 1 1 59 59 ARG CA C 59 53.734 53.734 53.713 0.021 18953 11849 1 13 . 1 1 59 59 ARG CB C 59 32.396 32.396 32.497 -0.101 18953 11850 1 13 . 1 1 59 59 ARG H H 59 7.107 7.107 8.085 -0.978 18953 11851 1 13 . 1 1 60 60 ARG N N 60 121.635 121.635 122.446 -0.811 18953 11852 1 13 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.883 0.082 18953 11853 1 13 . 1 1 60 60 ARG C C 60 175.525 175.525 175.361 0.164 18953 11854 1 13 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.721 0.232 18953 11855 1 13 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.511 1.379 18953 11856 1 13 . 1 1 60 60 ARG H H 60 8.258 8.258 7.979 0.279 18953 11857 1 13 . 1 1 61 61 GLY N N 61 112.955 112.955 114.489 -1.534 18953 11858 1 13 . 1 1 61 61 GLY C C 61 180.518 180.518 171.319 9.199 18953 11859 1 13 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.726 -0.048 18953 11860 1 13 . 1 1 61 61 GLY H H 61 8.706 8.706 7.986 0.720 18953 11861 1 13 . 1 1 62 62 GLU N N 62 117.563 117.563 119.703 -2.140 18953 11862 1 13 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.576 -0.027 18953 11863 1 13 . 1 1 62 62 GLU C C 62 176.249 176.249 175.237 1.012 18953 11864 1 13 . 1 1 62 62 GLU CA C 62 55.813 55.813 55.124 0.689 18953 11865 1 13 . 1 1 62 62 GLU CB C 62 32.844 32.844 32.001 0.843 18953 11866 1 13 . 1 1 62 62 GLU H H 62 8.161 8.161 8.298 -0.137 18953 11867 1 13 . 1 1 63 63 TYR N N 63 119.057 119.057 125.459 -6.402 18953 11868 1 13 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.939 0.237 18953 11869 1 13 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.197 -0.924 18953 11870 1 13 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.121 -1.073 18953 11871 1 13 . 1 1 63 63 TYR H H 63 8.827 8.827 9.011 -0.184 18953 11872 1 13 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.054 -0.370 18953 11873 1 13 . 1 1 64 64 PRO CA C 64 64.970 64.970 63.577 1.393 18953 11874 1 13 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.360 -0.225 18953 11875 1 13 . 1 1 65 65 ASP N N 65 118.810 118.810 116.035 2.775 18953 11876 1 13 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.313 -0.266 18953 11877 1 13 . 1 1 65 65 ASP C C 65 174.175 174.175 174.901 -0.726 18953 11878 1 13 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.687 -0.112 18953 11879 1 13 . 1 1 65 65 ASP CB C 65 39.805 39.805 44.397 -4.592 18953 11880 1 13 . 1 1 65 65 ASP H H 65 8.600 8.600 7.682 0.918 18953 11881 1 13 . 1 1 66 66 TYR N N 66 119.662 119.662 118.474 1.188 18953 11882 1 13 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.855 -0.454 18953 11883 1 13 . 1 1 66 66 TYR C C 66 175.431 175.431 174.221 1.210 18953 11884 1 13 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.243 3.730 18953 11885 1 13 . 1 1 66 66 TYR CB C 66 38.024 38.024 39.226 -1.202 18953 11886 1 13 . 1 1 66 66 TYR H H 66 6.530 6.530 8.052 -1.522 18953 11887 1 13 . 1 1 67 67 MET N N 67 121.502 121.502 119.431 2.071 18953 11888 1 13 . 1 1 67 67 MET HA H 67 3.626 3.626 4.377 -0.751 18953 11889 1 13 . 1 1 67 67 MET C C 67 172.742 172.742 177.612 -4.870 18953 11890 1 13 . 1 1 67 67 MET CA C 67 59.998 59.998 55.969 4.029 18953 11891 1 13 . 1 1 67 67 MET CB C 67 32.064 32.064 33.195 -1.131 18953 11892 1 13 . 1 1 67 67 MET H H 67 8.299 8.299 8.109 0.190 18953 11893 1 13 . 1 1 68 68 ARG N N 68 116.824 116.824 117.611 -0.787 18953 11894 1 13 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.394 -0.239 18953 11895 1 13 . 1 1 68 68 ARG C C 68 171.982 171.982 177.297 -5.315 18953 11896 1 13 . 1 1 68 68 ARG CA C 68 58.600 58.600 57.523 1.077 18953 11897 1 13 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.234 0.822 18953 11898 1 13 . 1 1 68 68 ARG H H 68 6.919 6.919 8.384 -1.465 18953 11899 1 13 . 1 1 69 69 THR N N 69 111.292 111.292 114.163 -2.871 18953 11900 1 13 . 1 1 69 69 THR HA H 69 4.101 4.101 4.218 -0.117 18953 11901 1 13 . 1 1 69 69 THR C C 69 174.584 174.584 174.688 -0.104 18953 11902 1 13 . 1 1 69 69 THR CA C 69 65.512 65.512 65.224 0.288 18953 11903 1 13 . 1 1 69 69 THR CB C 69 68.821 68.821 68.899 -0.078 18953 11904 1 13 . 1 1 69 69 THR H H 69 8.020 8.020 8.112 -0.092 18953 11905 1 13 . 1 1 70 70 MET N N 70 117.481 117.481 117.811 -0.330 18953 11906 1 13 . 1 1 70 70 MET HA H 70 4.496 4.496 4.676 -0.180 18953 11907 1 13 . 1 1 70 70 MET C C 70 175.015 175.015 175.739 -0.724 18953 11908 1 13 . 1 1 70 70 MET CA C 70 56.029 56.029 55.844 0.185 18953 11909 1 13 . 1 1 70 70 MET CB C 70 33.013 33.013 34.730 -1.717 18953 11910 1 13 . 1 1 70 70 MET H H 70 8.315 8.315 7.467 0.848 18953 11911 1 13 . 1 1 71 71 GLY N N 71 108.537 108.537 108.553 -0.016 18953 11912 1 13 . 1 1 71 71 GLY C C 71 176.534 176.534 174.168 2.366 18953 11913 1 13 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.264 1.945 18953 11914 1 13 . 1 1 71 71 GLY H H 71 7.352 7.352 7.802 -0.450 18953 11915 1 13 . 1 1 72 72 MET N N 72 118.363 118.363 118.828 -0.465 18953 11916 1 13 . 1 1 72 72 MET HA H 72 4.375 4.375 4.721 -0.346 18953 11917 1 13 . 1 1 72 72 MET C C 72 176.034 176.034 175.694 0.340 18953 11918 1 13 . 1 1 72 72 MET CA C 72 55.884 55.884 54.402 1.482 18953 11919 1 13 . 1 1 72 72 MET CB C 72 35.756 35.756 35.066 0.691 18953 11920 1 13 . 1 1 72 72 MET H H 72 7.888 7.888 7.594 0.294 18953 11921 1 13 . 1 1 73 73 ASN N N 73 119.052 119.052 123.155 -4.103 18953 11922 1 13 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.920 -0.199 18953 11923 1 13 . 1 1 73 73 ASN C C 73 177.307 177.307 174.225 3.082 18953 11924 1 13 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.484 1.382 18953 11925 1 13 . 1 1 73 73 ASN CB C 73 39.872 39.872 37.362 2.510 18953 11926 1 13 . 1 1 73 73 ASN H H 73 8.956 8.956 8.797 0.159 18953 11927 1 13 . 1 1 74 74 ASP N N 74 118.536 118.536 116.886 1.650 18953 11928 1 13 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.679 0.197 18953 11929 1 13 . 1 1 74 74 ASP C C 74 177.595 177.595 174.460 3.135 18953 11930 1 13 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.807 -1.262 18953 11931 1 13 . 1 1 74 74 ASP CB C 74 44.043 44.043 42.261 1.782 18953 11932 1 13 . 1 1 74 74 ASP H H 74 7.831 7.831 7.617 0.214 18953 11933 1 13 . 1 1 75 75 CYS N N 75 116.378 116.378 117.043 -0.665 18953 11934 1 13 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.166 -0.505 18953 11935 1 13 . 1 1 75 75 CYS C C 75 177.301 177.301 175.126 2.175 18953 11936 1 13 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.643 1.429 18953 11937 1 13 . 1 1 75 75 CYS CB C 75 29.613 29.613 30.232 -0.619 18953 11938 1 13 . 1 1 75 75 CYS H H 75 8.527 8.527 8.608 -0.081 18953 11939 1 13 . 1 1 76 76 VAL N N 76 116.516 116.516 119.182 -2.666 18953 11940 1 13 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.183 -0.273 18953 11941 1 13 . 1 1 76 76 VAL C C 76 175.906 175.906 176.269 -0.363 18953 11942 1 13 . 1 1 76 76 VAL CA C 76 63.823 63.823 63.163 0.660 18953 11943 1 13 . 1 1 76 76 VAL CB C 76 32.705 32.705 31.926 0.779 18953 11944 1 13 . 1 1 76 76 VAL H H 76 7.296 7.296 8.538 -1.242 18953 11945 1 13 . 1 1 77 77 ARG N N 77 120.435 120.435 122.516 -2.081 18953 11946 1 13 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.454 -0.074 18953 11947 1 13 . 1 1 77 77 ARG C C 77 175.519 175.519 176.316 -0.797 18953 11948 1 13 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.636 -1.228 18953 11949 1 13 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.239 1.973 18953 11950 1 13 . 1 1 77 77 ARG H H 77 8.923 8.923 8.789 0.134 18953 11951 1 13 . 1 1 78 78 SER N N 78 110.315 110.315 114.366 -4.051 18953 11952 1 13 . 1 1 78 78 SER HA H 78 4.533 4.533 5.503 -0.970 18953 11953 1 13 . 1 1 78 78 SER C C 78 177.603 177.603 172.630 4.973 18953 11954 1 13 . 1 1 78 78 SER CA C 78 59.512 59.512 56.841 2.671 18953 11955 1 13 . 1 1 78 78 SER CB C 78 65.883 65.883 66.257 -0.374 18953 11956 1 13 . 1 1 78 78 SER H H 78 8.100 8.100 8.078 0.022 18953 11957 1 13 . 1 1 79 79 CYS N N 79 112.901 112.901 116.749 -3.848 18953 11958 1 13 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.400 0.917 18953 11959 1 13 . 1 1 79 79 CYS C C 79 179.601 179.601 172.568 7.033 18953 11960 1 13 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.817 -1.338 18953 11961 1 13 . 1 1 79 79 CYS CB C 79 32.350 32.350 31.905 0.445 18953 11962 1 13 . 1 1 79 79 CYS H H 79 9.438 9.438 9.270 0.168 18953 11963 1 13 . 1 1 80 80 ARG N N 80 122.877 122.877 120.400 2.477 18953 11964 1 13 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.680 0.347 18953 11965 1 13 . 1 1 80 80 ARG C C 80 176.888 176.888 173.708 3.180 18953 11966 1 13 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.629 0.057 18953 11967 1 13 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.468 0.219 18953 11968 1 13 . 1 1 80 80 ARG H H 80 10.005 10.005 8.704 1.301 18953 11969 1 13 . 1 1 81 81 MET N N 81 125.699 125.699 123.531 2.168 18953 11970 1 13 . 1 1 81 81 MET HA H 81 3.494 3.494 4.596 -1.102 18953 11971 1 13 . 1 1 81 81 MET C C 81 176.369 176.369 175.058 1.311 18953 11972 1 13 . 1 1 81 81 MET CA C 81 55.587 55.587 54.730 0.858 18953 11973 1 13 . 1 1 81 81 MET CB C 81 34.241 34.241 34.770 -0.529 18953 11974 1 13 . 1 1 81 81 MET H H 81 9.198 9.198 8.535 0.663 18953 11975 1 13 . 1 1 82 82 ILE N N 82 131.119 131.119 125.423 5.696 18953 11976 1 13 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.378 -0.344 18953 11977 1 13 . 1 1 82 82 ILE CA C 82 58.850 58.850 56.897 1.953 18953 11978 1 13 . 1 1 82 82 ILE CB C 82 38.193 38.193 36.659 1.534 18953 11979 1 13 . 1 1 82 82 ILE H H 82 7.744 7.744 8.368 -0.624 18953 11980 1 13 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.605 -0.404 18953 11981 1 13 . 1 1 83 83 PRO C C 83 176.434 176.434 177.188 -0.754 18953 11982 1 13 . 1 1 83 83 PRO CA C 83 62.426 62.426 62.226 0.200 18953 11983 1 13 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.528 -0.134 18953 11984 1 13 . 1 1 84 84 LEU N N 84 120.509 120.509 122.930 -2.421 18953 11985 1 13 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.307 -0.067 18953 11986 1 13 . 1 1 84 84 LEU C C 84 174.899 174.899 176.333 -1.434 18953 11987 1 13 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.434 0.093 18953 11988 1 13 . 1 1 84 84 LEU CB C 84 41.560 41.560 39.702 1.858 18953 11989 1 13 . 1 1 84 84 LEU H H 84 7.873 7.873 8.476 -0.603 18953 11990 1 13 . 1 1 85 85 HIS N N 85 125.245 125.245 121.485 3.760 18953 11991 1 13 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.766 -0.182 18953 11992 1 13 . 1 1 85 85 HIS CA C 85 56.167 56.167 54.538 1.629 18953 11993 1 13 . 1 1 85 85 HIS CB C 85 32.644 32.644 28.846 3.798 18953 11994 1 13 . 1 1 85 85 HIS H H 85 8.600 8.600 7.779 0.821 18953 11995 1 13 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.531 0.230 18953 11996 1 13 . 1 1 86 86 HIS C C 86 177.250 177.250 174.763 2.487 18953 11997 1 13 . 1 1 86 86 HIS CA C 86 54.709 54.709 55.805 -1.096 18953 11998 1 13 . 1 1 86 86 HIS CB C 86 29.670 29.670 29.522 0.148 18953 11999 1 13 . 1 1 86 86 HIS H H 86 8.500 8.500 8.074 0.426 18953 12000 1 13 . 1 1 87 87 GLY N N 87 107.909 107.909 113.129 -5.220 18953 12001 1 13 . 1 1 87 87 GLY C C 87 178.627 178.627 173.547 5.080 18953 12002 1 13 . 1 1 87 87 GLY CA C 87 44.861 44.861 44.531 0.330 18953 12003 1 13 . 1 1 87 87 GLY H H 87 6.662 6.662 7.774 -1.112 18953 12004 1 13 . 1 1 88 88 SER N N 88 116.742 116.742 116.322 0.420 18953 12005 1 13 . 1 1 88 88 SER HA H 88 4.528 4.528 4.770 -0.242 18953 12006 1 13 . 1 1 88 88 SER C C 88 178.527 178.527 173.105 5.422 18953 12007 1 13 . 1 1 88 88 SER CA C 88 58.279 58.279 57.825 0.454 18953 12008 1 13 . 1 1 88 88 SER CB C 88 64.360 64.360 65.998 -1.638 18953 12009 1 13 . 1 1 88 88 SER H H 88 8.235 8.235 8.077 0.158 18953 12010 1 13 . 1 1 89 89 PHE N N 89 119.985 119.985 121.574 -1.589 18953 12011 1 13 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.113 -0.545 18953 12012 1 13 . 1 1 89 89 PHE C C 89 176.551 176.551 175.326 1.225 18953 12013 1 13 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.511 -0.776 18953 12014 1 13 . 1 1 89 89 PHE CB C 89 41.321 41.321 41.589 -0.268 18953 12015 1 13 . 1 1 89 89 PHE H H 89 8.478 8.478 8.782 -0.304 18953 12016 1 13 . 1 1 90 90 LYS N N 90 122.179 122.179 127.082 -4.903 18953 12017 1 13 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.840 0.316 18953 12018 1 13 . 1 1 90 90 LYS C C 90 177.501 177.501 173.562 3.939 18953 12019 1 13 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.571 1.241 18953 12020 1 13 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.377 -0.676 18953 12021 1 13 . 1 1 90 90 LYS H H 90 9.130 9.130 8.637 0.493 18953 12022 1 13 . 1 1 91 91 MET N N 91 127.037 127.037 125.937 1.100 18953 12023 1 13 . 1 1 91 91 MET HA H 91 4.835 4.835 4.742 0.093 18953 12024 1 13 . 1 1 91 91 MET C C 91 179.276 179.276 173.839 5.437 18953 12025 1 13 . 1 1 91 91 MET CA C 91 54.527 54.527 53.539 0.988 18953 12026 1 13 . 1 1 91 91 MET CB C 91 36.920 36.920 36.462 0.458 18953 12027 1 13 . 1 1 91 91 MET H H 91 9.202 9.202 8.711 0.491 18953 12028 1 13 . 1 1 92 92 ARG N N 92 121.520 121.520 125.672 -4.152 18953 12029 1 13 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.508 0.360 18953 12030 1 13 . 1 1 92 92 ARG C C 92 177.432 177.432 174.927 2.505 18953 12031 1 13 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.273 -0.275 18953 12032 1 13 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.645 2.840 18953 12033 1 13 . 1 1 92 92 ARG H H 92 8.776 8.776 8.816 -0.040 18953 12034 1 13 . 1 1 93 93 LEU N N 93 124.749 124.749 124.818 -0.069 18953 12035 1 13 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.518 -0.243 18953 12036 1 13 . 1 1 93 93 LEU C C 93 176.662 176.662 175.531 1.131 18953 12037 1 13 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.768 -0.072 18953 12038 1 13 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.572 0.318 18953 12039 1 13 . 1 1 93 93 LEU H H 93 8.841 8.841 8.779 0.062 18953 12040 1 13 . 1 1 94 94 TYR N N 94 116.673 116.673 121.454 -4.781 18953 12041 1 13 . 1 1 94 94 TYR HA H 94 5.424 5.424 5.007 0.417 18953 12042 1 13 . 1 1 94 94 TYR C C 94 175.232 175.232 176.234 -1.002 18953 12043 1 13 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.230 -0.169 18953 12044 1 13 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.627 -1.264 18953 12045 1 13 . 1 1 94 94 TYR H H 94 8.161 8.161 8.797 -0.636 18953 12046 1 13 . 1 1 95 95 GLU N N 95 121.556 121.556 123.002 -1.446 18953 12047 1 13 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.366 -0.332 18953 12048 1 13 . 1 1 95 95 GLU C C 95 174.587 174.587 176.774 -2.187 18953 12049 1 13 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.949 0.011 18953 12050 1 13 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.475 3.049 18953 12051 1 13 . 1 1 95 95 GLU H H 95 8.537 8.537 8.728 -0.191 18953 12052 1 13 . 1 1 96 96 HIS N N 96 113.214 113.214 117.470 -4.256 18953 12053 1 13 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.722 0.584 18953 12054 1 13 . 1 1 96 96 HIS C C 96 175.830 175.830 175.253 0.577 18953 12055 1 13 . 1 1 96 96 HIS CA C 96 53.146 53.146 54.267 -1.121 18953 12056 1 13 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.799 0.565 18953 12057 1 13 . 1 1 96 96 HIS H H 96 8.154 8.154 7.915 0.239 18953 12058 1 13 . 1 1 97 97 SER N N 97 115.997 115.997 115.789 0.208 18953 12059 1 13 . 1 1 97 97 SER HA H 97 4.196 4.196 4.602 -0.406 18953 12060 1 13 . 1 1 97 97 SER C C 97 177.588 177.588 174.703 2.885 18953 12061 1 13 . 1 1 97 97 SER CA C 97 59.180 59.180 61.097 -1.917 18953 12062 1 13 . 1 1 97 97 SER CB C 97 63.740 63.740 63.731 0.009 18953 12063 1 13 . 1 1 97 97 SER H H 97 8.728 8.728 8.649 0.079 18953 12064 1 13 . 1 1 98 98 ASP N N 98 116.560 116.560 120.290 -3.730 18953 12065 1 13 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.261 -0.296 18953 12066 1 13 . 1 1 98 98 ASP C C 98 176.991 176.991 175.698 1.293 18953 12067 1 13 . 1 1 98 98 ASP CA C 98 56.873 56.873 56.931 -0.058 18953 12068 1 13 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.558 -0.044 18953 12069 1 13 . 1 1 98 98 ASP H H 98 9.714 9.714 8.669 1.045 18953 12070 1 13 . 1 1 99 99 MET N N 99 112.109 112.109 120.060 -7.951 18953 12071 1 13 . 1 1 99 99 MET HA H 99 2.689 2.689 4.160 -1.471 18953 12072 1 13 . 1 1 99 99 MET C C 99 176.133 176.133 174.947 1.186 18953 12073 1 13 . 1 1 99 99 MET CA C 99 56.596 56.596 54.083 2.513 18953 12074 1 13 . 1 1 99 99 MET CB C 99 27.203 27.203 32.424 -5.221 18953 12075 1 13 . 1 1 99 99 MET H H 99 8.425 8.425 7.926 0.499 18953 12076 1 13 . 1 1 100 100 GLY N N 100 104.572 104.572 108.762 -4.190 18953 12077 1 13 . 1 1 100 100 GLY C C 100 177.855 177.855 174.500 3.355 18953 12078 1 13 . 1 1 100 100 GLY CA C 100 44.345 44.345 43.670 0.674 18953 12079 1 13 . 1 1 100 100 GLY H H 100 6.670 6.670 7.590 -0.920 18953 12080 1 13 . 1 1 101 101 GLY N N 101 105.792 105.792 107.264 -1.472 18953 12081 1 13 . 1 1 101 101 GLY C C 101 177.525 177.525 174.278 3.247 18953 12082 1 13 . 1 1 101 101 GLY CA C 101 45.106 45.106 45.122 -0.016 18953 12083 1 13 . 1 1 101 101 GLY H H 101 8.446 8.446 8.053 0.393 18953 12084 1 13 . 1 1 102 102 ARG N N 102 121.688 121.688 121.259 0.429 18953 12085 1 13 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.279 -0.281 18953 12086 1 13 . 1 1 102 102 ARG C C 102 177.803 177.803 176.549 1.254 18953 12087 1 13 . 1 1 102 102 ARG CA C 102 58.368 58.368 56.174 2.194 18953 12088 1 13 . 1 1 102 102 ARG CB C 102 31.684 31.684 30.932 0.752 18953 12089 1 13 . 1 1 102 102 ARG H H 102 8.785 8.785 8.483 0.302 18953 12090 1 13 . 1 1 103 103 MET N N 103 122.371 122.371 122.083 0.288 18953 12091 1 13 . 1 1 103 103 MET HA H 103 4.754 4.754 4.858 -0.104 18953 12092 1 13 . 1 1 103 103 MET C C 103 175.490 175.490 174.680 0.810 18953 12093 1 13 . 1 1 103 103 MET CA C 103 53.993 53.993 54.326 -0.333 18953 12094 1 13 . 1 1 103 103 MET CB C 103 34.860 34.860 33.203 1.657 18953 12095 1 13 . 1 1 103 103 MET H H 103 7.905 7.905 8.309 -0.404 18953 12096 1 13 . 1 1 104 104 MET N N 104 127.629 127.629 124.121 3.508 18953 12097 1 13 . 1 1 104 104 MET HA H 104 4.318 4.318 4.423 -0.105 18953 12098 1 13 . 1 1 104 104 MET C C 104 177.870 177.870 174.593 3.277 18953 12099 1 13 . 1 1 104 104 MET CA C 104 54.080 54.080 54.709 -0.629 18953 12100 1 13 . 1 1 104 104 MET CB C 104 35.315 35.315 35.500 -0.185 18953 12101 1 13 . 1 1 104 104 MET H H 104 8.796 8.796 8.244 0.552 18953 12102 1 13 . 1 1 105 105 GLU N N 105 123.753 123.753 122.429 1.324 18953 12103 1 13 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.868 -0.022 18953 12104 1 13 . 1 1 105 105 GLU C C 105 176.871 176.871 175.644 1.227 18953 12105 1 13 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.328 0.360 18953 12106 1 13 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.020 2.495 18953 12107 1 13 . 1 1 105 105 GLU H H 105 8.467 8.467 8.379 0.088 18953 12108 1 13 . 1 1 106 106 LEU N N 106 125.076 125.076 125.828 -0.752 18953 12109 1 13 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.890 -0.002 18953 12110 1 13 . 1 1 106 106 LEU C C 106 175.666 175.666 175.206 0.460 18953 12111 1 13 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.307 0.593 18953 12112 1 13 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.136 2.661 18953 12113 1 13 . 1 1 106 106 LEU H H 106 8.933 8.933 8.871 0.062 18953 12114 1 13 . 1 1 107 107 MET N N 107 120.889 120.889 125.025 -4.136 18953 12115 1 13 . 1 1 107 107 MET HA H 107 5.152 5.152 4.902 0.250 18953 12116 1 13 . 1 1 107 107 MET C C 107 177.873 177.873 174.903 2.970 18953 12117 1 13 . 1 1 107 107 MET CA C 107 55.430 55.430 56.455 -1.025 18953 12118 1 13 . 1 1 107 107 MET CB C 107 35.107 35.107 34.675 0.432 18953 12119 1 13 . 1 1 107 107 MET H H 107 9.099 9.099 8.842 0.257 18953 12120 1 13 . 1 1 108 108 ASP N N 108 120.261 120.261 119.352 0.909 18953 12121 1 13 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.796 -0.347 18953 12122 1 13 . 1 1 108 108 ASP C C 108 178.998 178.998 174.967 4.031 18953 12123 1 13 . 1 1 108 108 ASP CA C 108 51.953 51.953 51.698 0.255 18953 12124 1 13 . 1 1 108 108 ASP CB C 108 43.335 43.335 41.804 1.531 18953 12125 1 13 . 1 1 108 108 ASP H H 108 7.874 7.874 7.916 -0.042 18953 12126 1 13 . 1 1 109 109 ASP N N 109 115.191 115.191 118.357 -3.166 18953 12127 1 13 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.738 0.100 18953 12128 1 13 . 1 1 109 109 ASP C C 109 174.768 174.768 175.542 -0.774 18953 12129 1 13 . 1 1 109 109 ASP CA C 109 55.106 55.106 54.496 0.610 18953 12130 1 13 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.215 -0.157 18953 12131 1 13 . 1 1 109 109 ASP H H 109 8.065 8.065 8.441 -0.376 18953 12132 1 13 . 1 1 110 110 CYS N N 110 120.716 120.716 121.963 -1.247 18953 12133 1 13 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.909 0.230 18953 12134 1 13 . 1 1 110 110 CYS CA C 110 55.817 55.817 56.033 -0.216 18953 12135 1 13 . 1 1 110 110 CYS CB C 110 29.730 29.730 28.613 1.117 18953 12136 1 13 . 1 1 110 110 CYS H H 110 9.583 9.583 8.546 1.037 18953 12137 1 13 . 1 1 111 111 PRO HA H 111 3.971 3.971 3.849 0.122 18953 12138 1 13 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.313 -0.169 18953 12139 1 13 . 1 1 111 111 PRO CB C 111 31.909 31.909 31.951 -0.042 18953 12140 1 13 . 1 1 112 112 ASN N N 112 116.300 116.300 115.176 1.124 18953 12141 1 13 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.792 -0.017 18953 12142 1 13 . 1 1 112 112 ASN C C 112 175.948 175.948 175.557 0.391 18953 12143 1 13 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.192 1.929 18953 12144 1 13 . 1 1 112 112 ASN CB C 112 38.709 38.709 38.893 -0.184 18953 12145 1 13 . 1 1 112 112 ASN H H 112 7.385 7.385 7.690 -0.305 18953 12146 1 13 . 1 1 113 113 LEU N N 113 129.895 129.895 124.519 5.376 18953 12147 1 13 . 1 1 113 113 LEU HA H 113 4.157 4.157 3.802 0.355 18953 12148 1 13 . 1 1 113 113 LEU C C 113 173.709 173.709 177.673 -3.964 18953 12149 1 13 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.472 1.417 18953 12150 1 13 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.159 0.292 18953 12151 1 13 . 1 1 113 113 LEU H H 113 8.154 8.154 8.321 -0.167 18953 12152 1 13 . 1 1 114 114 MET N N 114 120.939 120.939 118.042 2.897 18953 12153 1 13 . 1 1 114 114 MET HA H 114 4.204 4.204 4.020 0.184 18953 12154 1 13 . 1 1 114 114 MET C C 114 171.942 171.942 177.499 -5.557 18953 12155 1 13 . 1 1 114 114 MET CA C 114 58.354 58.354 58.645 -0.291 18953 12156 1 13 . 1 1 114 114 MET CB C 114 31.118 31.118 32.072 -0.954 18953 12157 1 13 . 1 1 114 114 MET H H 114 8.421 8.421 8.141 0.280 18953 12158 1 13 . 1 1 115 115 ASP N N 115 119.204 119.204 117.893 1.311 18953 12159 1 13 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.501 -0.228 18953 12160 1 13 . 1 1 115 115 ASP C C 115 174.228 174.228 177.778 -3.550 18953 12161 1 13 . 1 1 115 115 ASP CA C 115 56.737 56.737 55.999 0.738 18953 12162 1 13 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.504 0.117 18953 12163 1 13 . 1 1 115 115 ASP H H 115 7.695 7.695 7.677 0.018 18953 12164 1 13 . 1 1 116 116 ARG N N 116 116.937 116.937 118.781 -1.844 18953 12165 1 13 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.098 -0.040 18953 12166 1 13 . 1 1 116 116 ARG C C 116 174.084 174.084 177.680 -3.596 18953 12167 1 13 . 1 1 116 116 ARG CA C 116 57.839 57.839 57.590 0.249 18953 12168 1 13 . 1 1 116 116 ARG CB C 116 32.099 32.099 29.947 2.152 18953 12169 1 13 . 1 1 116 116 ARG H H 116 7.118 7.118 7.209 -0.091 18953 12170 1 13 . 1 1 117 117 PHE N N 117 113.914 113.914 114.087 -0.173 18953 12171 1 13 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.830 0.295 18953 12172 1 13 . 1 1 117 117 PHE C C 117 175.681 175.681 174.805 0.876 18953 12173 1 13 . 1 1 117 117 PHE CA C 117 57.040 57.040 55.699 1.341 18953 12174 1 13 . 1 1 117 117 PHE CB C 117 41.881 41.881 38.840 3.041 18953 12175 1 13 . 1 1 117 117 PHE H H 117 8.641 8.641 7.517 1.124 18953 12176 1 13 . 1 1 118 118 ASN N N 118 117.137 117.137 116.102 1.035 18953 12177 1 13 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.472 0.374 18953 12178 1 13 . 1 1 118 118 ASN C C 118 177.553 177.553 174.319 3.234 18953 12179 1 13 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.288 0.749 18953 12180 1 13 . 1 1 118 118 ASN CB C 118 38.049 38.049 36.483 1.566 18953 12181 1 13 . 1 1 118 118 ASN H H 118 8.478 8.478 8.057 0.421 18953 12182 1 13 . 1 1 119 119 MET N N 119 114.316 114.316 118.981 -4.665 18953 12183 1 13 . 1 1 119 119 MET HA H 119 4.386 4.386 4.627 -0.241 18953 12184 1 13 . 1 1 119 119 MET C C 119 178.321 178.321 174.324 3.997 18953 12185 1 13 . 1 1 119 119 MET CA C 119 55.950 55.950 54.675 1.275 18953 12186 1 13 . 1 1 119 119 MET CB C 119 37.233 37.233 34.347 2.886 18953 12187 1 13 . 1 1 119 119 MET H H 119 7.286 7.286 7.387 -0.101 18953 12188 1 13 . 1 1 120 120 SER N N 120 111.310 111.310 120.147 -8.837 18953 12189 1 13 . 1 1 120 120 SER HA H 120 4.682 4.682 4.861 -0.179 18953 12190 1 13 . 1 1 120 120 SER C C 120 179.047 179.047 173.044 6.003 18953 12191 1 13 . 1 1 120 120 SER CA C 120 57.435 57.435 57.010 0.425 18953 12192 1 13 . 1 1 120 120 SER CB C 120 65.594 65.594 64.429 1.165 18953 12193 1 13 . 1 1 120 120 SER H H 120 8.361 8.361 8.468 -0.107 18953 12194 1 13 . 1 1 121 121 ASP N N 121 120.422 120.422 121.419 -0.997 18953 12195 1 13 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.349 -0.267 18953 12196 1 13 . 1 1 121 121 ASP C C 121 177.532 177.532 174.691 2.841 18953 12197 1 13 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.538 0.092 18953 12198 1 13 . 1 1 121 121 ASP CB C 121 43.513 43.513 42.917 0.596 18953 12199 1 13 . 1 1 121 121 ASP H H 121 6.829 6.829 6.923 -0.094 18953 12200 1 13 . 1 1 122 122 PHE N N 122 120.611 120.611 120.306 0.305 18953 12201 1 13 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.955 -0.260 18953 12202 1 13 . 1 1 122 122 PHE C C 122 177.316 177.316 175.448 1.868 18953 12203 1 13 . 1 1 122 122 PHE CA C 122 57.660 57.660 56.164 1.496 18953 12204 1 13 . 1 1 122 122 PHE CB C 122 40.871 40.871 40.979 -0.108 18953 12205 1 13 . 1 1 122 122 PHE H H 122 8.376 8.376 8.341 0.035 18953 12206 1 13 . 1 1 123 123 HIS N N 123 116.193 116.193 118.378 -2.185 18953 12207 1 13 . 1 1 123 123 HIS HA H 123 4.765 4.765 5.219 -0.454 18953 12208 1 13 . 1 1 123 123 HIS C C 123 176.431 176.431 175.736 0.695 18953 12209 1 13 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.168 1.436 18953 12210 1 13 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.462 1.818 18953 12211 1 13 . 1 1 123 123 HIS H H 123 7.577 7.577 8.763 -1.186 18953 12212 1 13 . 1 1 124 124 SER N N 124 107.332 107.332 113.806 -6.474 18953 12213 1 13 . 1 1 124 124 SER HA H 124 4.698 4.698 5.178 -0.480 18953 12214 1 13 . 1 1 124 124 SER C C 124 178.179 178.179 172.820 5.359 18953 12215 1 13 . 1 1 124 124 SER CA C 124 59.556 59.556 57.500 2.056 18953 12216 1 13 . 1 1 124 124 SER CB C 124 65.667 65.667 65.903 -0.236 18953 12217 1 13 . 1 1 124 124 SER H H 124 8.256 8.256 8.473 -0.217 18953 12218 1 13 . 1 1 125 125 CYS N N 125 113.874 113.874 120.103 -6.229 18953 12219 1 13 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.510 0.041 18953 12220 1 13 . 1 1 125 125 CYS C C 125 179.655 179.655 172.907 6.748 18953 12221 1 13 . 1 1 125 125 CYS CA C 125 57.871 57.871 58.051 -0.180 18953 12222 1 13 . 1 1 125 125 CYS CB C 125 30.586 30.586 31.060 -0.474 18953 12223 1 13 . 1 1 125 125 CYS H H 125 9.561 9.561 8.817 0.744 18953 12224 1 13 . 1 1 126 126 HIS N N 126 124.829 124.829 122.761 2.068 18953 12225 1 13 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.390 0.091 18953 12226 1 13 . 1 1 126 126 HIS C C 126 176.575 176.575 172.666 3.909 18953 12227 1 13 . 1 1 126 126 HIS CA C 126 53.307 53.307 54.895 -1.587 18953 12228 1 13 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.833 1.290 18953 12229 1 13 . 1 1 126 126 HIS H H 126 9.858 9.858 8.908 0.950 18953 12230 1 13 . 1 1 127 127 VAL N N 127 128.620 128.620 125.748 2.872 18953 12231 1 13 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.060 -0.186 18953 12232 1 13 . 1 1 127 127 VAL C C 127 176.660 176.660 174.540 2.120 18953 12233 1 13 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.249 2.236 18953 12234 1 13 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.080 -2.081 18953 12235 1 13 . 1 1 127 127 VAL H H 127 9.408 9.408 8.663 0.745 18953 12236 1 13 . 1 1 128 128 MET N N 128 129.466 129.466 126.805 2.661 18953 12237 1 13 . 1 1 128 128 MET HA H 128 3.930 3.930 4.429 -0.499 18953 12238 1 13 . 1 1 128 128 MET C C 128 176.093 176.093 175.821 0.272 18953 12239 1 13 . 1 1 128 128 MET CA C 128 58.109 58.109 58.050 0.059 18953 12240 1 13 . 1 1 128 128 MET CB C 128 34.019 34.019 33.543 0.476 18953 12241 1 13 . 1 1 128 128 MET H H 128 7.906 7.906 8.355 -0.449 18953 12242 1 13 . 1 1 129 129 ASP N N 129 116.435 116.435 114.571 1.864 18953 12243 1 13 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.647 0.185 18953 12244 1 13 . 1 1 129 129 ASP C C 129 174.959 174.959 175.104 -0.145 18953 12245 1 13 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.345 -0.165 18953 12246 1 13 . 1 1 129 129 ASP CB C 129 45.131 45.131 43.650 1.481 18953 12247 1 13 . 1 1 129 129 ASP H H 129 8.349 8.349 7.463 0.886 18953 12248 1 13 . 1 1 130 130 GLY N N 130 113.062 113.062 106.978 6.084 18953 12249 1 13 . 1 1 130 130 GLY C C 130 183.642 183.642 172.027 11.615 18953 12250 1 13 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.235 0.237 18953 12251 1 13 . 1 1 130 130 GLY H H 130 8.479 8.479 8.267 0.212 18953 12252 1 13 . 1 1 131 131 HIS N N 131 114.389 114.389 118.679 -4.290 18953 12253 1 13 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.927 0.075 18953 12254 1 13 . 1 1 131 131 HIS C C 131 176.470 176.470 173.715 2.755 18953 12255 1 13 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.524 0.794 18953 12256 1 13 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.640 1.395 18953 12257 1 13 . 1 1 131 131 HIS H H 131 6.228 6.228 8.198 -1.970 18953 12258 1 13 . 1 1 132 132 TRP N N 132 122.333 122.333 122.683 -0.350 18953 12259 1 13 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.190 -0.055 18953 12260 1 13 . 1 1 132 132 TRP C C 132 177.557 177.557 174.824 2.733 18953 12261 1 13 . 1 1 132 132 TRP CA C 132 56.896 56.896 56.057 0.839 18953 12262 1 13 . 1 1 132 132 TRP CB C 132 33.795 33.795 31.867 1.928 18953 12263 1 13 . 1 1 132 132 TRP H H 132 8.838 8.838 8.938 -0.100 18953 12264 1 13 . 1 1 133 133 LEU N N 133 121.883 121.883 123.692 -1.809 18953 12265 1 13 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.108 0.014 18953 12266 1 13 . 1 1 133 133 LEU C C 133 176.457 176.457 176.031 0.426 18953 12267 1 13 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.333 -0.797 18953 12268 1 13 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.336 3.234 18953 12269 1 13 . 1 1 133 133 LEU H H 133 9.403 9.403 9.142 0.261 18953 12270 1 13 . 1 1 134 134 VAL N N 134 123.013 123.013 123.016 -0.003 18953 12271 1 13 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.460 0.099 18953 12272 1 13 . 1 1 134 134 VAL C C 134 177.780 177.780 174.719 3.061 18953 12273 1 13 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.325 -0.376 18953 12274 1 13 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.353 -0.264 18953 12275 1 13 . 1 1 134 134 VAL H H 134 8.948 8.948 9.173 -0.225 18953 12276 1 13 . 1 1 135 135 TYR N N 135 122.405 122.405 126.219 -3.814 18953 12277 1 13 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.851 0.689 18953 12278 1 13 . 1 1 135 135 TYR C C 135 172.456 172.456 176.171 -3.715 18953 12279 1 13 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.855 -0.858 18953 12280 1 13 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.269 -0.524 18953 12281 1 13 . 1 1 135 135 TYR H H 135 9.068 9.068 9.596 -0.528 18953 12282 1 13 . 1 1 136 136 GLU N N 136 121.335 121.335 124.373 -3.038 18953 12283 1 13 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.332 -0.229 18953 12284 1 13 . 1 1 136 136 GLU C C 136 176.022 176.022 176.782 -0.760 18953 12285 1 13 . 1 1 136 136 GLU CA C 136 59.896 59.896 58.878 1.018 18953 12286 1 13 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.463 2.464 18953 12287 1 13 . 1 1 136 136 GLU H H 136 9.360 9.360 8.395 0.965 18953 12288 1 13 . 1 1 137 137 GLN N N 137 111.530 111.530 116.224 -4.694 18953 12289 1 13 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.752 0.215 18953 12290 1 13 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.748 0.085 18953 12291 1 13 . 1 1 137 137 GLN CB C 137 29.142 29.142 30.952 -1.810 18953 12292 1 13 . 1 1 137 137 GLN H H 137 7.808 7.808 8.041 -0.233 18953 12293 1 13 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.185 -0.043 18953 12294 1 13 . 1 1 138 138 PRO C C 138 176.607 176.607 177.030 -0.423 18953 12295 1 13 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.196 -0.735 18953 12296 1 13 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.598 0.595 18953 12297 1 13 . 1 1 139 139 ASN N N 139 113.240 113.240 115.962 -2.722 18953 12298 1 13 . 1 1 139 139 ASN HA H 139 3.356 3.356 4.026 -0.670 18953 12299 1 13 . 1 1 139 139 ASN C C 139 177.996 177.996 173.800 4.196 18953 12300 1 13 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.133 0.114 18953 12301 1 13 . 1 1 139 139 ASN CB C 139 36.635 36.635 36.876 -0.241 18953 12302 1 13 . 1 1 139 139 ASN H H 139 9.683 9.683 8.225 1.458 18953 12303 1 13 . 1 1 140 140 TYR N N 140 113.289 113.289 109.710 3.579 18953 12304 1 13 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.060 -0.300 18953 12305 1 13 . 1 1 140 140 TYR C C 140 176.488 176.488 174.789 1.699 18953 12306 1 13 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.413 -3.117 18953 12307 1 13 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.668 -0.708 18953 12308 1 13 . 1 1 140 140 TYR H H 140 8.000 8.000 7.603 0.397 18953 12309 1 13 . 1 1 141 141 THR N N 141 108.766 108.766 108.466 0.300 18953 12310 1 13 . 1 1 141 141 THR HA H 141 4.697 4.697 4.733 -0.036 18953 12311 1 13 . 1 1 141 141 THR C C 141 178.578 178.578 173.966 4.612 18953 12312 1 13 . 1 1 141 141 THR CA C 141 60.128 60.128 60.982 -0.854 18953 12313 1 13 . 1 1 141 141 THR CB C 141 72.848 72.848 72.516 0.332 18953 12314 1 13 . 1 1 141 141 THR H H 141 6.280 6.280 7.878 -1.598 18953 12315 1 13 . 1 1 142 142 GLY N N 142 106.121 106.121 108.051 -1.930 18953 12316 1 13 . 1 1 142 142 GLY C C 142 177.117 177.117 173.253 3.864 18953 12317 1 13 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.610 -0.443 18953 12318 1 13 . 1 1 142 142 GLY H H 142 8.285 8.285 8.387 -0.102 18953 12319 1 13 . 1 1 143 143 ARG N N 143 120.212 120.212 121.068 -0.856 18953 12320 1 13 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.926 0.010 18953 12321 1 13 . 1 1 143 143 ARG C C 143 177.580 177.580 176.284 1.296 18953 12322 1 13 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.934 1.186 18953 12323 1 13 . 1 1 143 143 ARG CB C 143 31.156 31.156 30.015 1.141 18953 12324 1 13 . 1 1 143 143 ARG H H 143 8.583 8.583 8.270 0.313 18953 12325 1 13 . 1 1 144 144 GLN N N 144 119.516 119.516 121.755 -2.239 18953 12326 1 13 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.721 0.170 18953 12327 1 13 . 1 1 144 144 GLN C C 144 176.985 176.985 175.205 1.780 18953 12328 1 13 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.985 -1.663 18953 12329 1 13 . 1 1 144 144 GLN CB C 144 32.645 32.645 29.852 2.793 18953 12330 1 13 . 1 1 144 144 GLN H H 144 7.552 7.552 8.031 -0.479 18953 12331 1 13 . 1 1 145 145 PHE N N 145 114.745 114.745 121.694 -6.949 18953 12332 1 13 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.823 -0.166 18953 12333 1 13 . 1 1 145 145 PHE C C 145 176.969 176.969 174.591 2.378 18953 12334 1 13 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.649 -0.743 18953 12335 1 13 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.931 -0.664 18953 12336 1 13 . 1 1 145 145 PHE H H 145 8.696 8.696 8.994 -0.298 18953 12337 1 13 . 1 1 146 146 TYR N N 146 124.271 124.271 127.606 -3.335 18953 12338 1 13 . 1 1 146 146 TYR HA H 146 5.274 5.274 4.790 0.484 18953 12339 1 13 . 1 1 146 146 TYR C C 146 176.212 176.212 174.185 2.027 18953 12340 1 13 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.594 -1.854 18953 12341 1 13 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.100 0.134 18953 12342 1 13 . 1 1 146 146 TYR H H 146 8.915 8.915 9.047 -0.132 18953 12343 1 13 . 1 1 147 147 LEU N N 147 103.207 103.207 129.419 -26.212 18953 12344 1 13 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.466 -0.075 18953 12345 1 13 . 1 1 147 147 LEU C C 147 178.198 178.198 175.301 2.897 18953 12346 1 13 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.115 0.854 18953 12347 1 13 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.643 1.502 18953 12348 1 13 . 1 1 147 147 LEU H H 147 9.229 9.229 8.722 0.507 18953 12349 1 13 . 1 1 148 148 ARG N N 148 120.815 120.815 123.557 -2.742 18953 12350 1 13 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.857 -0.278 18953 12351 1 13 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.856 0.138 18953 12352 1 13 . 1 1 148 148 ARG CB C 148 29.256 29.256 30.212 -0.956 18953 12353 1 13 . 1 1 148 148 ARG H H 148 6.955 6.955 9.112 -2.157 18953 12354 1 13 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.292 -0.106 18953 12355 1 13 . 1 1 149 149 PRO C C 149 175.154 175.154 176.881 -1.727 18953 12356 1 13 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.578 1.277 18953 12357 1 13 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.995 -0.358 18953 12358 1 13 . 1 1 150 150 GLY N N 150 111.695 111.695 106.275 5.420 18953 12359 1 13 . 1 1 150 150 GLY C C 150 179.740 179.740 172.040 7.700 18953 12360 1 13 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.424 0.189 18953 12361 1 13 . 1 1 150 150 GLY H H 150 8.965 8.965 7.793 1.172 18953 12362 1 13 . 1 1 151 151 GLU N N 151 118.822 118.822 120.121 -1.299 18953 12363 1 13 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.759 -0.436 18953 12364 1 13 . 1 1 151 151 GLU C C 151 176.078 176.078 175.304 0.774 18953 12365 1 13 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.670 0.883 18953 12366 1 13 . 1 1 151 151 GLU CB C 151 31.878 31.878 31.484 0.394 18953 12367 1 13 . 1 1 151 151 GLU H H 151 8.403 8.403 8.316 0.087 18953 12368 1 13 . 1 1 152 152 TYR N N 152 123.055 123.055 122.135 0.920 18953 12369 1 13 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.970 -0.230 18953 12370 1 13 . 1 1 152 152 TYR C C 152 176.413 176.413 176.464 -0.051 18953 12371 1 13 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.552 -0.582 18953 12372 1 13 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.157 -2.382 18953 12373 1 13 . 1 1 152 152 TYR H H 152 8.859 8.859 9.458 -0.599 18953 12374 1 13 . 1 1 153 153 ARG N N 153 124.271 124.271 117.940 6.331 18953 12375 1 13 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.714 -0.698 18953 12376 1 13 . 1 1 153 153 ARG C C 153 176.727 176.727 175.569 1.158 18953 12377 1 13 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.692 4.512 18953 12378 1 13 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.084 -1.744 18953 12379 1 13 . 1 1 153 153 ARG H H 153 8.882 8.882 9.198 -0.316 18953 12380 1 13 . 1 1 154 154 SER N N 154 111.500 111.500 113.387 -1.887 18953 12381 1 13 . 1 1 154 154 SER HA H 154 5.194 5.194 4.639 0.555 18953 12382 1 13 . 1 1 154 154 SER C C 154 176.379 176.379 173.200 3.179 18953 12383 1 13 . 1 1 154 154 SER CA C 154 56.894 56.894 57.248 -0.354 18953 12384 1 13 . 1 1 154 154 SER CB C 154 66.352 66.352 65.957 0.395 18953 12385 1 13 . 1 1 154 154 SER H H 154 8.070 8.070 7.972 0.098 18953 12386 1 13 . 1 1 155 155 TYR N N 155 119.386 119.386 120.257 -0.871 18953 12387 1 13 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.129 -1.966 18953 12388 1 13 . 1 1 155 155 TYR C C 155 174.639 174.639 176.403 -1.764 18953 12389 1 13 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.792 -2.423 18953 12390 1 13 . 1 1 155 155 TYR CB C 155 38.399 38.399 36.919 1.480 18953 12391 1 13 . 1 1 155 155 TYR H H 155 7.638 7.638 7.509 0.129 18953 12392 1 13 . 1 1 156 156 ASN N N 156 119.038 119.038 112.810 6.228 18953 12393 1 13 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.414 -0.294 18953 12394 1 13 . 1 1 156 156 ASN C C 156 172.889 172.889 175.000 -2.111 18953 12395 1 13 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.162 2.434 18953 12396 1 13 . 1 1 156 156 ASN CB C 156 38.621 38.621 37.927 0.694 18953 12397 1 13 . 1 1 156 156 ASN H H 156 6.819 6.819 7.555 -0.736 18953 12398 1 13 . 1 1 157 157 ASP N N 157 118.338 118.338 121.846 -3.508 18953 12399 1 13 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.511 0.070 18953 12400 1 13 . 1 1 157 157 ASP C C 157 173.908 173.908 176.824 -2.916 18953 12401 1 13 . 1 1 157 157 ASP CA C 157 57.382 57.382 57.204 0.178 18953 12402 1 13 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.943 -0.316 18953 12403 1 13 . 1 1 157 157 ASP H H 157 7.791 7.791 7.802 -0.011 18953 12404 1 13 . 1 1 158 158 TRP N N 158 114.610 114.610 119.477 -4.867 18953 12405 1 13 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.872 0.462 18953 12406 1 13 . 1 1 158 158 TRP C C 158 175.711 175.711 176.468 -0.757 18953 12407 1 13 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.325 0.744 18953 12408 1 13 . 1 1 158 158 TRP CB C 158 28.119 28.119 29.031 -0.912 18953 12409 1 13 . 1 1 158 158 TRP H H 158 7.000 7.000 6.899 0.101 18953 12410 1 13 . 1 1 159 159 GLY N N 159 108.647 108.647 108.321 0.326 18953 12411 1 13 . 1 1 159 159 GLY C C 159 175.991 175.991 174.398 1.593 18953 12412 1 13 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.354 0.378 18953 12413 1 13 . 1 1 159 159 GLY H H 159 7.588 7.588 7.932 -0.344 18953 12414 1 13 . 1 1 160 160 GLY N N 160 107.348 107.348 105.968 1.380 18953 12415 1 13 . 1 1 160 160 GLY C C 160 178.604 178.604 172.887 5.717 18953 12416 1 13 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.452 1.904 18953 12417 1 13 . 1 1 160 160 GLY H H 160 7.326 7.326 7.675 -0.349 18953 12418 1 13 . 1 1 161 161 VAL N N 161 118.047 118.047 112.092 5.955 18953 12419 1 13 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.426 -0.174 18953 12420 1 13 . 1 1 161 161 VAL C C 161 175.118 175.118 174.757 0.361 18953 12421 1 13 . 1 1 161 161 VAL CA C 161 63.303 63.303 61.755 1.548 18953 12422 1 13 . 1 1 161 161 VAL CB C 161 32.835 32.835 32.249 0.586 18953 12423 1 13 . 1 1 161 161 VAL H H 161 8.697 8.697 8.459 0.238 18953 12424 1 13 . 1 1 162 162 THR N N 162 111.630 111.630 108.550 3.080 18953 12425 1 13 . 1 1 162 162 THR HA H 162 3.659 3.659 4.213 -0.554 18953 12426 1 13 . 1 1 162 162 THR C C 162 179.191 179.191 173.390 5.801 18953 12427 1 13 . 1 1 162 162 THR CA C 162 59.431 59.431 60.705 -1.274 18953 12428 1 13 . 1 1 162 162 THR CB C 162 71.935 71.935 71.103 0.832 18953 12429 1 13 . 1 1 162 162 THR H H 162 7.864 7.864 7.372 0.492 18953 12430 1 13 . 1 1 163 163 SER N N 163 112.275 112.275 113.949 -1.674 18953 12431 1 13 . 1 1 163 163 SER HA H 163 4.018 4.018 4.837 -0.819 18953 12432 1 13 . 1 1 163 163 SER C C 163 178.307 178.307 173.731 4.576 18953 12433 1 13 . 1 1 163 163 SER CA C 163 57.968 57.968 58.145 -0.177 18953 12434 1 13 . 1 1 163 163 SER CB C 163 63.093 63.093 64.583 -1.490 18953 12435 1 13 . 1 1 163 163 SER H H 163 7.502 7.502 8.616 -1.114 18953 12436 1 13 . 1 1 164 164 ARG N N 164 122.770 122.770 123.820 -1.050 18953 12437 1 13 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.410 0.015 18953 12438 1 13 . 1 1 164 164 ARG C C 164 175.003 175.003 174.908 0.095 18953 12439 1 13 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.842 0.295 18953 12440 1 13 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.571 1.882 18953 12441 1 13 . 1 1 164 164 ARG H H 164 7.578 7.578 8.022 -0.444 18953 12442 1 13 . 1 1 165 165 MET N N 165 122.454 122.454 120.935 1.519 18953 12443 1 13 . 1 1 165 165 MET HA H 165 4.620 4.620 4.938 -0.318 18953 12444 1 13 . 1 1 165 165 MET C C 165 177.244 177.244 176.899 0.345 18953 12445 1 13 . 1 1 165 165 MET CA C 165 56.192 56.192 55.256 0.936 18953 12446 1 13 . 1 1 165 165 MET CB C 165 37.269 37.269 33.925 3.344 18953 12447 1 13 . 1 1 165 165 MET H H 165 8.480 8.480 8.775 -0.295 18953 12448 1 13 . 1 1 166 166 GLY N N 166 107.987 107.987 111.988 -4.001 18953 12449 1 13 . 1 1 166 166 GLY C C 166 177.648 177.648 173.312 4.336 18953 12450 1 13 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.932 0.760 18953 12451 1 13 . 1 1 166 166 GLY H H 166 9.046 9.046 8.751 0.295 18953 12452 1 13 . 1 1 167 167 SER N N 167 113.024 113.024 115.966 -2.942 18953 12453 1 13 . 1 1 167 167 SER HA H 167 4.562 4.562 5.663 -1.101 18953 12454 1 13 . 1 1 167 167 SER C C 167 179.104 179.104 172.732 6.372 18953 12455 1 13 . 1 1 167 167 SER CA C 167 58.729 58.729 56.201 2.528 18953 12456 1 13 . 1 1 167 167 SER CB C 167 64.816 64.816 65.562 -0.746 18953 12457 1 13 . 1 1 167 167 SER H H 167 8.257 8.257 7.960 0.297 18953 12458 1 13 . 1 1 168 168 ILE N N 168 118.927 118.927 122.696 -3.769 18953 12459 1 13 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.118 0.390 18953 12460 1 13 . 1 1 168 168 ILE C C 168 177.783 177.783 174.054 3.729 18953 12461 1 13 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.891 0.270 18953 12462 1 13 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.214 0.996 18953 12463 1 13 . 1 1 168 168 ILE H H 168 8.922 8.922 9.031 -0.109 18953 12464 1 13 . 1 1 169 169 ARG N N 169 124.820 124.820 124.462 0.358 18953 12465 1 13 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.875 0.170 18953 12466 1 13 . 1 1 169 169 ARG C C 169 177.350 177.350 174.184 3.166 18953 12467 1 13 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.723 -0.538 18953 12468 1 13 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.698 0.293 18953 12469 1 13 . 1 1 169 169 ARG H H 169 9.757 9.757 9.413 0.344 18953 12470 1 13 . 1 1 170 170 ARG N N 170 122.951 122.951 126.647 -3.696 18953 12471 1 13 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.970 -0.705 18953 12472 1 13 . 1 1 170 170 ARG C C 170 174.373 174.373 175.705 -1.332 18953 12473 1 13 . 1 1 170 170 ARG CA C 170 55.170 55.170 54.040 1.130 18953 12474 1 13 . 1 1 170 170 ARG CB C 170 30.150 30.150 29.512 0.638 18953 12475 1 13 . 1 1 170 170 ARG H H 170 8.552 8.552 8.221 0.331 18953 12476 1 13 . 1 1 171 171 ILE N N 171 123.280 123.280 126.829 -3.549 18953 12477 1 13 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.753 0.049 18953 12478 1 13 . 1 1 171 171 ILE C C 171 177.088 177.088 174.996 2.092 18953 12479 1 13 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.260 0.301 18953 12480 1 13 . 1 1 171 171 ILE CB C 171 36.326 36.326 35.332 0.994 18953 12481 1 13 . 1 1 171 171 ILE H H 171 8.424 8.424 8.056 0.368 18953 12482 1 13 . 1 1 172 172 THR N N 172 117.270 117.270 121.028 -3.758 18953 12483 1 13 . 1 1 172 172 THR HA H 172 4.558 4.558 4.120 0.438 18953 12484 1 13 . 1 1 172 172 THR C C 172 177.651 177.651 172.144 5.507 18953 12485 1 13 . 1 1 172 172 THR CA C 172 60.095 60.095 60.812 -0.716 18953 12486 1 13 . 1 1 172 172 THR CB C 172 70.040 70.040 68.542 1.498 18953 12487 1 13 . 1 1 172 172 THR H H 172 7.299 7.299 8.335 -1.036 18953 12488 1 13 . 1 1 173 173 ASP N N 173 121.598 121.598 121.865 -0.267 18953 12489 1 13 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.499 -0.054 18953 12490 1 13 . 1 1 173 173 ASP C C 173 177.041 177.041 175.978 1.063 18953 12491 1 13 . 1 1 173 173 ASP CA C 173 55.010 55.010 54.069 0.941 18953 12492 1 13 . 1 1 173 173 ASP CB C 173 41.524 41.524 39.847 1.677 18953 12493 1 13 . 1 1 173 173 ASP H H 173 8.477 8.477 7.859 0.618 18953 12494 1 14 . 1 1 2 2 GLY C C 2 182.782 182.782 172.615 10.167 18953 12495 1 14 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.056 -1.509 18953 12496 1 14 . 1 1 3 3 LYS N N 3 120.153 120.153 120.975 -0.822 18953 12497 1 14 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.673 0.342 18953 12498 1 14 . 1 1 3 3 LYS C C 3 179.140 179.140 174.206 4.934 18953 12499 1 14 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.276 2.034 18953 12500 1 14 . 1 1 3 3 LYS CB C 3 35.698 35.698 36.264 -0.566 18953 12501 1 14 . 1 1 3 3 LYS H H 3 8.398 8.398 7.819 0.579 18953 12502 1 14 . 1 1 4 4 ILE N N 4 129.769 129.769 125.605 4.164 18953 12503 1 14 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.878 -0.272 18953 12504 1 14 . 1 1 4 4 ILE C C 4 180.618 180.618 173.181 7.437 18953 12505 1 14 . 1 1 4 4 ILE CA C 4 58.400 58.400 59.028 -0.627 18953 12506 1 14 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.452 -0.433 18953 12507 1 14 . 1 1 4 4 ILE H H 4 8.871 8.871 8.367 0.504 18953 12508 1 14 . 1 1 5 5 ILE N N 5 125.103 125.103 128.079 -2.976 18953 12509 1 14 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.909 -0.401 18953 12510 1 14 . 1 1 5 5 ILE C C 5 177.516 177.516 174.794 2.722 18953 12511 1 14 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.506 1.323 18953 12512 1 14 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.550 -0.133 18953 12513 1 14 . 1 1 5 5 ILE H H 5 8.788 8.788 8.901 -0.113 18953 12514 1 14 . 1 1 6 6 PHE N N 6 125.558 125.558 125.350 0.208 18953 12515 1 14 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.736 -0.113 18953 12516 1 14 . 1 1 6 6 PHE C C 6 176.512 176.512 174.632 1.880 18953 12517 1 14 . 1 1 6 6 PHE CA C 6 57.219 57.219 56.916 0.303 18953 12518 1 14 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.096 0.387 18953 12519 1 14 . 1 1 6 6 PHE H H 6 8.540 8.540 9.216 -0.676 18953 12520 1 14 . 1 1 7 7 TYR N N 7 120.647 120.647 120.120 0.527 18953 12521 1 14 . 1 1 7 7 TYR HA H 7 5.171 5.171 5.035 0.136 18953 12522 1 14 . 1 1 7 7 TYR C C 7 173.898 173.898 175.458 -1.560 18953 12523 1 14 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.277 0.169 18953 12524 1 14 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.298 -2.988 18953 12525 1 14 . 1 1 7 7 TYR H H 7 8.889 8.889 9.415 -0.526 18953 12526 1 14 . 1 1 8 8 GLU N N 8 122.007 122.007 123.613 -1.606 18953 12527 1 14 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.094 0.087 18953 12528 1 14 . 1 1 8 8 GLU C C 8 174.881 174.881 176.751 -1.870 18953 12529 1 14 . 1 1 8 8 GLU CA C 8 60.066 60.066 57.920 2.146 18953 12530 1 14 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.514 1.538 18953 12531 1 14 . 1 1 8 8 GLU H H 8 8.756 8.756 8.400 0.356 18953 12532 1 14 . 1 1 9 9 ASP N N 9 114.203 114.203 119.293 -5.090 18953 12533 1 14 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.455 0.767 18953 12534 1 14 . 1 1 9 9 ASP CA C 9 52.366 52.366 54.322 -1.956 18953 12535 1 14 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.027 1.409 18953 12536 1 14 . 1 1 9 9 ASP H H 9 7.977 7.977 7.812 0.165 18953 12537 1 14 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.637 -1.518 18953 12538 1 14 . 1 1 11 11 ASN CA C 11 56.660 56.660 53.303 3.357 18953 12539 1 14 . 1 1 11 11 ASN CB C 11 35.050 35.050 37.809 -2.759 18953 12540 1 14 . 1 1 13 13 GLY C C 13 178.281 178.281 174.081 4.200 18953 12541 1 14 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.634 -0.188 18953 12542 1 14 . 1 1 14 14 GLY N N 14 105.348 105.348 107.532 -2.184 18953 12543 1 14 . 1 1 14 14 GLY C C 14 176.463 176.463 174.150 2.313 18953 12544 1 14 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.084 0.027 18953 12545 1 14 . 1 1 14 14 GLY H H 14 8.261 8.261 8.310 -0.049 18953 12546 1 14 . 1 1 15 15 ARG N N 15 119.637 119.637 124.266 -4.629 18953 12547 1 14 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.367 -0.156 18953 12548 1 14 . 1 1 15 15 ARG C C 15 176.574 176.574 176.164 0.410 18953 12549 1 14 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.201 1.131 18953 12550 1 14 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.356 1.056 18953 12551 1 14 . 1 1 15 15 ARG H H 15 8.579 8.579 8.546 0.033 18953 12552 1 14 . 1 1 16 16 TYR N N 16 114.846 114.846 122.536 -7.690 18953 12553 1 14 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.168 0.690 18953 12554 1 14 . 1 1 16 16 TYR C C 16 176.510 176.510 175.077 1.433 18953 12555 1 14 . 1 1 16 16 TYR CA C 16 54.613 54.613 55.179 -0.566 18953 12556 1 14 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.385 2.033 18953 12557 1 14 . 1 1 16 16 TYR H H 16 7.617 7.617 8.076 -0.459 18953 12558 1 14 . 1 1 17 17 HIS N N 17 118.443 118.443 119.486 -1.043 18953 12559 1 14 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.785 0.025 18953 12560 1 14 . 1 1 17 17 HIS C C 17 177.970 177.970 173.711 4.259 18953 12561 1 14 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.965 -0.403 18953 12562 1 14 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.725 -0.121 18953 12563 1 14 . 1 1 17 17 HIS H H 17 8.785 8.785 8.798 -0.013 18953 12564 1 14 . 1 1 18 18 GLU N N 18 126.223 126.223 125.987 0.236 18953 12565 1 14 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.511 0.327 18953 12566 1 14 . 1 1 18 18 GLU C C 18 176.504 176.504 175.443 1.061 18953 12567 1 14 . 1 1 18 18 GLU CA C 18 55.099 55.099 56.257 -1.158 18953 12568 1 14 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.784 1.338 18953 12569 1 14 . 1 1 18 18 GLU H H 18 8.529 8.529 8.720 -0.191 18953 12570 1 14 . 1 1 19 19 CYS N N 19 121.383 121.383 122.875 -1.492 18953 12571 1 14 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.770 -0.113 18953 12572 1 14 . 1 1 19 19 CYS C C 19 178.018 178.018 174.172 3.846 18953 12573 1 14 . 1 1 19 19 CYS CA C 19 58.777 58.777 58.216 0.561 18953 12574 1 14 . 1 1 19 19 CYS CB C 19 29.812 29.812 31.133 -1.321 18953 12575 1 14 . 1 1 19 19 CYS H H 19 9.163 9.163 9.173 -0.010 18953 12576 1 14 . 1 1 20 20 MET N N 20 126.877 126.877 119.928 6.949 18953 12577 1 14 . 1 1 20 20 MET HA H 20 5.295 5.295 4.886 0.409 18953 12578 1 14 . 1 1 20 20 MET C C 20 176.776 176.776 175.026 1.750 18953 12579 1 14 . 1 1 20 20 MET CA C 20 55.260 55.260 55.287 -0.027 18953 12580 1 14 . 1 1 20 20 MET CB C 20 33.370 33.370 33.959 -0.589 18953 12581 1 14 . 1 1 20 20 MET H H 20 8.995 8.995 8.659 0.336 18953 12582 1 14 . 1 1 21 21 SER N N 21 179.042 179.042 113.641 65.401 18953 12583 1 14 . 1 1 21 21 SER HA H 21 4.658 4.658 4.807 -0.149 18953 12584 1 14 . 1 1 21 21 SER C C 21 179.042 179.042 173.117 5.925 18953 12585 1 14 . 1 1 21 21 SER CA C 21 57.586 57.586 57.056 0.530 18953 12586 1 14 . 1 1 21 21 SER CB C 21 65.782 65.782 65.637 0.145 18953 12587 1 14 . 1 1 21 21 SER H H 21 7.990 7.990 7.638 0.352 18953 12588 1 14 . 1 1 22 22 ASP N N 22 117.203 117.203 120.351 -3.148 18953 12589 1 14 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.642 0.309 18953 12590 1 14 . 1 1 22 22 ASP C C 22 173.564 173.564 175.320 -1.756 18953 12591 1 14 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.695 0.776 18953 12592 1 14 . 1 1 22 22 ASP CB C 22 41.819 41.819 41.122 0.697 18953 12593 1 14 . 1 1 22 22 ASP H H 22 8.317 8.317 8.514 -0.197 18953 12594 1 14 . 1 1 23 23 CYS N N 23 121.308 121.308 121.130 0.178 18953 12595 1 14 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.749 0.042 18953 12596 1 14 . 1 1 23 23 CYS C C 23 177.265 177.265 174.335 2.930 18953 12597 1 14 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.998 1.965 18953 12598 1 14 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.651 -1.239 18953 12599 1 14 . 1 1 23 23 CYS H H 23 9.410 9.410 9.041 0.369 18953 12600 1 14 . 1 1 24 24 ALA N N 24 131.693 131.693 129.593 2.100 18953 12601 1 14 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.768 -0.246 18953 12602 1 14 . 1 1 24 24 ALA C C 24 175.455 175.455 175.685 -0.230 18953 12603 1 14 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.881 1.733 18953 12604 1 14 . 1 1 24 24 ALA CB C 24 19.175 19.175 19.157 0.018 18953 12605 1 14 . 1 1 24 24 ALA H H 24 9.210 9.210 8.756 0.454 18953 12606 1 14 . 1 1 25 25 ASP N N 25 113.873 113.873 117.127 -3.254 18953 12607 1 14 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.750 0.145 18953 12608 1 14 . 1 1 25 25 ASP C C 25 174.970 174.970 175.265 -0.295 18953 12609 1 14 . 1 1 25 25 ASP CA C 25 53.920 53.920 52.899 1.021 18953 12610 1 14 . 1 1 25 25 ASP CB C 25 40.564 40.564 40.940 -0.376 18953 12611 1 14 . 1 1 25 25 ASP H H 25 7.524 7.524 7.541 -0.017 18953 12612 1 14 . 1 1 26 26 LEU N N 26 127.166 127.166 122.383 4.783 18953 12613 1 14 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.230 -0.231 18953 12614 1 14 . 1 1 26 26 LEU C C 26 173.727 173.727 176.980 -3.253 18953 12615 1 14 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.746 1.405 18953 12616 1 14 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.696 -0.337 18953 12617 1 14 . 1 1 26 26 LEU H H 26 8.495 8.495 8.867 -0.372 18953 12618 1 14 . 1 1 27 27 HIS N N 27 118.732 118.732 119.771 -1.039 18953 12619 1 14 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.301 0.236 18953 12620 1 14 . 1 1 27 27 HIS C C 27 175.667 175.667 175.934 -0.267 18953 12621 1 14 . 1 1 27 27 HIS CA C 27 57.793 57.793 58.965 -1.172 18953 12622 1 14 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.326 -1.288 18953 12623 1 14 . 1 1 27 27 HIS H H 27 8.446 8.446 7.838 0.608 18953 12624 1 14 . 1 1 28 28 SER N N 28 112.598 112.598 114.481 -1.883 18953 12625 1 14 . 1 1 28 28 SER HA H 28 3.792 3.792 4.230 -0.438 18953 12626 1 14 . 1 1 28 28 SER C C 28 177.551 177.551 175.134 2.417 18953 12627 1 14 . 1 1 28 28 SER CA C 28 60.406 60.406 60.752 -0.346 18953 12628 1 14 . 1 1 28 28 SER CB C 28 62.814 62.814 63.136 -0.322 18953 12629 1 14 . 1 1 28 28 SER H H 28 7.237 7.237 8.418 -1.181 18953 12630 1 14 . 1 1 29 29 TYR N N 29 118.301 118.301 117.926 0.375 18953 12631 1 14 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.087 0.215 18953 12632 1 14 . 1 1 29 29 TYR C C 29 176.283 176.283 175.320 0.963 18953 12633 1 14 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.473 -1.805 18953 12634 1 14 . 1 1 29 29 TYR CB C 29 39.471 39.471 38.929 0.542 18953 12635 1 14 . 1 1 29 29 TYR H H 29 7.224 7.224 7.062 0.162 18953 12636 1 14 . 1 1 30 30 PHE N N 30 112.713 112.713 109.803 2.910 18953 12637 1 14 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.660 0.022 18953 12638 1 14 . 1 1 30 30 PHE C C 30 177.785 177.785 173.573 4.212 18953 12639 1 14 . 1 1 30 30 PHE CA C 30 55.924 55.924 55.989 -0.065 18953 12640 1 14 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.023 -0.279 18953 12641 1 14 . 1 1 30 30 PHE H H 30 7.173 7.173 7.219 -0.046 18953 12642 1 14 . 1 1 31 31 ASN N N 31 115.959 115.959 119.025 -3.066 18953 12643 1 14 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.351 0.359 18953 12644 1 14 . 1 1 31 31 ASN C C 31 176.537 176.537 174.333 2.204 18953 12645 1 14 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.419 0.133 18953 12646 1 14 . 1 1 31 31 ASN CB C 31 40.056 40.056 38.953 1.103 18953 12647 1 14 . 1 1 31 31 ASN H H 31 8.918 8.918 8.663 0.255 18953 12648 1 14 . 1 1 32 32 ARG N N 32 117.693 117.693 114.852 2.841 18953 12649 1 14 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.663 -0.036 18953 12650 1 14 . 1 1 32 32 ARG C C 32 178.177 178.177 173.640 4.537 18953 12651 1 14 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.381 -0.225 18953 12652 1 14 . 1 1 32 32 ARG CB C 32 33.091 33.091 32.756 0.335 18953 12653 1 14 . 1 1 32 32 ARG H H 32 7.893 7.893 7.752 0.141 18953 12654 1 14 . 1 1 33 33 CYS N N 33 119.494 119.494 120.970 -1.476 18953 12655 1 14 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.790 0.162 18953 12656 1 14 . 1 1 33 33 CYS C C 33 176.223 176.223 173.968 2.255 18953 12657 1 14 . 1 1 33 33 CYS CA C 33 58.307 58.307 58.253 0.054 18953 12658 1 14 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.889 -1.138 18953 12659 1 14 . 1 1 33 33 CYS H H 33 8.161 8.161 8.954 -0.793 18953 12660 1 14 . 1 1 34 34 HIS N N 34 126.786 126.786 124.338 2.448 18953 12661 1 14 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.514 0.508 18953 12662 1 14 . 1 1 34 34 HIS C C 34 176.224 176.224 175.049 1.175 18953 12663 1 14 . 1 1 34 34 HIS CA C 34 56.698 56.698 55.817 0.881 18953 12664 1 14 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.078 2.231 18953 12665 1 14 . 1 1 34 34 HIS H H 34 8.325 8.325 8.469 -0.144 18953 12666 1 14 . 1 1 35 35 SER N N 35 113.132 113.132 113.791 -0.659 18953 12667 1 14 . 1 1 35 35 SER HA H 35 5.264 5.264 5.143 0.121 18953 12668 1 14 . 1 1 35 35 SER C C 35 179.093 179.093 172.281 6.812 18953 12669 1 14 . 1 1 35 35 SER CA C 35 59.951 59.951 57.594 2.357 18953 12670 1 14 . 1 1 35 35 SER CB C 35 65.754 65.754 65.734 0.020 18953 12671 1 14 . 1 1 35 35 SER H H 35 8.489 8.489 8.047 0.442 18953 12672 1 14 . 1 1 36 36 ILE N N 36 119.607 119.607 122.130 -2.523 18953 12673 1 14 . 1 1 36 36 ILE HA H 36 5.369 5.369 5.059 0.309 18953 12674 1 14 . 1 1 36 36 ILE C C 36 176.313 176.313 173.034 3.279 18953 12675 1 14 . 1 1 36 36 ILE CA C 36 60.494 60.494 59.660 0.834 18953 12676 1 14 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.579 3.191 18953 12677 1 14 . 1 1 36 36 ILE H H 36 8.579 8.579 8.905 -0.326 18953 12678 1 14 . 1 1 37 37 ARG N N 37 126.328 126.328 126.828 -0.500 18953 12679 1 14 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.871 0.088 18953 12680 1 14 . 1 1 37 37 ARG C C 37 176.785 176.785 174.023 2.762 18953 12681 1 14 . 1 1 37 37 ARG CA C 37 56.114 56.114 54.938 1.176 18953 12682 1 14 . 1 1 37 37 ARG CB C 37 34.334 34.334 34.280 0.054 18953 12683 1 14 . 1 1 37 37 ARG H H 37 9.342 9.342 9.057 0.285 18953 12684 1 14 . 1 1 38 38 VAL N N 38 125.466 125.466 127.748 -2.282 18953 12685 1 14 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.744 -0.420 18953 12686 1 14 . 1 1 38 38 VAL C C 38 175.196 175.196 175.792 -0.596 18953 12687 1 14 . 1 1 38 38 VAL CA C 38 62.436 62.436 61.566 0.870 18953 12688 1 14 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.715 -1.041 18953 12689 1 14 . 1 1 38 38 VAL H H 38 9.122 9.122 8.980 0.142 18953 12690 1 14 . 1 1 39 39 GLU N N 39 128.582 128.582 128.482 0.100 18953 12691 1 14 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.344 -0.260 18953 12692 1 14 . 1 1 39 39 GLU C C 39 175.200 175.200 176.417 -1.217 18953 12693 1 14 . 1 1 39 39 GLU CA C 39 58.498 58.498 57.518 0.980 18953 12694 1 14 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.781 1.049 18953 12695 1 14 . 1 1 39 39 GLU H H 39 8.258 8.258 8.576 -0.318 18953 12696 1 14 . 1 1 40 40 SER N N 40 108.412 108.412 112.360 -3.948 18953 12697 1 14 . 1 1 40 40 SER HA H 40 4.343 4.343 4.579 -0.236 18953 12698 1 14 . 1 1 40 40 SER C C 40 178.000 178.000 173.536 4.464 18953 12699 1 14 . 1 1 40 40 SER CA C 40 57.623 57.623 57.730 -0.107 18953 12700 1 14 . 1 1 40 40 SER CB C 40 64.539 64.539 65.840 -1.301 18953 12701 1 14 . 1 1 40 40 SER H H 40 7.753 7.753 7.431 0.322 18953 12702 1 14 . 1 1 41 41 GLY N N 41 109.451 109.451 109.653 -0.202 18953 12703 1 14 . 1 1 41 41 GLY C C 41 179.855 179.855 172.567 7.288 18953 12704 1 14 . 1 1 41 41 GLY CA C 41 44.884 44.884 44.976 -0.092 18953 12705 1 14 . 1 1 41 41 GLY H H 41 8.714 8.714 8.458 0.256 18953 12706 1 14 . 1 1 42 42 CYS N N 42 112.295 112.295 118.412 -6.117 18953 12707 1 14 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.184 -0.250 18953 12708 1 14 . 1 1 42 42 CYS C C 42 178.663 178.663 173.409 5.254 18953 12709 1 14 . 1 1 42 42 CYS CA C 42 56.877 56.877 57.350 -0.473 18953 12710 1 14 . 1 1 42 42 CYS CB C 42 31.679 31.679 32.540 -0.861 18953 12711 1 14 . 1 1 42 42 CYS H H 42 7.794 7.794 8.275 -0.481 18953 12712 1 14 . 1 1 43 43 PHE N N 43 118.841 118.841 118.833 0.008 18953 12713 1 14 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.585 0.539 18953 12714 1 14 . 1 1 43 43 PHE C C 43 178.045 178.045 172.972 5.073 18953 12715 1 14 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.727 -1.237 18953 12716 1 14 . 1 1 43 43 PHE CB C 43 44.957 44.957 44.112 0.845 18953 12717 1 14 . 1 1 43 43 PHE H H 43 8.509 8.509 8.326 0.183 18953 12718 1 14 . 1 1 44 44 MET N N 44 119.494 119.494 124.890 -5.396 18953 12719 1 14 . 1 1 44 44 MET HA H 44 5.442 5.442 4.851 0.591 18953 12720 1 14 . 1 1 44 44 MET C C 44 174.336 174.336 173.994 0.342 18953 12721 1 14 . 1 1 44 44 MET CA C 44 52.992 52.992 53.157 -0.166 18953 12722 1 14 . 1 1 44 44 MET CB C 44 33.835 33.835 34.310 -0.475 18953 12723 1 14 . 1 1 44 44 MET H H 44 9.110 9.110 8.507 0.603 18953 12724 1 14 . 1 1 45 45 VAL N N 45 117.666 117.666 122.101 -4.435 18953 12725 1 14 . 1 1 45 45 VAL HA H 45 5.387 5.387 5.030 0.357 18953 12726 1 14 . 1 1 45 45 VAL C C 45 177.844 177.844 173.719 4.125 18953 12727 1 14 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.599 0.034 18953 12728 1 14 . 1 1 45 45 VAL CB C 45 34.280 34.280 34.005 0.275 18953 12729 1 14 . 1 1 45 45 VAL H H 45 9.345 9.345 8.614 0.731 18953 12730 1 14 . 1 1 46 46 TYR N N 46 117.876 117.876 123.070 -5.194 18953 12731 1 14 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.362 0.643 18953 12732 1 14 . 1 1 46 46 TYR C C 46 173.152 173.152 175.445 -2.293 18953 12733 1 14 . 1 1 46 46 TYR CA C 46 56.683 56.683 56.690 -0.007 18953 12734 1 14 . 1 1 46 46 TYR CB C 46 41.025 41.025 41.845 -0.820 18953 12735 1 14 . 1 1 46 46 TYR H H 46 8.145 8.145 9.310 -1.165 18953 12736 1 14 . 1 1 47 47 ASP N N 47 119.783 119.783 121.904 -2.121 18953 12737 1 14 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.682 0.203 18953 12738 1 14 . 1 1 47 47 ASP C C 47 176.040 176.040 175.783 0.257 18953 12739 1 14 . 1 1 47 47 ASP CA C 47 53.826 53.826 54.790 -0.964 18953 12740 1 14 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.869 -0.802 18953 12741 1 14 . 1 1 47 47 ASP H H 47 8.690 8.690 8.699 -0.009 18953 12742 1 14 . 1 1 48 48 ARG N N 48 116.008 116.008 117.230 -1.222 18953 12743 1 14 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.677 0.061 18953 12744 1 14 . 1 1 48 48 ARG C C 48 175.495 175.495 175.257 0.238 18953 12745 1 14 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.288 0.057 18953 12746 1 14 . 1 1 48 48 ARG CB C 48 34.662 34.662 33.831 0.831 18953 12747 1 14 . 1 1 48 48 ARG H H 48 7.627 7.627 7.987 -0.360 18953 12748 1 14 . 1 1 49 49 THR N N 49 110.526 110.526 114.616 -4.090 18953 12749 1 14 . 1 1 49 49 THR HA H 49 3.790 3.790 4.313 -0.523 18953 12750 1 14 . 1 1 49 49 THR C C 49 176.951 176.951 174.450 2.501 18953 12751 1 14 . 1 1 49 49 THR CA C 49 62.112 62.112 62.528 -0.416 18953 12752 1 14 . 1 1 49 49 THR CB C 49 70.189 70.189 69.231 0.958 18953 12753 1 14 . 1 1 49 49 THR H H 49 8.173 8.173 8.466 -0.293 18953 12754 1 14 . 1 1 50 50 ASN N N 50 112.515 112.515 117.938 -5.423 18953 12755 1 14 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.532 -0.283 18953 12756 1 14 . 1 1 50 50 ASN C C 50 178.172 178.172 173.757 4.415 18953 12757 1 14 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.712 0.665 18953 12758 1 14 . 1 1 50 50 ASN CB C 50 36.907 36.907 37.221 -0.314 18953 12759 1 14 . 1 1 50 50 ASN H H 50 9.654 9.654 8.292 1.362 18953 12760 1 14 . 1 1 51 51 PHE N N 51 110.557 110.557 108.710 1.847 18953 12761 1 14 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.527 0.123 18953 12762 1 14 . 1 1 51 51 PHE C C 51 176.292 176.292 174.562 1.730 18953 12763 1 14 . 1 1 51 51 PHE CA C 51 55.668 55.668 58.098 -2.430 18953 12764 1 14 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.410 0.522 18953 12765 1 14 . 1 1 51 51 PHE H H 51 7.568 7.568 7.669 -0.101 18953 12766 1 14 . 1 1 52 52 MET N N 52 117.547 117.547 117.160 0.387 18953 12767 1 14 . 1 1 52 52 MET HA H 52 4.859 4.859 4.874 -0.015 18953 12768 1 14 . 1 1 52 52 MET C C 52 177.399 177.399 175.004 2.395 18953 12769 1 14 . 1 1 52 52 MET CA C 52 53.946 53.946 54.546 -0.600 18953 12770 1 14 . 1 1 52 52 MET CB C 52 35.335 35.335 37.352 -2.017 18953 12771 1 14 . 1 1 52 52 MET H H 52 6.355 6.355 7.493 -1.138 18953 12772 1 14 . 1 1 53 53 GLY N N 53 103.445 103.445 106.375 -2.930 18953 12773 1 14 . 1 1 53 53 GLY C C 53 175.327 175.327 174.287 1.040 18953 12774 1 14 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.582 0.001 18953 12775 1 14 . 1 1 53 53 GLY H H 53 8.256 8.256 8.520 -0.264 18953 12776 1 14 . 1 1 54 54 ARG N N 54 124.195 124.195 122.484 1.711 18953 12777 1 14 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.073 0.089 18953 12778 1 14 . 1 1 54 54 ARG C C 54 177.235 177.235 175.989 1.246 18953 12779 1 14 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.309 -0.109 18953 12780 1 14 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.141 1.074 18953 12781 1 14 . 1 1 54 54 ARG H H 54 9.034 9.034 8.639 0.395 18953 12782 1 14 . 1 1 55 55 GLN N N 55 118.867 118.867 122.630 -3.763 18953 12783 1 14 . 1 1 55 55 GLN HA H 55 5.019 5.019 5.020 -0.001 18953 12784 1 14 . 1 1 55 55 GLN C C 55 176.166 176.166 174.916 1.250 18953 12785 1 14 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.619 -1.505 18953 12786 1 14 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.924 0.547 18953 12787 1 14 . 1 1 55 55 GLN H H 55 7.657 7.657 8.318 -0.661 18953 12788 1 14 . 1 1 56 56 TYR N N 56 117.323 117.323 122.156 -4.833 18953 12789 1 14 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.737 -0.287 18953 12790 1 14 . 1 1 56 56 TYR C C 56 177.276 177.276 173.919 3.357 18953 12791 1 14 . 1 1 56 56 TYR CA C 56 57.213 57.213 57.074 0.139 18953 12792 1 14 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.562 -1.002 18953 12793 1 14 . 1 1 56 56 TYR H H 56 8.704 8.704 8.867 -0.163 18953 12794 1 14 . 1 1 57 57 PHE N N 57 125.557 125.557 124.390 1.167 18953 12795 1 14 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.882 0.335 18953 12796 1 14 . 1 1 57 57 PHE C C 57 176.412 176.412 174.176 2.236 18953 12797 1 14 . 1 1 57 57 PHE CA C 57 58.371 58.371 57.015 1.356 18953 12798 1 14 . 1 1 57 57 PHE CB C 57 40.989 40.989 40.339 0.650 18953 12799 1 14 . 1 1 57 57 PHE H H 57 8.600 8.600 8.824 -0.224 18953 12800 1 14 . 1 1 58 58 LEU N N 58 129.141 129.141 129.434 -0.293 18953 12801 1 14 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.584 -0.229 18953 12802 1 14 . 1 1 58 58 LEU C C 58 177.356 177.356 175.347 2.009 18953 12803 1 14 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.330 0.520 18953 12804 1 14 . 1 1 58 58 LEU CB C 58 44.886 44.886 44.018 0.868 18953 12805 1 14 . 1 1 58 58 LEU H H 58 8.969 8.969 8.234 0.735 18953 12806 1 14 . 1 1 59 59 ARG N N 59 118.569 118.569 123.483 -4.914 18953 12807 1 14 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.420 0.142 18953 12808 1 14 . 1 1 59 59 ARG C C 59 175.341 175.341 175.854 -0.513 18953 12809 1 14 . 1 1 59 59 ARG CA C 59 53.734 53.734 54.946 -1.212 18953 12810 1 14 . 1 1 59 59 ARG CB C 59 32.396 32.396 31.864 0.532 18953 12811 1 14 . 1 1 59 59 ARG H H 59 7.107 7.107 8.683 -1.576 18953 12812 1 14 . 1 1 60 60 ARG N N 60 121.635 121.635 120.481 1.154 18953 12813 1 14 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.989 -0.024 18953 12814 1 14 . 1 1 60 60 ARG C C 60 175.525 175.525 175.749 -0.224 18953 12815 1 14 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.121 0.833 18953 12816 1 14 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.694 1.196 18953 12817 1 14 . 1 1 60 60 ARG H H 60 8.258 8.258 8.159 0.099 18953 12818 1 14 . 1 1 61 61 GLY N N 61 112.955 112.955 112.019 0.936 18953 12819 1 14 . 1 1 61 61 GLY C C 61 180.518 180.518 171.871 8.647 18953 12820 1 14 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.820 -0.142 18953 12821 1 14 . 1 1 61 61 GLY H H 61 8.706 8.706 8.303 0.403 18953 12822 1 14 . 1 1 62 62 GLU N N 62 117.563 117.563 119.444 -1.881 18953 12823 1 14 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.544 0.005 18953 12824 1 14 . 1 1 62 62 GLU C C 62 176.249 176.249 175.201 1.048 18953 12825 1 14 . 1 1 62 62 GLU CA C 62 55.813 55.813 54.895 0.918 18953 12826 1 14 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.204 1.640 18953 12827 1 14 . 1 1 62 62 GLU H H 62 8.161 8.161 8.362 -0.201 18953 12828 1 14 . 1 1 63 63 TYR N N 63 119.057 119.057 126.117 -7.060 18953 12829 1 14 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.946 0.230 18953 12830 1 14 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.125 -0.852 18953 12831 1 14 . 1 1 63 63 TYR CB C 63 38.048 38.048 40.350 -2.303 18953 12832 1 14 . 1 1 63 63 TYR H H 63 8.827 8.827 8.684 0.143 18953 12833 1 14 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.031 -0.347 18953 12834 1 14 . 1 1 64 64 PRO CA C 64 64.970 64.970 63.816 1.154 18953 12835 1 14 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.316 -0.181 18953 12836 1 14 . 1 1 65 65 ASP N N 65 118.810 118.810 115.435 3.375 18953 12837 1 14 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.354 -0.307 18953 12838 1 14 . 1 1 65 65 ASP C C 65 174.175 174.175 175.033 -0.858 18953 12839 1 14 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.510 0.064 18953 12840 1 14 . 1 1 65 65 ASP CB C 65 39.805 39.805 44.346 -4.541 18953 12841 1 14 . 1 1 65 65 ASP H H 65 8.600 8.600 7.602 0.998 18953 12842 1 14 . 1 1 66 66 TYR N N 66 119.662 119.662 117.273 2.389 18953 12843 1 14 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.899 -0.498 18953 12844 1 14 . 1 1 66 66 TYR C C 66 175.431 175.431 174.734 0.697 18953 12845 1 14 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.266 3.708 18953 12846 1 14 . 1 1 66 66 TYR CB C 66 38.024 38.024 39.732 -1.708 18953 12847 1 14 . 1 1 66 66 TYR H H 66 6.530 6.530 8.038 -1.508 18953 12848 1 14 . 1 1 67 67 MET N N 67 121.502 121.502 118.244 3.258 18953 12849 1 14 . 1 1 67 67 MET HA H 67 3.626 3.626 4.164 -0.538 18953 12850 1 14 . 1 1 67 67 MET C C 67 172.742 172.742 177.279 -4.537 18953 12851 1 14 . 1 1 67 67 MET CA C 67 59.998 59.998 57.556 2.442 18953 12852 1 14 . 1 1 67 67 MET CB C 67 32.064 32.064 33.054 -0.990 18953 12853 1 14 . 1 1 67 67 MET H H 67 8.299 8.299 7.659 0.640 18953 12854 1 14 . 1 1 68 68 ARG N N 68 116.824 116.824 118.378 -1.554 18953 12855 1 14 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.290 -0.135 18953 12856 1 14 . 1 1 68 68 ARG C C 68 171.982 171.982 177.027 -5.045 18953 12857 1 14 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.230 0.370 18953 12858 1 14 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.129 0.927 18953 12859 1 14 . 1 1 68 68 ARG H H 68 6.919 6.919 8.266 -1.347 18953 12860 1 14 . 1 1 69 69 THR N N 69 111.292 111.292 108.911 2.381 18953 12861 1 14 . 1 1 69 69 THR HA H 69 4.101 4.101 4.193 -0.092 18953 12862 1 14 . 1 1 69 69 THR C C 69 174.584 174.584 175.329 -0.745 18953 12863 1 14 . 1 1 69 69 THR CA C 69 65.512 65.512 63.946 1.566 18953 12864 1 14 . 1 1 69 69 THR CB C 69 68.821 68.821 68.794 0.027 18953 12865 1 14 . 1 1 69 69 THR H H 69 8.020 8.020 7.900 0.120 18953 12866 1 14 . 1 1 70 70 MET N N 70 117.481 117.481 118.633 -1.152 18953 12867 1 14 . 1 1 70 70 MET HA H 70 4.496 4.496 4.532 -0.036 18953 12868 1 14 . 1 1 70 70 MET C C 70 175.015 175.015 176.379 -1.364 18953 12869 1 14 . 1 1 70 70 MET CA C 70 56.029 56.029 55.356 0.673 18953 12870 1 14 . 1 1 70 70 MET CB C 70 33.013 33.013 34.304 -1.291 18953 12871 1 14 . 1 1 70 70 MET H H 70 8.315 8.315 7.490 0.825 18953 12872 1 14 . 1 1 71 71 GLY N N 71 108.537 108.537 108.705 -0.168 18953 12873 1 14 . 1 1 71 71 GLY C C 71 176.534 176.534 173.300 3.234 18953 12874 1 14 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.224 1.986 18953 12875 1 14 . 1 1 71 71 GLY H H 71 7.352 7.352 7.803 -0.451 18953 12876 1 14 . 1 1 72 72 MET N N 72 118.363 118.363 118.720 -0.357 18953 12877 1 14 . 1 1 72 72 MET HA H 72 4.375 4.375 4.843 -0.468 18953 12878 1 14 . 1 1 72 72 MET C C 72 176.034 176.034 175.287 0.747 18953 12879 1 14 . 1 1 72 72 MET CA C 72 55.884 55.884 54.101 1.783 18953 12880 1 14 . 1 1 72 72 MET CB C 72 35.756 35.756 36.023 -0.267 18953 12881 1 14 . 1 1 72 72 MET H H 72 7.888 7.888 7.596 0.292 18953 12882 1 14 . 1 1 73 73 ASN N N 73 119.052 119.052 121.796 -2.744 18953 12883 1 14 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.710 0.011 18953 12884 1 14 . 1 1 73 73 ASN C C 73 177.307 177.307 173.980 3.327 18953 12885 1 14 . 1 1 73 73 ASN CA C 73 53.866 53.866 53.114 0.752 18953 12886 1 14 . 1 1 73 73 ASN CB C 73 39.872 39.872 37.441 2.431 18953 12887 1 14 . 1 1 73 73 ASN H H 73 8.956 8.956 8.872 0.084 18953 12888 1 14 . 1 1 74 74 ASP N N 74 118.536 118.536 117.460 1.076 18953 12889 1 14 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.622 0.254 18953 12890 1 14 . 1 1 74 74 ASP C C 74 177.595 177.595 174.543 3.052 18953 12891 1 14 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.845 -1.299 18953 12892 1 14 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.039 3.004 18953 12893 1 14 . 1 1 74 74 ASP H H 74 7.831 7.831 7.709 0.122 18953 12894 1 14 . 1 1 75 75 CYS N N 75 116.378 116.378 117.468 -1.090 18953 12895 1 14 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.021 -0.360 18953 12896 1 14 . 1 1 75 75 CYS C C 75 177.301 177.301 175.489 1.812 18953 12897 1 14 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.734 1.338 18953 12898 1 14 . 1 1 75 75 CYS CB C 75 29.613 29.613 29.543 0.070 18953 12899 1 14 . 1 1 75 75 CYS H H 75 8.527 8.527 8.539 -0.012 18953 12900 1 14 . 1 1 76 76 VAL N N 76 116.516 116.516 119.294 -2.778 18953 12901 1 14 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.163 -0.253 18953 12902 1 14 . 1 1 76 76 VAL C C 76 175.906 175.906 176.077 -0.171 18953 12903 1 14 . 1 1 76 76 VAL CA C 76 63.823 63.823 64.218 -0.395 18953 12904 1 14 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.406 0.299 18953 12905 1 14 . 1 1 76 76 VAL H H 76 7.296 7.296 8.329 -1.033 18953 12906 1 14 . 1 1 77 77 ARG N N 77 120.435 120.435 123.928 -3.493 18953 12907 1 14 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.416 -0.036 18953 12908 1 14 . 1 1 77 77 ARG C C 77 175.519 175.519 176.067 -0.548 18953 12909 1 14 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.386 -0.978 18953 12910 1 14 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.244 1.968 18953 12911 1 14 . 1 1 77 77 ARG H H 77 8.923 8.923 8.756 0.167 18953 12912 1 14 . 1 1 78 78 SER N N 78 110.315 110.315 114.010 -3.695 18953 12913 1 14 . 1 1 78 78 SER HA H 78 4.533 4.533 5.404 -0.871 18953 12914 1 14 . 1 1 78 78 SER C C 78 177.603 177.603 172.717 4.886 18953 12915 1 14 . 1 1 78 78 SER CA C 78 59.512 59.512 57.024 2.488 18953 12916 1 14 . 1 1 78 78 SER CB C 78 65.883 65.883 66.231 -0.348 18953 12917 1 14 . 1 1 78 78 SER H H 78 8.100 8.100 8.209 -0.109 18953 12918 1 14 . 1 1 79 79 CYS N N 79 112.901 112.901 118.555 -5.654 18953 12919 1 14 . 1 1 79 79 CYS HA H 79 6.317 6.317 6.035 0.282 18953 12920 1 14 . 1 1 79 79 CYS C C 79 179.601 179.601 172.859 6.742 18953 12921 1 14 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.491 -1.012 18953 12922 1 14 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.318 0.032 18953 12923 1 14 . 1 1 79 79 CYS H H 79 9.438 9.438 9.403 0.035 18953 12924 1 14 . 1 1 80 80 ARG N N 80 122.877 122.877 122.871 0.006 18953 12925 1 14 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.820 0.207 18953 12926 1 14 . 1 1 80 80 ARG C C 80 176.888 176.888 173.457 3.431 18953 12927 1 14 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.873 -0.187 18953 12928 1 14 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.783 -0.097 18953 12929 1 14 . 1 1 80 80 ARG H H 80 10.005 10.005 9.319 0.686 18953 12930 1 14 . 1 1 81 81 MET N N 81 125.699 125.699 122.523 3.176 18953 12931 1 14 . 1 1 81 81 MET HA H 81 3.494 3.494 3.493 0.001 18953 12932 1 14 . 1 1 81 81 MET C C 81 176.369 176.369 175.084 1.285 18953 12933 1 14 . 1 1 81 81 MET CA C 81 55.587 55.587 54.778 0.809 18953 12934 1 14 . 1 1 81 81 MET CB C 81 34.241 34.241 34.216 0.025 18953 12935 1 14 . 1 1 81 81 MET H H 81 9.198 9.198 8.357 0.841 18953 12936 1 14 . 1 1 82 82 ILE N N 82 131.119 131.119 126.524 4.595 18953 12937 1 14 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.016 0.018 18953 12938 1 14 . 1 1 82 82 ILE CA C 82 58.850 58.850 59.196 -0.346 18953 12939 1 14 . 1 1 82 82 ILE CB C 82 38.193 38.193 36.426 1.767 18953 12940 1 14 . 1 1 82 82 ILE H H 82 7.744 7.744 8.387 -0.643 18953 12941 1 14 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.346 -0.145 18953 12942 1 14 . 1 1 83 83 PRO C C 83 176.434 176.434 176.741 -0.307 18953 12943 1 14 . 1 1 83 83 PRO CA C 83 62.426 62.426 62.950 -0.524 18953 12944 1 14 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.453 -0.059 18953 12945 1 14 . 1 1 84 84 LEU N N 84 120.509 120.509 121.864 -1.355 18953 12946 1 14 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.511 -0.271 18953 12947 1 14 . 1 1 84 84 LEU C C 84 174.899 174.899 176.554 -1.655 18953 12948 1 14 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.040 0.487 18953 12949 1 14 . 1 1 84 84 LEU CB C 84 41.560 41.560 40.049 1.511 18953 12950 1 14 . 1 1 84 84 LEU H H 84 7.873 7.873 8.423 -0.550 18953 12951 1 14 . 1 1 85 85 HIS N N 85 125.245 125.245 119.884 5.361 18953 12952 1 14 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.258 0.326 18953 12953 1 14 . 1 1 85 85 HIS CA C 85 56.167 56.167 56.472 -0.305 18953 12954 1 14 . 1 1 85 85 HIS CB C 85 32.644 32.644 29.786 2.858 18953 12955 1 14 . 1 1 85 85 HIS H H 85 8.600 8.600 8.329 0.271 18953 12956 1 14 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.874 -0.113 18953 12957 1 14 . 1 1 86 86 HIS C C 86 177.250 177.250 174.099 3.151 18953 12958 1 14 . 1 1 86 86 HIS CA C 86 54.709 54.709 55.297 -0.588 18953 12959 1 14 . 1 1 86 86 HIS CB C 86 29.670 29.670 29.820 -0.150 18953 12960 1 14 . 1 1 86 86 HIS H H 86 8.500 8.500 8.906 -0.406 18953 12961 1 14 . 1 1 87 87 GLY N N 87 107.909 107.909 109.269 -1.360 18953 12962 1 14 . 1 1 87 87 GLY C C 87 178.627 178.627 173.622 5.005 18953 12963 1 14 . 1 1 87 87 GLY CA C 87 44.861 44.861 45.388 -0.527 18953 12964 1 14 . 1 1 87 87 GLY H H 87 6.662 6.662 8.502 -1.840 18953 12965 1 14 . 1 1 88 88 SER N N 88 116.742 116.742 114.094 2.648 18953 12966 1 14 . 1 1 88 88 SER HA H 88 4.528 4.528 4.783 -0.255 18953 12967 1 14 . 1 1 88 88 SER C C 88 178.527 178.527 172.378 6.149 18953 12968 1 14 . 1 1 88 88 SER CA C 88 58.279 58.279 58.137 0.142 18953 12969 1 14 . 1 1 88 88 SER CB C 88 64.360 64.360 65.083 -0.723 18953 12970 1 14 . 1 1 88 88 SER H H 88 8.235 8.235 8.530 -0.294 18953 12971 1 14 . 1 1 89 89 PHE N N 89 119.985 119.985 119.044 0.941 18953 12972 1 14 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.173 -0.605 18953 12973 1 14 . 1 1 89 89 PHE C C 89 176.551 176.551 175.447 1.104 18953 12974 1 14 . 1 1 89 89 PHE CA C 89 56.735 56.735 56.833 -0.098 18953 12975 1 14 . 1 1 89 89 PHE CB C 89 41.321 41.321 41.756 -0.435 18953 12976 1 14 . 1 1 89 89 PHE H H 89 8.478 8.478 8.613 -0.135 18953 12977 1 14 . 1 1 90 90 LYS N N 90 122.179 122.179 126.214 -4.035 18953 12978 1 14 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.922 0.234 18953 12979 1 14 . 1 1 90 90 LYS C C 90 177.501 177.501 173.670 3.831 18953 12980 1 14 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.674 1.138 18953 12981 1 14 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.391 -0.690 18953 12982 1 14 . 1 1 90 90 LYS H H 90 9.130 9.130 8.721 0.409 18953 12983 1 14 . 1 1 91 91 MET N N 91 127.037 127.037 125.881 1.156 18953 12984 1 14 . 1 1 91 91 MET HA H 91 4.835 4.835 4.736 0.099 18953 12985 1 14 . 1 1 91 91 MET C C 91 179.276 179.276 173.508 5.768 18953 12986 1 14 . 1 1 91 91 MET CA C 91 54.527 54.527 53.546 0.981 18953 12987 1 14 . 1 1 91 91 MET CB C 91 36.920 36.920 36.695 0.225 18953 12988 1 14 . 1 1 91 91 MET H H 91 9.202 9.202 8.806 0.396 18953 12989 1 14 . 1 1 92 92 ARG N N 92 121.520 121.520 126.906 -5.386 18953 12990 1 14 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.576 0.292 18953 12991 1 14 . 1 1 92 92 ARG C C 92 177.432 177.432 174.093 3.339 18953 12992 1 14 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.036 -0.038 18953 12993 1 14 . 1 1 92 92 ARG CB C 92 34.485 34.485 32.363 2.122 18953 12994 1 14 . 1 1 92 92 ARG H H 92 8.776 8.776 8.971 -0.195 18953 12995 1 14 . 1 1 93 93 LEU N N 93 124.749 124.749 127.107 -2.358 18953 12996 1 14 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.431 -0.156 18953 12997 1 14 . 1 1 93 93 LEU C C 93 176.662 176.662 175.203 1.459 18953 12998 1 14 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.761 -0.065 18953 12999 1 14 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.449 0.441 18953 13000 1 14 . 1 1 93 93 LEU H H 93 8.841 8.841 8.857 -0.016 18953 13001 1 14 . 1 1 94 94 TYR N N 94 116.673 116.673 121.106 -4.433 18953 13002 1 14 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.884 0.540 18953 13003 1 14 . 1 1 94 94 TYR C C 94 175.232 175.232 175.506 -0.274 18953 13004 1 14 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.101 -0.040 18953 13005 1 14 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.162 -0.799 18953 13006 1 14 . 1 1 94 94 TYR H H 94 8.161 8.161 8.942 -0.781 18953 13007 1 14 . 1 1 95 95 GLU N N 95 121.556 121.556 123.920 -2.364 18953 13008 1 14 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.233 -0.199 18953 13009 1 14 . 1 1 95 95 GLU C C 95 174.587 174.587 176.375 -1.788 18953 13010 1 14 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.541 0.419 18953 13011 1 14 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.234 3.290 18953 13012 1 14 . 1 1 95 95 GLU H H 95 8.537 8.537 8.410 0.127 18953 13013 1 14 . 1 1 96 96 HIS N N 96 113.214 113.214 116.787 -3.573 18953 13014 1 14 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.759 0.547 18953 13015 1 14 . 1 1 96 96 HIS C C 96 175.830 175.830 175.444 0.386 18953 13016 1 14 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.836 -0.690 18953 13017 1 14 . 1 1 96 96 HIS CB C 96 33.364 33.364 31.781 1.583 18953 13018 1 14 . 1 1 96 96 HIS H H 96 8.154 8.154 7.704 0.450 18953 13019 1 14 . 1 1 97 97 SER N N 97 115.997 115.997 115.541 0.456 18953 13020 1 14 . 1 1 97 97 SER HA H 97 4.196 4.196 4.670 -0.474 18953 13021 1 14 . 1 1 97 97 SER C C 97 177.588 177.588 175.368 2.220 18953 13022 1 14 . 1 1 97 97 SER CA C 97 59.180 59.180 59.019 0.161 18953 13023 1 14 . 1 1 97 97 SER CB C 97 63.740 63.740 63.899 -0.159 18953 13024 1 14 . 1 1 97 97 SER H H 97 8.728 8.728 8.537 0.191 18953 13025 1 14 . 1 1 98 98 ASP N N 98 116.560 116.560 122.087 -5.527 18953 13026 1 14 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.284 -0.319 18953 13027 1 14 . 1 1 98 98 ASP C C 98 176.991 176.991 175.433 1.558 18953 13028 1 14 . 1 1 98 98 ASP CA C 98 56.873 56.873 57.005 -0.132 18953 13029 1 14 . 1 1 98 98 ASP CB C 98 39.514 39.514 40.070 -0.556 18953 13030 1 14 . 1 1 98 98 ASP H H 98 9.714 9.714 8.708 1.006 18953 13031 1 14 . 1 1 99 99 MET N N 99 112.109 112.109 119.061 -6.952 18953 13032 1 14 . 1 1 99 99 MET HA H 99 2.689 2.689 3.879 -1.190 18953 13033 1 14 . 1 1 99 99 MET C C 99 176.133 176.133 175.196 0.937 18953 13034 1 14 . 1 1 99 99 MET CA C 99 56.596 56.596 53.919 2.677 18953 13035 1 14 . 1 1 99 99 MET CB C 99 27.203 27.203 32.850 -5.647 18953 13036 1 14 . 1 1 99 99 MET H H 99 8.425 8.425 7.825 0.600 18953 13037 1 14 . 1 1 100 100 GLY N N 100 104.572 104.572 108.214 -3.642 18953 13038 1 14 . 1 1 100 100 GLY C C 100 177.855 177.855 174.340 3.515 18953 13039 1 14 . 1 1 100 100 GLY CA C 100 44.345 44.345 43.995 0.350 18953 13040 1 14 . 1 1 100 100 GLY H H 100 6.670 6.670 7.503 -0.834 18953 13041 1 14 . 1 1 101 101 GLY N N 101 105.792 105.792 107.104 -1.312 18953 13042 1 14 . 1 1 101 101 GLY C C 101 177.525 177.525 174.031 3.494 18953 13043 1 14 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.120 0.986 18953 13044 1 14 . 1 1 101 101 GLY H H 101 8.446 8.446 7.939 0.507 18953 13045 1 14 . 1 1 102 102 ARG N N 102 121.688 121.688 120.606 1.082 18953 13046 1 14 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.174 -0.176 18953 13047 1 14 . 1 1 102 102 ARG C C 102 177.803 177.803 176.716 1.087 18953 13048 1 14 . 1 1 102 102 ARG CA C 102 58.368 58.368 56.377 1.990 18953 13049 1 14 . 1 1 102 102 ARG CB C 102 31.684 31.684 30.821 0.863 18953 13050 1 14 . 1 1 102 102 ARG H H 102 8.785 8.785 8.185 0.600 18953 13051 1 14 . 1 1 103 103 MET N N 103 122.371 122.371 122.539 -0.168 18953 13052 1 14 . 1 1 103 103 MET HA H 103 4.754 4.754 4.966 -0.212 18953 13053 1 14 . 1 1 103 103 MET C C 103 175.490 175.490 174.887 0.603 18953 13054 1 14 . 1 1 103 103 MET CA C 103 53.993 53.993 54.494 -0.501 18953 13055 1 14 . 1 1 103 103 MET CB C 103 34.860 34.860 33.076 1.784 18953 13056 1 14 . 1 1 103 103 MET H H 103 7.905 7.905 8.319 -0.414 18953 13057 1 14 . 1 1 104 104 MET N N 104 127.629 127.629 124.069 3.560 18953 13058 1 14 . 1 1 104 104 MET HA H 104 4.318 4.318 4.644 -0.326 18953 13059 1 14 . 1 1 104 104 MET C C 104 177.870 177.870 174.730 3.140 18953 13060 1 14 . 1 1 104 104 MET CA C 104 54.080 54.080 54.598 -0.518 18953 13061 1 14 . 1 1 104 104 MET CB C 104 35.315 35.315 35.651 -0.337 18953 13062 1 14 . 1 1 104 104 MET H H 104 8.796 8.796 8.267 0.529 18953 13063 1 14 . 1 1 105 105 GLU N N 105 123.753 123.753 122.515 1.238 18953 13064 1 14 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.899 -0.053 18953 13065 1 14 . 1 1 105 105 GLU C C 105 176.871 176.871 175.546 1.325 18953 13066 1 14 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.360 0.328 18953 13067 1 14 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.495 2.020 18953 13068 1 14 . 1 1 105 105 GLU H H 105 8.467 8.467 8.546 -0.079 18953 13069 1 14 . 1 1 106 106 LEU N N 106 125.076 125.076 125.312 -0.236 18953 13070 1 14 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.893 -0.005 18953 13071 1 14 . 1 1 106 106 LEU C C 106 175.666 175.666 175.126 0.540 18953 13072 1 14 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.284 0.616 18953 13073 1 14 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.584 2.213 18953 13074 1 14 . 1 1 106 106 LEU H H 106 8.933 8.933 9.021 -0.088 18953 13075 1 14 . 1 1 107 107 MET N N 107 120.889 120.889 124.382 -3.493 18953 13076 1 14 . 1 1 107 107 MET HA H 107 5.152 5.152 4.999 0.153 18953 13077 1 14 . 1 1 107 107 MET C C 107 177.873 177.873 174.287 3.586 18953 13078 1 14 . 1 1 107 107 MET CA C 107 55.430 55.430 55.112 0.318 18953 13079 1 14 . 1 1 107 107 MET CB C 107 35.107 35.107 33.361 1.746 18953 13080 1 14 . 1 1 107 107 MET H H 107 9.099 9.099 9.027 0.072 18953 13081 1 14 . 1 1 108 108 ASP N N 108 120.261 120.261 118.114 2.147 18953 13082 1 14 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.717 -0.268 18953 13083 1 14 . 1 1 108 108 ASP C C 108 178.998 178.998 174.113 4.885 18953 13084 1 14 . 1 1 108 108 ASP CA C 108 51.953 51.953 53.325 -1.372 18953 13085 1 14 . 1 1 108 108 ASP CB C 108 43.335 43.335 44.169 -0.834 18953 13086 1 14 . 1 1 108 108 ASP H H 108 7.874 7.874 7.858 0.016 18953 13087 1 14 . 1 1 109 109 ASP N N 109 115.191 115.191 120.221 -5.030 18953 13088 1 14 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.727 0.111 18953 13089 1 14 . 1 1 109 109 ASP C C 109 174.768 174.768 175.336 -0.568 18953 13090 1 14 . 1 1 109 109 ASP CA C 109 55.106 55.106 54.297 0.809 18953 13091 1 14 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.199 -0.141 18953 13092 1 14 . 1 1 109 109 ASP H H 109 8.065 8.065 8.412 -0.347 18953 13093 1 14 . 1 1 110 110 CYS N N 110 120.716 120.716 122.753 -2.037 18953 13094 1 14 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.984 0.155 18953 13095 1 14 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.618 0.199 18953 13096 1 14 . 1 1 110 110 CYS CB C 110 29.730 29.730 29.336 0.394 18953 13097 1 14 . 1 1 110 110 CYS H H 110 9.583 9.583 8.459 1.124 18953 13098 1 14 . 1 1 111 111 PRO HA H 111 3.971 3.971 3.931 0.040 18953 13099 1 14 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.372 -0.228 18953 13100 1 14 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.381 -0.472 18953 13101 1 14 . 1 1 112 112 ASN N N 112 116.300 116.300 114.803 1.497 18953 13102 1 14 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.808 -0.033 18953 13103 1 14 . 1 1 112 112 ASN C C 112 175.948 175.948 175.441 0.507 18953 13104 1 14 . 1 1 112 112 ASN CA C 112 54.121 54.121 51.458 2.663 18953 13105 1 14 . 1 1 112 112 ASN CB C 112 38.709 38.709 38.301 0.408 18953 13106 1 14 . 1 1 112 112 ASN H H 112 7.385 7.385 7.747 -0.362 18953 13107 1 14 . 1 1 113 113 LEU N N 113 129.895 129.895 122.796 7.099 18953 13108 1 14 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.176 -0.019 18953 13109 1 14 . 1 1 113 113 LEU C C 113 173.709 173.709 178.091 -4.382 18953 13110 1 14 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.908 0.981 18953 13111 1 14 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.255 0.196 18953 13112 1 14 . 1 1 113 113 LEU H H 113 8.154 8.154 8.584 -0.430 18953 13113 1 14 . 1 1 114 114 MET N N 114 120.939 120.939 118.385 2.554 18953 13114 1 14 . 1 1 114 114 MET HA H 114 4.204 4.204 4.112 0.092 18953 13115 1 14 . 1 1 114 114 MET C C 114 171.942 171.942 177.465 -5.523 18953 13116 1 14 . 1 1 114 114 MET CA C 114 58.354 58.354 58.661 -0.307 18953 13117 1 14 . 1 1 114 114 MET CB C 114 31.118 31.118 32.104 -0.986 18953 13118 1 14 . 1 1 114 114 MET H H 114 8.421 8.421 8.249 0.172 18953 13119 1 14 . 1 1 115 115 ASP N N 115 119.204 119.204 118.365 0.839 18953 13120 1 14 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.556 -0.283 18953 13121 1 14 . 1 1 115 115 ASP C C 115 174.228 174.228 177.948 -3.720 18953 13122 1 14 . 1 1 115 115 ASP CA C 115 56.737 56.737 56.078 0.659 18953 13123 1 14 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.503 0.118 18953 13124 1 14 . 1 1 115 115 ASP H H 115 7.695 7.695 7.810 -0.115 18953 13125 1 14 . 1 1 116 116 ARG N N 116 116.937 116.937 118.905 -1.968 18953 13126 1 14 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.061 -0.003 18953 13127 1 14 . 1 1 116 116 ARG C C 116 174.084 174.084 177.636 -3.552 18953 13128 1 14 . 1 1 116 116 ARG CA C 116 57.839 57.839 57.662 0.177 18953 13129 1 14 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.407 1.692 18953 13130 1 14 . 1 1 116 116 ARG H H 116 7.118 7.118 7.328 -0.210 18953 13131 1 14 . 1 1 117 117 PHE N N 117 113.914 113.914 115.055 -1.141 18953 13132 1 14 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.716 0.409 18953 13133 1 14 . 1 1 117 117 PHE C C 117 175.681 175.681 174.571 1.110 18953 13134 1 14 . 1 1 117 117 PHE CA C 117 57.040 57.040 57.663 -0.623 18953 13135 1 14 . 1 1 117 117 PHE CB C 117 41.881 41.881 39.168 2.713 18953 13136 1 14 . 1 1 117 117 PHE H H 117 8.641 8.641 7.900 0.741 18953 13137 1 14 . 1 1 118 118 ASN N N 118 117.137 117.137 115.396 1.741 18953 13138 1 14 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.629 0.217 18953 13139 1 14 . 1 1 118 118 ASN C C 118 177.553 177.553 174.506 3.047 18953 13140 1 14 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.243 0.795 18953 13141 1 14 . 1 1 118 118 ASN CB C 118 38.049 38.049 36.438 1.611 18953 13142 1 14 . 1 1 118 118 ASN H H 118 8.478 8.478 7.981 0.497 18953 13143 1 14 . 1 1 119 119 MET N N 119 114.316 114.316 115.268 -0.952 18953 13144 1 14 . 1 1 119 119 MET HA H 119 4.386 4.386 4.781 -0.395 18953 13145 1 14 . 1 1 119 119 MET C C 119 178.321 178.321 173.828 4.493 18953 13146 1 14 . 1 1 119 119 MET CA C 119 55.950 55.950 54.613 1.337 18953 13147 1 14 . 1 1 119 119 MET CB C 119 37.233 37.233 35.669 1.564 18953 13148 1 14 . 1 1 119 119 MET H H 119 7.286 7.286 7.287 -0.001 18953 13149 1 14 . 1 1 120 120 SER N N 120 111.310 111.310 114.215 -2.905 18953 13150 1 14 . 1 1 120 120 SER HA H 120 4.682 4.682 4.958 -0.276 18953 13151 1 14 . 1 1 120 120 SER C C 120 179.047 179.047 172.966 6.081 18953 13152 1 14 . 1 1 120 120 SER CA C 120 57.435 57.435 57.801 -0.366 18953 13153 1 14 . 1 1 120 120 SER CB C 120 65.594 65.594 65.078 0.516 18953 13154 1 14 . 1 1 120 120 SER H H 120 8.361 8.361 8.506 -0.145 18953 13155 1 14 . 1 1 121 121 ASP N N 121 120.422 120.422 121.509 -1.087 18953 13156 1 14 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.382 -0.300 18953 13157 1 14 . 1 1 121 121 ASP C C 121 177.532 177.532 175.123 2.409 18953 13158 1 14 . 1 1 121 121 ASP CA C 121 53.630 53.630 52.977 0.653 18953 13159 1 14 . 1 1 121 121 ASP CB C 121 43.513 43.513 41.502 2.011 18953 13160 1 14 . 1 1 121 121 ASP H H 121 6.829 6.829 7.505 -0.676 18953 13161 1 14 . 1 1 122 122 PHE N N 122 120.611 120.611 121.427 -0.816 18953 13162 1 14 . 1 1 122 122 PHE HA H 122 4.695 4.695 5.000 -0.305 18953 13163 1 14 . 1 1 122 122 PHE C C 122 177.316 177.316 175.326 1.990 18953 13164 1 14 . 1 1 122 122 PHE CA C 122 57.660 57.660 56.208 1.452 18953 13165 1 14 . 1 1 122 122 PHE CB C 122 40.871 40.871 39.916 0.955 18953 13166 1 14 . 1 1 122 122 PHE H H 122 8.376 8.376 8.299 0.077 18953 13167 1 14 . 1 1 123 123 HIS N N 123 116.193 116.193 119.522 -3.329 18953 13168 1 14 . 1 1 123 123 HIS HA H 123 4.765 4.765 4.904 -0.139 18953 13169 1 14 . 1 1 123 123 HIS C C 123 176.431 176.431 175.128 1.303 18953 13170 1 14 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.577 1.028 18953 13171 1 14 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.227 2.053 18953 13172 1 14 . 1 1 123 123 HIS H H 123 7.577 7.577 8.956 -1.379 18953 13173 1 14 . 1 1 124 124 SER N N 124 107.332 107.332 113.019 -5.687 18953 13174 1 14 . 1 1 124 124 SER HA H 124 4.698 4.698 5.281 -0.583 18953 13175 1 14 . 1 1 124 124 SER C C 124 178.179 178.179 172.358 5.821 18953 13176 1 14 . 1 1 124 124 SER CA C 124 59.556 59.556 57.290 2.266 18953 13177 1 14 . 1 1 124 124 SER CB C 124 65.667 65.667 65.188 0.479 18953 13178 1 14 . 1 1 124 124 SER H H 124 8.256 8.256 8.357 -0.101 18953 13179 1 14 . 1 1 125 125 CYS N N 125 113.874 113.874 117.846 -3.972 18953 13180 1 14 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.615 -0.064 18953 13181 1 14 . 1 1 125 125 CYS C C 125 179.655 179.655 172.709 6.946 18953 13182 1 14 . 1 1 125 125 CYS CA C 125 57.871 57.871 57.842 0.029 18953 13183 1 14 . 1 1 125 125 CYS CB C 125 30.586 30.586 31.534 -0.948 18953 13184 1 14 . 1 1 125 125 CYS H H 125 9.561 9.561 8.757 0.804 18953 13185 1 14 . 1 1 126 126 HIS N N 126 124.829 124.829 119.622 5.207 18953 13186 1 14 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.313 0.168 18953 13187 1 14 . 1 1 126 126 HIS C C 126 176.575 176.575 172.600 3.975 18953 13188 1 14 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.379 -2.072 18953 13189 1 14 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.704 1.419 18953 13190 1 14 . 1 1 126 126 HIS H H 126 9.858 9.858 8.996 0.862 18953 13191 1 14 . 1 1 127 127 VAL N N 127 128.620 128.620 124.803 3.817 18953 13192 1 14 . 1 1 127 127 VAL HA H 127 3.874 3.874 3.919 -0.045 18953 13193 1 14 . 1 1 127 127 VAL C C 127 176.660 176.660 174.280 2.380 18953 13194 1 14 . 1 1 127 127 VAL CA C 127 63.485 63.485 60.816 2.670 18953 13195 1 14 . 1 1 127 127 VAL CB C 127 30.999 30.999 32.884 -1.885 18953 13196 1 14 . 1 1 127 127 VAL H H 127 9.408 9.408 8.197 1.211 18953 13197 1 14 . 1 1 128 128 MET N N 128 129.466 129.466 127.000 2.466 18953 13198 1 14 . 1 1 128 128 MET HA H 128 3.930 3.930 4.411 -0.481 18953 13199 1 14 . 1 1 128 128 MET C C 128 176.093 176.093 175.589 0.504 18953 13200 1 14 . 1 1 128 128 MET CA C 128 58.109 58.109 56.381 1.728 18953 13201 1 14 . 1 1 128 128 MET CB C 128 34.019 34.019 33.587 0.431 18953 13202 1 14 . 1 1 128 128 MET H H 128 7.906 7.906 8.319 -0.413 18953 13203 1 14 . 1 1 129 129 ASP N N 129 116.435 116.435 115.755 0.680 18953 13204 1 14 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.515 0.317 18953 13205 1 14 . 1 1 129 129 ASP C C 129 174.959 174.959 174.113 0.846 18953 13206 1 14 . 1 1 129 129 ASP CA C 129 54.180 54.180 53.627 0.553 18953 13207 1 14 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.233 2.898 18953 13208 1 14 . 1 1 129 129 ASP H H 129 8.349 8.349 7.338 1.011 18953 13209 1 14 . 1 1 130 130 GLY N N 130 113.062 113.062 107.979 5.083 18953 13210 1 14 . 1 1 130 130 GLY C C 130 183.642 183.642 171.707 11.935 18953 13211 1 14 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.747 -0.275 18953 13212 1 14 . 1 1 130 130 GLY H H 130 8.479 8.479 8.357 0.122 18953 13213 1 14 . 1 1 131 131 HIS N N 131 114.389 114.389 118.720 -4.331 18953 13214 1 14 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.737 0.265 18953 13215 1 14 . 1 1 131 131 HIS C C 131 176.470 176.470 173.708 2.762 18953 13216 1 14 . 1 1 131 131 HIS CA C 131 56.318 56.318 54.968 1.350 18953 13217 1 14 . 1 1 131 131 HIS CB C 131 34.035 34.035 33.284 0.751 18953 13218 1 14 . 1 1 131 131 HIS H H 131 6.228 6.228 7.086 -0.858 18953 13219 1 14 . 1 1 132 132 TRP N N 132 122.333 122.333 121.926 0.407 18953 13220 1 14 . 1 1 132 132 TRP HA H 132 5.135 5.135 4.986 0.149 18953 13221 1 14 . 1 1 132 132 TRP C C 132 177.557 177.557 174.537 3.020 18953 13222 1 14 . 1 1 132 132 TRP CA C 132 56.896 56.896 55.967 0.929 18953 13223 1 14 . 1 1 132 132 TRP CB C 132 33.795 33.795 31.954 1.841 18953 13224 1 14 . 1 1 132 132 TRP H H 132 8.838 8.838 8.832 0.006 18953 13225 1 14 . 1 1 133 133 LEU N N 133 121.883 121.883 123.397 -1.514 18953 13226 1 14 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.133 -0.011 18953 13227 1 14 . 1 1 133 133 LEU C C 133 176.457 176.457 175.951 0.506 18953 13228 1 14 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.245 -0.709 18953 13229 1 14 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.486 3.084 18953 13230 1 14 . 1 1 133 133 LEU H H 133 9.403 9.403 8.965 0.438 18953 13231 1 14 . 1 1 134 134 VAL N N 134 123.013 123.013 122.540 0.473 18953 13232 1 14 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.512 0.047 18953 13233 1 14 . 1 1 134 134 VAL C C 134 177.780 177.780 174.762 3.018 18953 13234 1 14 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.162 -0.213 18953 13235 1 14 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.761 -0.672 18953 13236 1 14 . 1 1 134 134 VAL H H 134 8.948 8.948 9.125 -0.177 18953 13237 1 14 . 1 1 135 135 TYR N N 135 122.405 122.405 125.350 -2.945 18953 13238 1 14 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.967 0.573 18953 13239 1 14 . 1 1 135 135 TYR C C 135 172.456 172.456 176.138 -3.682 18953 13240 1 14 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.785 -0.788 18953 13241 1 14 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.344 -0.599 18953 13242 1 14 . 1 1 135 135 TYR H H 135 9.068 9.068 9.552 -0.484 18953 13243 1 14 . 1 1 136 136 GLU N N 136 121.335 121.335 124.692 -3.357 18953 13244 1 14 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.354 -0.251 18953 13245 1 14 . 1 1 136 136 GLU C C 136 176.022 176.022 176.763 -0.741 18953 13246 1 14 . 1 1 136 136 GLU CA C 136 59.896 59.896 59.148 0.749 18953 13247 1 14 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.554 2.373 18953 13248 1 14 . 1 1 136 136 GLU H H 136 9.360 9.360 8.465 0.895 18953 13249 1 14 . 1 1 137 137 GLN N N 137 111.530 111.530 116.206 -4.676 18953 13250 1 14 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.790 0.177 18953 13251 1 14 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.715 0.118 18953 13252 1 14 . 1 1 137 137 GLN CB C 137 29.142 29.142 31.377 -2.235 18953 13253 1 14 . 1 1 137 137 GLN H H 137 7.808 7.808 8.132 -0.324 18953 13254 1 14 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.248 -0.106 18953 13255 1 14 . 1 1 138 138 PRO C C 138 176.607 176.607 176.951 -0.344 18953 13256 1 14 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.158 -0.698 18953 13257 1 14 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.307 0.886 18953 13258 1 14 . 1 1 139 139 ASN N N 139 113.240 113.240 115.219 -1.979 18953 13259 1 14 . 1 1 139 139 ASN HA H 139 3.356 3.356 3.798 -0.442 18953 13260 1 14 . 1 1 139 139 ASN C C 139 177.996 177.996 173.634 4.362 18953 13261 1 14 . 1 1 139 139 ASN CA C 139 54.247 54.247 53.879 0.368 18953 13262 1 14 . 1 1 139 139 ASN CB C 139 36.635 36.635 36.670 -0.035 18953 13263 1 14 . 1 1 139 139 ASN H H 139 9.683 9.683 8.279 1.404 18953 13264 1 14 . 1 1 140 140 TYR N N 140 113.289 113.289 110.541 2.748 18953 13265 1 14 . 1 1 140 140 TYR HA H 140 2.760 2.760 2.966 -0.206 18953 13266 1 14 . 1 1 140 140 TYR C C 140 176.488 176.488 174.841 1.647 18953 13267 1 14 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.237 -2.941 18953 13268 1 14 . 1 1 140 140 TYR CB C 140 33.960 33.960 35.094 -1.134 18953 13269 1 14 . 1 1 140 140 TYR H H 140 8.000 8.000 7.064 0.936 18953 13270 1 14 . 1 1 141 141 THR N N 141 108.766 108.766 112.414 -3.648 18953 13271 1 14 . 1 1 141 141 THR HA H 141 4.697 4.697 4.835 -0.138 18953 13272 1 14 . 1 1 141 141 THR C C 141 178.578 178.578 173.591 4.987 18953 13273 1 14 . 1 1 141 141 THR CA C 141 60.128 60.128 60.731 -0.603 18953 13274 1 14 . 1 1 141 141 THR CB C 141 72.848 72.848 71.744 1.104 18953 13275 1 14 . 1 1 141 141 THR H H 141 6.280 6.280 7.604 -1.324 18953 13276 1 14 . 1 1 142 142 GLY N N 142 106.121 106.121 108.416 -2.295 18953 13277 1 14 . 1 1 142 142 GLY C C 142 177.117 177.117 173.518 3.599 18953 13278 1 14 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.679 -0.512 18953 13279 1 14 . 1 1 142 142 GLY H H 142 8.285 8.285 8.380 -0.095 18953 13280 1 14 . 1 1 143 143 ARG N N 143 120.212 120.212 121.836 -1.624 18953 13281 1 14 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.849 0.087 18953 13282 1 14 . 1 1 143 143 ARG C C 143 177.580 177.580 175.988 1.592 18953 13283 1 14 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.865 1.255 18953 13284 1 14 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.715 1.441 18953 13285 1 14 . 1 1 143 143 ARG H H 143 8.583 8.583 8.334 0.249 18953 13286 1 14 . 1 1 144 144 GLN N N 144 119.516 119.516 121.648 -2.132 18953 13287 1 14 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.675 0.216 18953 13288 1 14 . 1 1 144 144 GLN C C 144 176.985 176.985 175.071 1.914 18953 13289 1 14 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.685 -1.363 18953 13290 1 14 . 1 1 144 144 GLN CB C 144 32.645 32.645 29.676 2.969 18953 13291 1 14 . 1 1 144 144 GLN H H 144 7.552 7.552 7.927 -0.375 18953 13292 1 14 . 1 1 145 145 PHE N N 145 114.745 114.745 121.333 -6.588 18953 13293 1 14 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.862 -0.205 18953 13294 1 14 . 1 1 145 145 PHE C C 145 176.969 176.969 174.755 2.214 18953 13295 1 14 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.656 -0.750 18953 13296 1 14 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.604 -0.337 18953 13297 1 14 . 1 1 145 145 PHE H H 145 8.696 8.696 8.931 -0.235 18953 13298 1 14 . 1 1 146 146 TYR N N 146 124.271 124.271 126.602 -2.331 18953 13299 1 14 . 1 1 146 146 TYR HA H 146 5.274 5.274 4.961 0.313 18953 13300 1 14 . 1 1 146 146 TYR C C 146 176.212 176.212 174.333 1.879 18953 13301 1 14 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.640 -1.900 18953 13302 1 14 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.624 -0.390 18953 13303 1 14 . 1 1 146 146 TYR H H 146 8.915 8.915 9.016 -0.101 18953 13304 1 14 . 1 1 147 147 LEU N N 147 103.207 103.207 129.555 -26.348 18953 13305 1 14 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.616 -0.225 18953 13306 1 14 . 1 1 147 147 LEU C C 147 178.198 178.198 175.507 2.691 18953 13307 1 14 . 1 1 147 147 LEU CA C 147 54.969 54.969 53.992 0.977 18953 13308 1 14 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.645 1.500 18953 13309 1 14 . 1 1 147 147 LEU H H 147 9.229 9.229 8.909 0.320 18953 13310 1 14 . 1 1 148 148 ARG N N 148 120.815 120.815 123.511 -2.696 18953 13311 1 14 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.834 -0.255 18953 13312 1 14 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.703 0.291 18953 13313 1 14 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.658 -0.402 18953 13314 1 14 . 1 1 148 148 ARG H H 148 6.955 6.955 9.089 -2.134 18953 13315 1 14 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.097 0.089 18953 13316 1 14 . 1 1 149 149 PRO C C 149 175.154 175.154 177.117 -1.963 18953 13317 1 14 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.341 1.514 18953 13318 1 14 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.803 -0.166 18953 13319 1 14 . 1 1 150 150 GLY N N 150 111.695 111.695 109.906 1.789 18953 13320 1 14 . 1 1 150 150 GLY C C 150 179.740 179.740 172.041 7.699 18953 13321 1 14 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.406 0.207 18953 13322 1 14 . 1 1 150 150 GLY H H 150 8.965 8.965 7.843 1.122 18953 13323 1 14 . 1 1 151 151 GLU N N 151 118.822 118.822 120.047 -1.225 18953 13324 1 14 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.758 -0.435 18953 13325 1 14 . 1 1 151 151 GLU C C 151 176.078 176.078 175.071 1.007 18953 13326 1 14 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.516 1.037 18953 13327 1 14 . 1 1 151 151 GLU CB C 151 31.878 31.878 32.215 -0.337 18953 13328 1 14 . 1 1 151 151 GLU H H 151 8.403 8.403 8.251 0.152 18953 13329 1 14 . 1 1 152 152 TYR N N 152 123.055 123.055 122.965 0.090 18953 13330 1 14 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.749 -0.009 18953 13331 1 14 . 1 1 152 152 TYR C C 152 176.413 176.413 176.147 0.266 18953 13332 1 14 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.962 -0.993 18953 13333 1 14 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.063 -2.289 18953 13334 1 14 . 1 1 152 152 TYR H H 152 8.859 8.859 9.423 -0.564 18953 13335 1 14 . 1 1 153 153 ARG N N 153 124.271 124.271 120.206 4.065 18953 13336 1 14 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.664 -0.648 18953 13337 1 14 . 1 1 153 153 ARG C C 153 176.727 176.727 174.878 1.849 18953 13338 1 14 . 1 1 153 153 ARG CA C 153 60.204 60.204 56.027 4.177 18953 13339 1 14 . 1 1 153 153 ARG CB C 153 30.340 30.340 33.185 -2.845 18953 13340 1 14 . 1 1 153 153 ARG H H 153 8.882 8.882 9.496 -0.614 18953 13341 1 14 . 1 1 154 154 SER N N 154 111.500 111.500 110.610 0.890 18953 13342 1 14 . 1 1 154 154 SER HA H 154 5.194 5.194 4.515 0.679 18953 13343 1 14 . 1 1 154 154 SER C C 154 176.379 176.379 173.486 2.893 18953 13344 1 14 . 1 1 154 154 SER CA C 154 56.894 56.894 55.869 1.025 18953 13345 1 14 . 1 1 154 154 SER CB C 154 66.352 66.352 64.739 1.613 18953 13346 1 14 . 1 1 154 154 SER H H 154 8.070 8.070 7.612 0.458 18953 13347 1 14 . 1 1 155 155 TYR N N 155 119.386 119.386 118.745 0.641 18953 13348 1 14 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.292 -2.129 18953 13349 1 14 . 1 1 155 155 TYR C C 155 174.639 174.639 176.379 -1.740 18953 13350 1 14 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.422 -2.053 18953 13351 1 14 . 1 1 155 155 TYR CB C 155 38.399 38.399 36.990 1.409 18953 13352 1 14 . 1 1 155 155 TYR H H 155 7.638 7.638 7.176 0.462 18953 13353 1 14 . 1 1 156 156 ASN N N 156 119.038 119.038 116.421 2.617 18953 13354 1 14 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.557 -0.437 18953 13355 1 14 . 1 1 156 156 ASN C C 156 172.889 172.889 175.319 -2.430 18953 13356 1 14 . 1 1 156 156 ASN CA C 156 55.596 55.596 54.362 1.234 18953 13357 1 14 . 1 1 156 156 ASN CB C 156 38.621 38.621 38.509 0.112 18953 13358 1 14 . 1 1 156 156 ASN H H 156 6.819 6.819 7.379 -0.560 18953 13359 1 14 . 1 1 157 157 ASP N N 157 118.338 118.338 120.763 -2.425 18953 13360 1 14 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.538 0.043 18953 13361 1 14 . 1 1 157 157 ASP C C 157 173.908 173.908 176.937 -3.029 18953 13362 1 14 . 1 1 157 157 ASP CA C 157 57.382 57.382 56.386 0.996 18953 13363 1 14 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.445 0.182 18953 13364 1 14 . 1 1 157 157 ASP H H 157 7.791 7.791 7.668 0.123 18953 13365 1 14 . 1 1 158 158 TRP N N 158 114.610 114.610 118.735 -4.125 18953 13366 1 14 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.953 0.381 18953 13367 1 14 . 1 1 158 158 TRP C C 158 175.711 175.711 176.507 -0.796 18953 13368 1 14 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.363 0.706 18953 13369 1 14 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.892 -0.773 18953 13370 1 14 . 1 1 158 158 TRP H H 158 7.000 7.000 6.561 0.439 18953 13371 1 14 . 1 1 159 159 GLY N N 159 108.647 108.647 108.398 0.249 18953 13372 1 14 . 1 1 159 159 GLY C C 159 175.991 175.991 174.430 1.561 18953 13373 1 14 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.394 0.338 18953 13374 1 14 . 1 1 159 159 GLY H H 159 7.588 7.588 7.912 -0.324 18953 13375 1 14 . 1 1 160 160 GLY N N 160 107.348 107.348 106.443 0.905 18953 13376 1 14 . 1 1 160 160 GLY C C 160 178.604 178.604 172.856 5.748 18953 13377 1 14 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.564 1.792 18953 13378 1 14 . 1 1 160 160 GLY H H 160 7.326 7.326 7.920 -0.594 18953 13379 1 14 . 1 1 161 161 VAL N N 161 118.047 118.047 112.841 5.206 18953 13380 1 14 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.383 -0.131 18953 13381 1 14 . 1 1 161 161 VAL C C 161 175.118 175.118 174.590 0.528 18953 13382 1 14 . 1 1 161 161 VAL CA C 161 63.303 63.303 62.214 1.089 18953 13383 1 14 . 1 1 161 161 VAL CB C 161 32.835 32.835 31.867 0.968 18953 13384 1 14 . 1 1 161 161 VAL H H 161 8.697 8.697 8.368 0.329 18953 13385 1 14 . 1 1 162 162 THR N N 162 111.630 111.630 109.664 1.966 18953 13386 1 14 . 1 1 162 162 THR HA H 162 3.659 3.659 4.437 -0.778 18953 13387 1 14 . 1 1 162 162 THR C C 162 179.191 179.191 173.855 5.336 18953 13388 1 14 . 1 1 162 162 THR CA C 162 59.431 59.431 61.312 -1.881 18953 13389 1 14 . 1 1 162 162 THR CB C 162 71.935 71.935 70.880 1.055 18953 13390 1 14 . 1 1 162 162 THR H H 162 7.864 7.864 7.687 0.177 18953 13391 1 14 . 1 1 163 163 SER N N 163 112.275 112.275 114.578 -2.303 18953 13392 1 14 . 1 1 163 163 SER HA H 163 4.018 4.018 4.651 -0.633 18953 13393 1 14 . 1 1 163 163 SER C C 163 178.307 178.307 174.576 3.731 18953 13394 1 14 . 1 1 163 163 SER CA C 163 57.968 57.968 58.505 -0.537 18953 13395 1 14 . 1 1 163 163 SER CB C 163 63.093 63.093 64.571 -1.478 18953 13396 1 14 . 1 1 163 163 SER H H 163 7.502 7.502 8.597 -1.095 18953 13397 1 14 . 1 1 164 164 ARG N N 164 122.770 122.770 123.523 -0.753 18953 13398 1 14 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.754 -0.329 18953 13399 1 14 . 1 1 164 164 ARG C C 164 175.003 175.003 174.986 0.017 18953 13400 1 14 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.075 1.062 18953 13401 1 14 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.528 1.925 18953 13402 1 14 . 1 1 164 164 ARG H H 164 7.578 7.578 8.322 -0.744 18953 13403 1 14 . 1 1 165 165 MET N N 165 122.454 122.454 121.154 1.300 18953 13404 1 14 . 1 1 165 165 MET HA H 165 4.620 4.620 4.949 -0.329 18953 13405 1 14 . 1 1 165 165 MET C C 165 177.244 177.244 176.047 1.197 18953 13406 1 14 . 1 1 165 165 MET CA C 165 56.192 56.192 55.382 0.810 18953 13407 1 14 . 1 1 165 165 MET CB C 165 37.269 37.269 33.776 3.493 18953 13408 1 14 . 1 1 165 165 MET H H 165 8.480 8.480 8.656 -0.176 18953 13409 1 14 . 1 1 166 166 GLY N N 166 107.987 107.987 110.864 -2.877 18953 13410 1 14 . 1 1 166 166 GLY C C 166 177.648 177.648 173.853 3.795 18953 13411 1 14 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.866 0.826 18953 13412 1 14 . 1 1 166 166 GLY H H 166 9.046 9.046 8.795 0.251 18953 13413 1 14 . 1 1 167 167 SER N N 167 113.024 113.024 116.306 -3.282 18953 13414 1 14 . 1 1 167 167 SER HA H 167 4.562 4.562 5.834 -1.272 18953 13415 1 14 . 1 1 167 167 SER C C 167 179.104 179.104 172.675 6.429 18953 13416 1 14 . 1 1 167 167 SER CA C 167 58.729 58.729 57.339 1.390 18953 13417 1 14 . 1 1 167 167 SER CB C 167 64.816 64.816 66.596 -1.780 18953 13418 1 14 . 1 1 167 167 SER H H 167 8.257 8.257 7.935 0.322 18953 13419 1 14 . 1 1 168 168 ILE N N 168 118.927 118.927 120.933 -2.006 18953 13420 1 14 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.072 0.436 18953 13421 1 14 . 1 1 168 168 ILE C C 168 177.783 177.783 173.971 3.812 18953 13422 1 14 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.748 0.413 18953 13423 1 14 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.211 0.999 18953 13424 1 14 . 1 1 168 168 ILE H H 168 8.922 8.922 9.341 -0.419 18953 13425 1 14 . 1 1 169 169 ARG N N 169 124.820 124.820 123.836 0.984 18953 13426 1 14 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.610 0.435 18953 13427 1 14 . 1 1 169 169 ARG C C 169 177.350 177.350 174.165 3.185 18953 13428 1 14 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.376 -0.191 18953 13429 1 14 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.299 0.692 18953 13430 1 14 . 1 1 169 169 ARG H H 169 9.757 9.757 9.092 0.665 18953 13431 1 14 . 1 1 170 170 ARG N N 170 122.951 122.951 126.082 -3.131 18953 13432 1 14 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.993 -0.728 18953 13433 1 14 . 1 1 170 170 ARG C C 170 174.373 174.373 175.764 -1.391 18953 13434 1 14 . 1 1 170 170 ARG CA C 170 55.170 55.170 54.218 0.952 18953 13435 1 14 . 1 1 170 170 ARG CB C 170 30.150 30.150 29.908 0.242 18953 13436 1 14 . 1 1 170 170 ARG H H 170 8.552 8.552 8.055 0.497 18953 13437 1 14 . 1 1 171 171 ILE N N 171 123.280 123.280 125.167 -1.887 18953 13438 1 14 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.752 0.050 18953 13439 1 14 . 1 1 171 171 ILE C C 171 177.088 177.088 175.680 1.408 18953 13440 1 14 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.090 0.471 18953 13441 1 14 . 1 1 171 171 ILE CB C 171 36.326 36.326 35.007 1.319 18953 13442 1 14 . 1 1 171 171 ILE H H 171 8.424 8.424 8.630 -0.206 18953 13443 1 14 . 1 1 172 172 THR N N 172 117.270 117.270 114.999 2.271 18953 13444 1 14 . 1 1 172 172 THR HA H 172 4.558 4.558 4.345 0.213 18953 13445 1 14 . 1 1 172 172 THR C C 172 177.651 177.651 173.730 3.921 18953 13446 1 14 . 1 1 172 172 THR CA C 172 60.095 60.095 60.761 -0.666 18953 13447 1 14 . 1 1 172 172 THR CB C 172 70.040 70.040 68.625 1.415 18953 13448 1 14 . 1 1 172 172 THR H H 172 7.299 7.299 8.407 -1.108 18953 13449 1 14 . 1 1 173 173 ASP N N 173 121.598 121.598 123.220 -1.622 18953 13450 1 14 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.659 -0.214 18953 13451 1 14 . 1 1 173 173 ASP C C 173 177.041 177.041 175.426 1.615 18953 13452 1 14 . 1 1 173 173 ASP CA C 173 55.010 55.010 54.527 0.483 18953 13453 1 14 . 1 1 173 173 ASP CB C 173 41.524 41.524 41.934 -0.410 18953 13454 1 14 . 1 1 173 173 ASP H H 173 8.477 8.477 8.280 0.197 18953 13455 1 15 . 1 1 2 2 GLY C C 2 182.782 182.782 173.782 9.000 18953 13456 1 15 . 1 1 2 2 GLY CA C 2 43.547 43.547 44.929 -1.382 18953 13457 1 15 . 1 1 3 3 LYS N N 3 120.153 120.153 119.325 0.828 18953 13458 1 15 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.517 0.498 18953 13459 1 15 . 1 1 3 3 LYS C C 3 179.140 179.140 174.028 5.112 18953 13460 1 15 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.566 1.744 18953 13461 1 15 . 1 1 3 3 LYS CB C 3 35.698 35.698 36.951 -1.253 18953 13462 1 15 . 1 1 3 3 LYS H H 3 8.398 8.398 7.876 0.522 18953 13463 1 15 . 1 1 4 4 ILE N N 4 129.769 129.769 122.736 7.033 18953 13464 1 15 . 1 1 4 4 ILE HA H 4 4.606 4.606 5.061 -0.455 18953 13465 1 15 . 1 1 4 4 ILE C C 4 180.618 180.618 173.226 7.392 18953 13466 1 15 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.779 -0.379 18953 13467 1 15 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.658 -0.639 18953 13468 1 15 . 1 1 4 4 ILE H H 4 8.871 8.871 8.438 0.433 18953 13469 1 15 . 1 1 5 5 ILE N N 5 125.103 125.103 127.792 -2.689 18953 13470 1 15 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.924 -0.416 18953 13471 1 15 . 1 1 5 5 ILE C C 5 177.516 177.516 174.857 2.659 18953 13472 1 15 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.484 1.345 18953 13473 1 15 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.396 0.021 18953 13474 1 15 . 1 1 5 5 ILE H H 5 8.788 8.788 8.935 -0.147 18953 13475 1 15 . 1 1 6 6 PHE N N 6 125.558 125.558 125.471 0.087 18953 13476 1 15 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.763 -0.140 18953 13477 1 15 . 1 1 6 6 PHE C C 6 176.512 176.512 174.645 1.867 18953 13478 1 15 . 1 1 6 6 PHE CA C 6 57.219 57.219 56.863 0.356 18953 13479 1 15 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.319 0.164 18953 13480 1 15 . 1 1 6 6 PHE H H 6 8.540 8.540 9.111 -0.571 18953 13481 1 15 . 1 1 7 7 TYR N N 7 120.647 120.647 118.874 1.773 18953 13482 1 15 . 1 1 7 7 TYR HA H 7 5.171 5.171 5.006 0.165 18953 13483 1 15 . 1 1 7 7 TYR C C 7 173.898 173.898 175.400 -1.502 18953 13484 1 15 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.420 0.026 18953 13485 1 15 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.106 -2.796 18953 13486 1 15 . 1 1 7 7 TYR H H 7 8.889 8.889 9.214 -0.325 18953 13487 1 15 . 1 1 8 8 GLU N N 8 122.007 122.007 123.356 -1.349 18953 13488 1 15 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.207 -0.026 18953 13489 1 15 . 1 1 8 8 GLU C C 8 174.881 174.881 176.782 -1.901 18953 13490 1 15 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.340 1.726 18953 13491 1 15 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.632 1.420 18953 13492 1 15 . 1 1 8 8 GLU H H 8 8.756 8.756 8.604 0.152 18953 13493 1 15 . 1 1 9 9 ASP N N 9 114.203 114.203 118.444 -4.241 18953 13494 1 15 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.693 0.529 18953 13495 1 15 . 1 1 9 9 ASP CA C 9 52.366 52.366 53.562 -1.196 18953 13496 1 15 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.443 0.993 18953 13497 1 15 . 1 1 9 9 ASP H H 9 7.977 7.977 8.123 -0.146 18953 13498 1 15 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.739 -1.620 18953 13499 1 15 . 1 1 11 11 ASN CA C 11 56.660 56.660 53.534 3.126 18953 13500 1 15 . 1 1 11 11 ASN CB C 11 35.050 35.050 37.497 -2.447 18953 13501 1 15 . 1 1 13 13 GLY C C 13 178.281 178.281 173.383 4.898 18953 13502 1 15 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.599 -0.153 18953 13503 1 15 . 1 1 14 14 GLY N N 14 105.348 105.348 107.604 -2.256 18953 13504 1 15 . 1 1 14 14 GLY C C 14 176.463 176.463 174.181 2.282 18953 13505 1 15 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.066 0.045 18953 13506 1 15 . 1 1 14 14 GLY H H 14 8.261 8.261 8.251 0.010 18953 13507 1 15 . 1 1 15 15 ARG N N 15 119.637 119.637 124.585 -4.948 18953 13508 1 15 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.407 -0.196 18953 13509 1 15 . 1 1 15 15 ARG C C 15 176.574 176.574 176.390 0.184 18953 13510 1 15 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.527 0.805 18953 13511 1 15 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.499 0.913 18953 13512 1 15 . 1 1 15 15 ARG H H 15 8.579 8.579 8.324 0.255 18953 13513 1 15 . 1 1 16 16 TYR N N 16 114.846 114.846 122.170 -7.324 18953 13514 1 15 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.321 0.537 18953 13515 1 15 . 1 1 16 16 TYR C C 16 176.510 176.510 174.875 1.635 18953 13516 1 15 . 1 1 16 16 TYR CA C 16 54.613 54.613 55.061 -0.448 18953 13517 1 15 . 1 1 16 16 TYR CB C 16 42.418 42.418 41.023 1.395 18953 13518 1 15 . 1 1 16 16 TYR H H 16 7.617 7.617 8.252 -0.635 18953 13519 1 15 . 1 1 17 17 HIS N N 17 118.443 118.443 120.850 -2.407 18953 13520 1 15 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.770 0.040 18953 13521 1 15 . 1 1 17 17 HIS C C 17 177.970 177.970 173.444 4.526 18953 13522 1 15 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.523 0.039 18953 13523 1 15 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.332 0.272 18953 13524 1 15 . 1 1 17 17 HIS H H 17 8.785 8.785 8.613 0.172 18953 13525 1 15 . 1 1 18 18 GLU N N 18 126.223 126.223 127.930 -1.707 18953 13526 1 15 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.432 0.406 18953 13527 1 15 . 1 1 18 18 GLU C C 18 176.504 176.504 174.967 1.537 18953 13528 1 15 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.666 -0.567 18953 13529 1 15 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.392 1.730 18953 13530 1 15 . 1 1 18 18 GLU H H 18 8.529 8.529 8.390 0.139 18953 13531 1 15 . 1 1 19 19 CYS N N 19 121.383 121.383 123.536 -2.153 18953 13532 1 15 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.650 0.007 18953 13533 1 15 . 1 1 19 19 CYS C C 19 178.018 178.018 174.375 3.643 18953 13534 1 15 . 1 1 19 19 CYS CA C 19 58.777 58.777 57.270 1.507 18953 13535 1 15 . 1 1 19 19 CYS CB C 19 29.812 29.812 30.526 -0.714 18953 13536 1 15 . 1 1 19 19 CYS H H 19 9.163 9.163 9.025 0.138 18953 13537 1 15 . 1 1 20 20 MET N N 20 126.877 126.877 119.136 7.741 18953 13538 1 15 . 1 1 20 20 MET HA H 20 5.295 5.295 4.709 0.586 18953 13539 1 15 . 1 1 20 20 MET C C 20 176.776 176.776 174.951 1.825 18953 13540 1 15 . 1 1 20 20 MET CA C 20 55.260 55.260 55.242 0.018 18953 13541 1 15 . 1 1 20 20 MET CB C 20 33.370 33.370 33.591 -0.221 18953 13542 1 15 . 1 1 20 20 MET H H 20 8.995 8.995 8.543 0.452 18953 13543 1 15 . 1 1 21 21 SER N N 21 179.042 179.042 115.761 63.281 18953 13544 1 15 . 1 1 21 21 SER HA H 21 4.658 4.658 4.850 -0.192 18953 13545 1 15 . 1 1 21 21 SER C C 21 179.042 179.042 173.696 5.346 18953 13546 1 15 . 1 1 21 21 SER CA C 21 57.586 57.586 56.410 1.176 18953 13547 1 15 . 1 1 21 21 SER CB C 21 65.782 65.782 65.398 0.383 18953 13548 1 15 . 1 1 21 21 SER H H 21 7.990 7.990 7.617 0.373 18953 13549 1 15 . 1 1 22 22 ASP N N 22 117.203 117.203 122.198 -4.995 18953 13550 1 15 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.612 0.339 18953 13551 1 15 . 1 1 22 22 ASP C C 22 173.564 173.564 176.177 -2.613 18953 13552 1 15 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.829 0.642 18953 13553 1 15 . 1 1 22 22 ASP CB C 22 41.819 41.819 41.045 0.774 18953 13554 1 15 . 1 1 22 22 ASP H H 22 8.317 8.317 8.503 -0.186 18953 13555 1 15 . 1 1 23 23 CYS N N 23 121.308 121.308 121.076 0.232 18953 13556 1 15 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.770 0.021 18953 13557 1 15 . 1 1 23 23 CYS C C 23 177.265 177.265 174.770 2.495 18953 13558 1 15 . 1 1 23 23 CYS CA C 23 59.963 59.963 58.291 1.672 18953 13559 1 15 . 1 1 23 23 CYS CB C 23 29.412 29.412 29.779 -0.367 18953 13560 1 15 . 1 1 23 23 CYS H H 23 9.410 9.410 9.024 0.386 18953 13561 1 15 . 1 1 24 24 ALA N N 24 131.693 131.693 130.472 1.221 18953 13562 1 15 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.714 -0.192 18953 13563 1 15 . 1 1 24 24 ALA C C 24 175.455 175.455 176.018 -0.563 18953 13564 1 15 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.605 2.009 18953 13565 1 15 . 1 1 24 24 ALA CB C 24 19.175 19.175 19.012 0.163 18953 13566 1 15 . 1 1 24 24 ALA H H 24 9.210 9.210 8.637 0.573 18953 13567 1 15 . 1 1 25 25 ASP N N 25 113.873 113.873 116.737 -2.864 18953 13568 1 15 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.790 0.105 18953 13569 1 15 . 1 1 25 25 ASP C C 25 174.970 174.970 175.043 -0.073 18953 13570 1 15 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.024 0.896 18953 13571 1 15 . 1 1 25 25 ASP CB C 25 40.564 40.564 41.010 -0.446 18953 13572 1 15 . 1 1 25 25 ASP H H 25 7.524 7.524 7.412 0.112 18953 13573 1 15 . 1 1 26 26 LEU N N 26 127.166 127.166 122.144 5.022 18953 13574 1 15 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.345 -0.346 18953 13575 1 15 . 1 1 26 26 LEU C C 26 173.727 173.727 177.100 -3.373 18953 13576 1 15 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.745 1.407 18953 13577 1 15 . 1 1 26 26 LEU CB C 26 42.359 42.359 43.029 -0.670 18953 13578 1 15 . 1 1 26 26 LEU H H 26 8.495 8.495 8.837 -0.342 18953 13579 1 15 . 1 1 27 27 HIS N N 27 118.732 118.732 119.480 -0.748 18953 13580 1 15 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.264 0.273 18953 13581 1 15 . 1 1 27 27 HIS C C 27 175.667 175.667 176.017 -0.350 18953 13582 1 15 . 1 1 27 27 HIS CA C 27 57.793 57.793 58.919 -1.126 18953 13583 1 15 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.125 -1.087 18953 13584 1 15 . 1 1 27 27 HIS H H 27 8.446 8.446 7.771 0.675 18953 13585 1 15 . 1 1 28 28 SER N N 28 112.598 112.598 113.997 -1.399 18953 13586 1 15 . 1 1 28 28 SER HA H 28 3.792 3.792 4.147 -0.355 18953 13587 1 15 . 1 1 28 28 SER C C 28 177.551 177.551 175.919 1.632 18953 13588 1 15 . 1 1 28 28 SER CA C 28 60.406 60.406 60.919 -0.513 18953 13589 1 15 . 1 1 28 28 SER CB C 28 62.814 62.814 62.979 -0.165 18953 13590 1 15 . 1 1 28 28 SER H H 28 7.237 7.237 8.203 -0.966 18953 13591 1 15 . 1 1 29 29 TYR N N 29 118.301 118.301 117.471 0.830 18953 13592 1 15 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.019 0.283 18953 13593 1 15 . 1 1 29 29 TYR C C 29 176.283 176.283 175.860 0.423 18953 13594 1 15 . 1 1 29 29 TYR CA C 29 58.668 58.668 59.916 -1.248 18953 13595 1 15 . 1 1 29 29 TYR CB C 29 39.471 39.471 38.296 1.175 18953 13596 1 15 . 1 1 29 29 TYR H H 29 7.224 7.224 6.829 0.395 18953 13597 1 15 . 1 1 30 30 PHE N N 30 112.713 112.713 111.785 0.928 18953 13598 1 15 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.661 0.021 18953 13599 1 15 . 1 1 30 30 PHE C C 30 177.785 177.785 174.525 3.260 18953 13600 1 15 . 1 1 30 30 PHE CA C 30 55.924 55.924 55.789 0.135 18953 13601 1 15 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.403 -0.659 18953 13602 1 15 . 1 1 30 30 PHE H H 30 7.173 7.173 6.995 0.177 18953 13603 1 15 . 1 1 31 31 ASN N N 31 115.959 115.959 119.389 -3.430 18953 13604 1 15 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.078 0.632 18953 13605 1 15 . 1 1 31 31 ASN C C 31 176.537 176.537 174.463 2.074 18953 13606 1 15 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.051 0.500 18953 13607 1 15 . 1 1 31 31 ASN CB C 31 40.056 40.056 38.784 1.272 18953 13608 1 15 . 1 1 31 31 ASN H H 31 8.918 8.918 8.622 0.296 18953 13609 1 15 . 1 1 32 32 ARG N N 32 117.693 117.693 117.671 0.022 18953 13610 1 15 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.511 0.116 18953 13611 1 15 . 1 1 32 32 ARG C C 32 178.177 178.177 173.607 4.570 18953 13612 1 15 . 1 1 32 32 ARG CA C 32 55.156 55.156 56.027 -0.871 18953 13613 1 15 . 1 1 32 32 ARG CB C 32 33.091 33.091 32.707 0.384 18953 13614 1 15 . 1 1 32 32 ARG H H 32 7.893 7.893 7.748 0.145 18953 13615 1 15 . 1 1 33 33 CYS N N 33 119.494 119.494 121.486 -1.992 18953 13616 1 15 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.618 0.334 18953 13617 1 15 . 1 1 33 33 CYS C C 33 176.223 176.223 173.015 3.208 18953 13618 1 15 . 1 1 33 33 CYS CA C 33 58.307 58.307 57.849 0.458 18953 13619 1 15 . 1 1 33 33 CYS CB C 33 28.751 28.751 30.472 -1.721 18953 13620 1 15 . 1 1 33 33 CYS H H 33 8.161 8.161 8.577 -0.416 18953 13621 1 15 . 1 1 34 34 HIS N N 34 126.786 126.786 122.965 3.821 18953 13622 1 15 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.567 0.455 18953 13623 1 15 . 1 1 34 34 HIS C C 34 176.224 176.224 174.228 1.996 18953 13624 1 15 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.685 0.013 18953 13625 1 15 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.924 1.385 18953 13626 1 15 . 1 1 34 34 HIS H H 34 8.325 8.325 8.458 -0.133 18953 13627 1 15 . 1 1 35 35 SER N N 35 113.132 113.132 114.649 -1.517 18953 13628 1 15 . 1 1 35 35 SER HA H 35 5.264 5.264 5.108 0.156 18953 13629 1 15 . 1 1 35 35 SER C C 35 179.093 179.093 172.605 6.488 18953 13630 1 15 . 1 1 35 35 SER CA C 35 59.951 59.951 57.778 2.173 18953 13631 1 15 . 1 1 35 35 SER CB C 35 65.754 65.754 65.716 0.038 18953 13632 1 15 . 1 1 35 35 SER H H 35 8.489 8.489 8.063 0.426 18953 13633 1 15 . 1 1 36 36 ILE N N 36 119.607 119.607 122.378 -2.771 18953 13634 1 15 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.435 0.934 18953 13635 1 15 . 1 1 36 36 ILE C C 36 176.313 176.313 173.835 2.478 18953 13636 1 15 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.211 0.283 18953 13637 1 15 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.594 3.176 18953 13638 1 15 . 1 1 36 36 ILE H H 36 8.579 8.579 8.821 -0.242 18953 13639 1 15 . 1 1 37 37 ARG N N 37 126.328 126.328 125.001 1.327 18953 13640 1 15 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.913 0.046 18953 13641 1 15 . 1 1 37 37 ARG C C 37 176.785 176.785 174.117 2.668 18953 13642 1 15 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.262 0.852 18953 13643 1 15 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.937 0.397 18953 13644 1 15 . 1 1 37 37 ARG H H 37 9.342 9.342 8.867 0.475 18953 13645 1 15 . 1 1 38 38 VAL N N 38 125.466 125.466 127.204 -1.738 18953 13646 1 15 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.513 -0.190 18953 13647 1 15 . 1 1 38 38 VAL C C 38 175.196 175.196 175.255 -0.059 18953 13648 1 15 . 1 1 38 38 VAL CA C 38 62.436 62.436 62.085 0.351 18953 13649 1 15 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.557 -0.883 18953 13650 1 15 . 1 1 38 38 VAL H H 38 9.122 9.122 9.033 0.089 18953 13651 1 15 . 1 1 39 39 GLU N N 39 128.582 128.582 129.042 -0.460 18953 13652 1 15 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.369 -0.285 18953 13653 1 15 . 1 1 39 39 GLU C C 39 175.200 175.200 175.976 -0.776 18953 13654 1 15 . 1 1 39 39 GLU CA C 39 58.498 58.498 56.577 1.921 18953 13655 1 15 . 1 1 39 39 GLU CB C 39 31.830 31.830 31.045 0.785 18953 13656 1 15 . 1 1 39 39 GLU H H 39 8.258 8.258 8.634 -0.376 18953 13657 1 15 . 1 1 40 40 SER N N 40 108.412 108.412 110.783 -2.371 18953 13658 1 15 . 1 1 40 40 SER HA H 40 4.343 4.343 4.524 -0.181 18953 13659 1 15 . 1 1 40 40 SER C C 40 178.000 178.000 173.060 4.940 18953 13660 1 15 . 1 1 40 40 SER CA C 40 57.623 57.623 58.411 -0.788 18953 13661 1 15 . 1 1 40 40 SER CB C 40 64.539 64.539 64.237 0.302 18953 13662 1 15 . 1 1 40 40 SER H H 40 7.753 7.753 7.530 0.223 18953 13663 1 15 . 1 1 41 41 GLY N N 41 109.451 109.451 115.017 -5.566 18953 13664 1 15 . 1 1 41 41 GLY C C 41 179.855 179.855 172.698 7.157 18953 13665 1 15 . 1 1 41 41 GLY CA C 41 44.884 44.884 45.072 -0.188 18953 13666 1 15 . 1 1 41 41 GLY H H 41 8.714 8.714 8.531 0.183 18953 13667 1 15 . 1 1 42 42 CYS N N 42 112.295 112.295 119.844 -7.549 18953 13668 1 15 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.482 -0.548 18953 13669 1 15 . 1 1 42 42 CYS C C 42 178.663 178.663 173.120 5.543 18953 13670 1 15 . 1 1 42 42 CYS CA C 42 56.877 56.877 58.178 -1.301 18953 13671 1 15 . 1 1 42 42 CYS CB C 42 31.679 31.679 32.185 -0.506 18953 13672 1 15 . 1 1 42 42 CYS H H 42 7.794 7.794 8.413 -0.619 18953 13673 1 15 . 1 1 43 43 PHE N N 43 118.841 118.841 122.003 -3.162 18953 13674 1 15 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.859 0.265 18953 13675 1 15 . 1 1 43 43 PHE C C 43 178.045 178.045 173.158 4.887 18953 13676 1 15 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.194 -0.704 18953 13677 1 15 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.953 1.004 18953 13678 1 15 . 1 1 43 43 PHE H H 43 8.509 8.509 9.024 -0.515 18953 13679 1 15 . 1 1 44 44 MET N N 44 119.494 119.494 127.310 -7.816 18953 13680 1 15 . 1 1 44 44 MET HA H 44 5.442 5.442 5.004 0.438 18953 13681 1 15 . 1 1 44 44 MET C C 44 174.336 174.336 174.153 0.183 18953 13682 1 15 . 1 1 44 44 MET CA C 44 52.992 52.992 53.240 -0.248 18953 13683 1 15 . 1 1 44 44 MET CB C 44 33.835 33.835 34.339 -0.504 18953 13684 1 15 . 1 1 44 44 MET H H 44 9.110 9.110 8.405 0.705 18953 13685 1 15 . 1 1 45 45 VAL N N 45 117.666 117.666 124.348 -6.682 18953 13686 1 15 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.968 0.419 18953 13687 1 15 . 1 1 45 45 VAL C C 45 177.844 177.844 173.826 4.018 18953 13688 1 15 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.666 -0.033 18953 13689 1 15 . 1 1 45 45 VAL CB C 45 34.280 34.280 33.646 0.634 18953 13690 1 15 . 1 1 45 45 VAL H H 45 9.345 9.345 8.894 0.451 18953 13691 1 15 . 1 1 46 46 TYR N N 46 117.876 117.876 124.530 -6.654 18953 13692 1 15 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.250 0.755 18953 13693 1 15 . 1 1 46 46 TYR C C 46 173.152 173.152 175.622 -2.470 18953 13694 1 15 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.303 -0.620 18953 13695 1 15 . 1 1 46 46 TYR CB C 46 41.025 41.025 41.996 -0.971 18953 13696 1 15 . 1 1 46 46 TYR H H 46 8.145 8.145 9.471 -1.326 18953 13697 1 15 . 1 1 47 47 ASP N N 47 119.783 119.783 122.658 -2.875 18953 13698 1 15 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.687 0.198 18953 13699 1 15 . 1 1 47 47 ASP C C 47 176.040 176.040 176.135 -0.095 18953 13700 1 15 . 1 1 47 47 ASP CA C 47 53.826 53.826 55.124 -1.298 18953 13701 1 15 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.762 -0.695 18953 13702 1 15 . 1 1 47 47 ASP H H 47 8.690 8.690 8.706 -0.016 18953 13703 1 15 . 1 1 48 48 ARG N N 48 116.008 116.008 118.229 -2.221 18953 13704 1 15 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.627 0.111 18953 13705 1 15 . 1 1 48 48 ARG C C 48 175.495 175.495 175.521 -0.026 18953 13706 1 15 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.375 -0.030 18953 13707 1 15 . 1 1 48 48 ARG CB C 48 34.662 34.662 33.204 1.458 18953 13708 1 15 . 1 1 48 48 ARG H H 48 7.627 7.627 8.166 -0.539 18953 13709 1 15 . 1 1 49 49 THR N N 49 110.526 110.526 114.620 -4.094 18953 13710 1 15 . 1 1 49 49 THR HA H 49 3.790 3.790 4.168 -0.378 18953 13711 1 15 . 1 1 49 49 THR C C 49 176.951 176.951 174.405 2.546 18953 13712 1 15 . 1 1 49 49 THR CA C 49 62.112 62.112 63.030 -0.918 18953 13713 1 15 . 1 1 49 49 THR CB C 49 70.189 70.189 69.167 1.022 18953 13714 1 15 . 1 1 49 49 THR H H 49 8.173 8.173 8.448 -0.275 18953 13715 1 15 . 1 1 50 50 ASN N N 50 112.515 112.515 118.938 -6.423 18953 13716 1 15 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.475 -0.226 18953 13717 1 15 . 1 1 50 50 ASN C C 50 178.172 178.172 173.754 4.418 18953 13718 1 15 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.661 0.716 18953 13719 1 15 . 1 1 50 50 ASN CB C 50 36.907 36.907 36.416 0.491 18953 13720 1 15 . 1 1 50 50 ASN H H 50 9.654 9.654 8.750 0.904 18953 13721 1 15 . 1 1 51 51 PHE N N 51 110.557 110.557 109.472 1.085 18953 13722 1 15 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.705 -0.055 18953 13723 1 15 . 1 1 51 51 PHE C C 51 176.292 176.292 173.681 2.611 18953 13724 1 15 . 1 1 51 51 PHE CA C 51 55.668 55.668 58.308 -2.640 18953 13725 1 15 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.124 0.808 18953 13726 1 15 . 1 1 51 51 PHE H H 51 7.568 7.568 7.598 -0.030 18953 13727 1 15 . 1 1 52 52 MET N N 52 117.547 117.547 117.311 0.236 18953 13728 1 15 . 1 1 52 52 MET HA H 52 4.859 4.859 4.964 -0.105 18953 13729 1 15 . 1 1 52 52 MET C C 52 177.399 177.399 174.810 2.589 18953 13730 1 15 . 1 1 52 52 MET CA C 52 53.946 53.946 54.693 -0.747 18953 13731 1 15 . 1 1 52 52 MET CB C 52 35.335 35.335 37.287 -1.952 18953 13732 1 15 . 1 1 52 52 MET H H 52 6.355 6.355 7.498 -1.143 18953 13733 1 15 . 1 1 53 53 GLY N N 53 103.445 103.445 106.826 -3.381 18953 13734 1 15 . 1 1 53 53 GLY C C 53 175.327 175.327 174.273 1.054 18953 13735 1 15 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.617 -0.034 18953 13736 1 15 . 1 1 53 53 GLY H H 53 8.256 8.256 8.695 -0.439 18953 13737 1 15 . 1 1 54 54 ARG N N 54 124.195 124.195 122.849 1.346 18953 13738 1 15 . 1 1 54 54 ARG HA H 54 4.162 4.162 3.938 0.224 18953 13739 1 15 . 1 1 54 54 ARG C C 54 177.235 177.235 175.691 1.544 18953 13740 1 15 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.097 0.103 18953 13741 1 15 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.070 1.145 18953 13742 1 15 . 1 1 54 54 ARG H H 54 9.034 9.034 8.571 0.463 18953 13743 1 15 . 1 1 55 55 GLN N N 55 118.867 118.867 122.531 -3.664 18953 13744 1 15 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.623 0.396 18953 13745 1 15 . 1 1 55 55 GLN C C 55 176.166 176.166 174.418 1.748 18953 13746 1 15 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.318 -1.204 18953 13747 1 15 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.525 0.946 18953 13748 1 15 . 1 1 55 55 GLN H H 55 7.657 7.657 8.210 -0.553 18953 13749 1 15 . 1 1 56 56 TYR N N 56 117.323 117.323 120.635 -3.312 18953 13750 1 15 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.696 -0.246 18953 13751 1 15 . 1 1 56 56 TYR C C 56 177.276 177.276 174.203 3.073 18953 13752 1 15 . 1 1 56 56 TYR CA C 56 57.213 57.213 57.034 0.179 18953 13753 1 15 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.281 -0.720 18953 13754 1 15 . 1 1 56 56 TYR H H 56 8.704 8.704 8.783 -0.079 18953 13755 1 15 . 1 1 57 57 PHE N N 57 125.557 125.557 120.972 4.585 18953 13756 1 15 . 1 1 57 57 PHE HA H 57 5.217 5.217 5.195 0.022 18953 13757 1 15 . 1 1 57 57 PHE C C 57 176.412 176.412 174.429 1.983 18953 13758 1 15 . 1 1 57 57 PHE CA C 57 58.371 58.371 56.004 2.367 18953 13759 1 15 . 1 1 57 57 PHE CB C 57 40.989 40.989 39.788 1.201 18953 13760 1 15 . 1 1 57 57 PHE H H 57 8.600 8.600 8.721 -0.121 18953 13761 1 15 . 1 1 58 58 LEU N N 58 129.141 129.141 126.084 3.057 18953 13762 1 15 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.568 -0.213 18953 13763 1 15 . 1 1 58 58 LEU C C 58 177.356 177.356 176.395 0.961 18953 13764 1 15 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.578 0.272 18953 13765 1 15 . 1 1 58 58 LEU CB C 58 44.886 44.886 43.255 1.631 18953 13766 1 15 . 1 1 58 58 LEU H H 58 8.969 8.969 8.825 0.144 18953 13767 1 15 . 1 1 59 59 ARG N N 59 118.569 118.569 123.128 -4.559 18953 13768 1 15 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.806 -0.243 18953 13769 1 15 . 1 1 59 59 ARG C C 59 175.341 175.341 175.778 -0.437 18953 13770 1 15 . 1 1 59 59 ARG CA C 59 53.734 53.734 54.290 -0.556 18953 13771 1 15 . 1 1 59 59 ARG CB C 59 32.396 32.396 32.254 0.142 18953 13772 1 15 . 1 1 59 59 ARG H H 59 7.107 7.107 8.351 -1.244 18953 13773 1 15 . 1 1 60 60 ARG N N 60 121.635 121.635 123.032 -1.397 18953 13774 1 15 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.955 0.010 18953 13775 1 15 . 1 1 60 60 ARG C C 60 175.525 175.525 175.502 0.023 18953 13776 1 15 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.756 0.198 18953 13777 1 15 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.602 1.288 18953 13778 1 15 . 1 1 60 60 ARG H H 60 8.258 8.258 8.118 0.140 18953 13779 1 15 . 1 1 61 61 GLY N N 61 112.955 112.955 114.113 -1.158 18953 13780 1 15 . 1 1 61 61 GLY C C 61 180.518 180.518 171.714 8.804 18953 13781 1 15 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.819 -0.141 18953 13782 1 15 . 1 1 61 61 GLY H H 61 8.706 8.706 8.083 0.623 18953 13783 1 15 . 1 1 62 62 GLU N N 62 117.563 117.563 120.164 -2.601 18953 13784 1 15 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.605 -0.056 18953 13785 1 15 . 1 1 62 62 GLU C C 62 176.249 176.249 175.348 0.901 18953 13786 1 15 . 1 1 62 62 GLU CA C 62 55.813 55.813 55.418 0.395 18953 13787 1 15 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.470 1.374 18953 13788 1 15 . 1 1 62 62 GLU H H 62 8.161 8.161 8.435 -0.274 18953 13789 1 15 . 1 1 63 63 TYR N N 63 119.057 119.057 126.479 -7.422 18953 13790 1 15 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.921 0.255 18953 13791 1 15 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.403 -1.130 18953 13792 1 15 . 1 1 63 63 TYR CB C 63 38.048 38.048 38.831 -0.783 18953 13793 1 15 . 1 1 63 63 TYR H H 63 8.827 8.827 8.805 0.022 18953 13794 1 15 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.155 -0.471 18953 13795 1 15 . 1 1 64 64 PRO CA C 64 64.970 64.970 64.411 0.559 18953 13796 1 15 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.268 -0.133 18953 13797 1 15 . 1 1 65 65 ASP N N 65 118.810 118.810 116.262 2.548 18953 13798 1 15 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.307 -0.260 18953 13799 1 15 . 1 1 65 65 ASP C C 65 174.175 174.175 174.652 -0.477 18953 13800 1 15 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.855 -0.280 18953 13801 1 15 . 1 1 65 65 ASP CB C 65 39.805 39.805 43.440 -3.635 18953 13802 1 15 . 1 1 65 65 ASP H H 65 8.600 8.600 7.911 0.689 18953 13803 1 15 . 1 1 66 66 TYR N N 66 119.662 119.662 118.903 0.759 18953 13804 1 15 . 1 1 66 66 TYR HA H 66 4.401 4.401 5.053 -0.652 18953 13805 1 15 . 1 1 66 66 TYR C C 66 175.431 175.431 174.022 1.409 18953 13806 1 15 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.156 3.817 18953 13807 1 15 . 1 1 66 66 TYR CB C 66 38.024 38.024 39.502 -1.478 18953 13808 1 15 . 1 1 66 66 TYR H H 66 6.530 6.530 7.976 -1.446 18953 13809 1 15 . 1 1 67 67 MET N N 67 121.502 121.502 118.554 2.948 18953 13810 1 15 . 1 1 67 67 MET HA H 67 3.626 3.626 4.337 -0.711 18953 13811 1 15 . 1 1 67 67 MET C C 67 172.742 172.742 177.369 -4.627 18953 13812 1 15 . 1 1 67 67 MET CA C 67 59.998 59.998 56.964 3.034 18953 13813 1 15 . 1 1 67 67 MET CB C 67 32.064 32.064 33.424 -1.360 18953 13814 1 15 . 1 1 67 67 MET H H 67 8.299 8.299 7.987 0.312 18953 13815 1 15 . 1 1 68 68 ARG N N 68 116.824 116.824 118.312 -1.488 18953 13816 1 15 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.292 -0.137 18953 13817 1 15 . 1 1 68 68 ARG C C 68 171.982 171.982 177.253 -5.271 18953 13818 1 15 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.492 0.108 18953 13819 1 15 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.463 0.593 18953 13820 1 15 . 1 1 68 68 ARG H H 68 6.919 6.919 8.084 -1.165 18953 13821 1 15 . 1 1 69 69 THR N N 69 111.292 111.292 108.565 2.727 18953 13822 1 15 . 1 1 69 69 THR HA H 69 4.101 4.101 4.197 -0.096 18953 13823 1 15 . 1 1 69 69 THR C C 69 174.584 174.584 174.759 -0.175 18953 13824 1 15 . 1 1 69 69 THR CA C 69 65.512 65.512 63.872 1.640 18953 13825 1 15 . 1 1 69 69 THR CB C 69 68.821 68.821 68.883 -0.062 18953 13826 1 15 . 1 1 69 69 THR H H 69 8.020 8.020 8.111 -0.091 18953 13827 1 15 . 1 1 70 70 MET N N 70 117.481 117.481 119.142 -1.661 18953 13828 1 15 . 1 1 70 70 MET HA H 70 4.496 4.496 4.537 -0.041 18953 13829 1 15 . 1 1 70 70 MET C C 70 175.015 175.015 176.455 -1.440 18953 13830 1 15 . 1 1 70 70 MET CA C 70 56.029 56.029 55.001 1.028 18953 13831 1 15 . 1 1 70 70 MET CB C 70 33.013 33.013 33.411 -0.398 18953 13832 1 15 . 1 1 70 70 MET H H 70 8.315 8.315 7.335 0.980 18953 13833 1 15 . 1 1 71 71 GLY N N 71 108.537 108.537 109.892 -1.355 18953 13834 1 15 . 1 1 71 71 GLY C C 71 176.534 176.534 173.782 2.752 18953 13835 1 15 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.301 1.908 18953 13836 1 15 . 1 1 71 71 GLY H H 71 7.352 7.352 7.836 -0.484 18953 13837 1 15 . 1 1 72 72 MET N N 72 118.363 118.363 118.540 -0.177 18953 13838 1 15 . 1 1 72 72 MET HA H 72 4.375 4.375 4.702 -0.327 18953 13839 1 15 . 1 1 72 72 MET C C 72 176.034 176.034 175.635 0.399 18953 13840 1 15 . 1 1 72 72 MET CA C 72 55.884 55.884 54.475 1.409 18953 13841 1 15 . 1 1 72 72 MET CB C 72 35.756 35.756 35.419 0.337 18953 13842 1 15 . 1 1 72 72 MET H H 72 7.888 7.888 7.477 0.411 18953 13843 1 15 . 1 1 73 73 ASN N N 73 119.052 119.052 123.677 -4.625 18953 13844 1 15 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.782 -0.061 18953 13845 1 15 . 1 1 73 73 ASN C C 73 177.307 177.307 174.176 3.131 18953 13846 1 15 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.819 1.046 18953 13847 1 15 . 1 1 73 73 ASN CB C 73 39.872 39.872 37.974 1.897 18953 13848 1 15 . 1 1 73 73 ASN H H 73 8.956 8.956 8.898 0.058 18953 13849 1 15 . 1 1 74 74 ASP N N 74 118.536 118.536 116.838 1.698 18953 13850 1 15 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.659 0.217 18953 13851 1 15 . 1 1 74 74 ASP C C 74 177.595 177.595 174.315 3.280 18953 13852 1 15 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.280 -0.734 18953 13853 1 15 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.301 2.742 18953 13854 1 15 . 1 1 74 74 ASP H H 74 7.831 7.831 7.703 0.128 18953 13855 1 15 . 1 1 75 75 CYS N N 75 116.378 116.378 116.867 -0.489 18953 13856 1 15 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.139 -0.478 18953 13857 1 15 . 1 1 75 75 CYS C C 75 177.301 177.301 175.600 1.701 18953 13858 1 15 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.784 1.288 18953 13859 1 15 . 1 1 75 75 CYS CB C 75 29.613 29.613 30.797 -1.184 18953 13860 1 15 . 1 1 75 75 CYS H H 75 8.527 8.527 8.483 0.044 18953 13861 1 15 . 1 1 76 76 VAL N N 76 116.516 116.516 119.015 -2.499 18953 13862 1 15 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.129 -0.219 18953 13863 1 15 . 1 1 76 76 VAL C C 76 175.906 175.906 175.819 0.087 18953 13864 1 15 . 1 1 76 76 VAL CA C 76 63.823 63.823 64.447 -0.624 18953 13865 1 15 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.452 0.253 18953 13866 1 15 . 1 1 76 76 VAL H H 76 7.296 7.296 8.378 -1.082 18953 13867 1 15 . 1 1 77 77 ARG N N 77 120.435 120.435 123.078 -2.643 18953 13868 1 15 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.481 -0.101 18953 13869 1 15 . 1 1 77 77 ARG C C 77 175.519 175.519 176.254 -0.735 18953 13870 1 15 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.386 -0.978 18953 13871 1 15 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.011 2.201 18953 13872 1 15 . 1 1 77 77 ARG H H 77 8.923 8.923 8.844 0.079 18953 13873 1 15 . 1 1 78 78 SER N N 78 110.315 110.315 113.281 -2.966 18953 13874 1 15 . 1 1 78 78 SER HA H 78 4.533 4.533 5.385 -0.852 18953 13875 1 15 . 1 1 78 78 SER C C 78 177.603 177.603 172.372 5.231 18953 13876 1 15 . 1 1 78 78 SER CA C 78 59.512 59.512 57.722 1.790 18953 13877 1 15 . 1 1 78 78 SER CB C 78 65.883 65.883 67.100 -1.217 18953 13878 1 15 . 1 1 78 78 SER H H 78 8.100 8.100 8.051 0.049 18953 13879 1 15 . 1 1 79 79 CYS N N 79 112.901 112.901 117.008 -4.107 18953 13880 1 15 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.571 0.746 18953 13881 1 15 . 1 1 79 79 CYS C C 79 179.601 179.601 172.283 7.318 18953 13882 1 15 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.075 -0.596 18953 13883 1 15 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.012 0.338 18953 13884 1 15 . 1 1 79 79 CYS H H 79 9.438 9.438 9.280 0.158 18953 13885 1 15 . 1 1 80 80 ARG N N 80 122.877 122.877 120.729 2.148 18953 13886 1 15 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.847 0.180 18953 13887 1 15 . 1 1 80 80 ARG C C 80 176.888 176.888 174.015 2.873 18953 13888 1 15 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.582 0.104 18953 13889 1 15 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.700 -0.014 18953 13890 1 15 . 1 1 80 80 ARG H H 80 10.005 10.005 9.103 0.902 18953 13891 1 15 . 1 1 81 81 MET N N 81 125.699 125.699 121.245 4.454 18953 13892 1 15 . 1 1 81 81 MET HA H 81 3.494 3.494 4.598 -1.104 18953 13893 1 15 . 1 1 81 81 MET C C 81 176.369 176.369 174.894 1.475 18953 13894 1 15 . 1 1 81 81 MET CA C 81 55.587 55.587 55.460 0.127 18953 13895 1 15 . 1 1 81 81 MET CB C 81 34.241 34.241 34.207 0.034 18953 13896 1 15 . 1 1 81 81 MET H H 81 9.198 9.198 8.551 0.647 18953 13897 1 15 . 1 1 82 82 ILE N N 82 131.119 131.119 124.058 7.061 18953 13898 1 15 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.329 -0.295 18953 13899 1 15 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.937 -0.087 18953 13900 1 15 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.288 0.905 18953 13901 1 15 . 1 1 82 82 ILE H H 82 7.744 7.744 8.383 -0.639 18953 13902 1 15 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.384 -0.183 18953 13903 1 15 . 1 1 83 83 PRO C C 83 176.434 176.434 176.858 -0.424 18953 13904 1 15 . 1 1 83 83 PRO CA C 83 62.426 62.426 63.129 -0.703 18953 13905 1 15 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.508 -0.114 18953 13906 1 15 . 1 1 84 84 LEU N N 84 120.509 120.509 121.488 -0.979 18953 13907 1 15 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.384 -0.144 18953 13908 1 15 . 1 1 84 84 LEU C C 84 174.899 174.899 175.658 -0.759 18953 13909 1 15 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.253 0.274 18953 13910 1 15 . 1 1 84 84 LEU CB C 84 41.560 41.560 40.026 1.534 18953 13911 1 15 . 1 1 84 84 LEU H H 84 7.873 7.873 8.371 -0.498 18953 13912 1 15 . 1 1 85 85 HIS N N 85 125.245 125.245 120.490 4.755 18953 13913 1 15 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.684 -0.100 18953 13914 1 15 . 1 1 85 85 HIS CA C 85 56.167 56.167 54.935 1.232 18953 13915 1 15 . 1 1 85 85 HIS CB C 85 32.644 32.644 32.098 0.546 18953 13916 1 15 . 1 1 85 85 HIS H H 85 8.600 8.600 7.374 1.226 18953 13917 1 15 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.616 0.145 18953 13918 1 15 . 1 1 86 86 HIS C C 86 177.250 177.250 174.259 2.991 18953 13919 1 15 . 1 1 86 86 HIS CA C 86 54.709 54.709 54.760 -0.051 18953 13920 1 15 . 1 1 86 86 HIS CB C 86 29.670 29.670 30.472 -0.802 18953 13921 1 15 . 1 1 86 86 HIS H H 86 8.500 8.500 8.226 0.274 18953 13922 1 15 . 1 1 87 87 GLY N N 87 107.909 107.909 109.993 -2.084 18953 13923 1 15 . 1 1 87 87 GLY C C 87 178.627 178.627 174.020 4.607 18953 13924 1 15 . 1 1 87 87 GLY CA C 87 44.861 44.861 44.837 0.024 18953 13925 1 15 . 1 1 87 87 GLY H H 87 6.662 6.662 7.996 -1.334 18953 13926 1 15 . 1 1 88 88 SER N N 88 116.742 116.742 116.149 0.593 18953 13927 1 15 . 1 1 88 88 SER HA H 88 4.528 4.528 4.761 -0.233 18953 13928 1 15 . 1 1 88 88 SER C C 88 178.527 178.527 173.005 5.522 18953 13929 1 15 . 1 1 88 88 SER CA C 88 58.279 58.279 57.973 0.306 18953 13930 1 15 . 1 1 88 88 SER CB C 88 64.360 64.360 66.185 -1.825 18953 13931 1 15 . 1 1 88 88 SER H H 88 8.235 8.235 8.225 0.010 18953 13932 1 15 . 1 1 89 89 PHE N N 89 119.985 119.985 120.882 -0.897 18953 13933 1 15 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.147 -0.579 18953 13934 1 15 . 1 1 89 89 PHE C C 89 176.551 176.551 175.540 1.011 18953 13935 1 15 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.468 -0.733 18953 13936 1 15 . 1 1 89 89 PHE CB C 89 41.321 41.321 41.628 -0.307 18953 13937 1 15 . 1 1 89 89 PHE H H 89 8.478 8.478 8.743 -0.265 18953 13938 1 15 . 1 1 90 90 LYS N N 90 122.179 122.179 127.084 -4.905 18953 13939 1 15 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.849 0.307 18953 13940 1 15 . 1 1 90 90 LYS C C 90 177.501 177.501 173.748 3.753 18953 13941 1 15 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.666 1.146 18953 13942 1 15 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.430 -0.729 18953 13943 1 15 . 1 1 90 90 LYS H H 90 9.130 9.130 8.910 0.220 18953 13944 1 15 . 1 1 91 91 MET N N 91 127.037 127.037 126.233 0.804 18953 13945 1 15 . 1 1 91 91 MET HA H 91 4.835 4.835 4.830 0.005 18953 13946 1 15 . 1 1 91 91 MET C C 91 179.276 179.276 173.689 5.587 18953 13947 1 15 . 1 1 91 91 MET CA C 91 54.527 54.527 53.857 0.670 18953 13948 1 15 . 1 1 91 91 MET CB C 91 36.920 36.920 36.469 0.451 18953 13949 1 15 . 1 1 91 91 MET H H 91 9.202 9.202 8.891 0.311 18953 13950 1 15 . 1 1 92 92 ARG N N 92 121.520 121.520 127.383 -5.863 18953 13951 1 15 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.623 0.245 18953 13952 1 15 . 1 1 92 92 ARG C C 92 177.432 177.432 174.273 3.159 18953 13953 1 15 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.105 -0.107 18953 13954 1 15 . 1 1 92 92 ARG CB C 92 34.485 34.485 32.347 2.138 18953 13955 1 15 . 1 1 92 92 ARG H H 92 8.776 8.776 9.060 -0.284 18953 13956 1 15 . 1 1 93 93 LEU N N 93 124.749 124.749 127.070 -2.321 18953 13957 1 15 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.455 -0.180 18953 13958 1 15 . 1 1 93 93 LEU C C 93 176.662 176.662 174.843 1.819 18953 13959 1 15 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.865 -0.169 18953 13960 1 15 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.685 0.205 18953 13961 1 15 . 1 1 93 93 LEU H H 93 8.841 8.841 8.892 -0.051 18953 13962 1 15 . 1 1 94 94 TYR N N 94 116.673 116.673 120.304 -3.631 18953 13963 1 15 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.997 0.427 18953 13964 1 15 . 1 1 94 94 TYR C C 94 175.232 175.232 175.559 -0.327 18953 13965 1 15 . 1 1 94 94 TYR CA C 94 57.061 57.061 56.959 0.102 18953 13966 1 15 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.696 -1.333 18953 13967 1 15 . 1 1 94 94 TYR H H 94 8.161 8.161 8.780 -0.619 18953 13968 1 15 . 1 1 95 95 GLU N N 95 121.556 121.556 123.500 -1.944 18953 13969 1 15 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.111 -0.077 18953 13970 1 15 . 1 1 95 95 GLU C C 95 174.587 174.587 176.167 -1.580 18953 13971 1 15 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.285 0.675 18953 13972 1 15 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.127 3.397 18953 13973 1 15 . 1 1 95 95 GLU H H 95 8.537 8.537 8.483 0.054 18953 13974 1 15 . 1 1 96 96 HIS N N 96 113.214 113.214 116.957 -3.743 18953 13975 1 15 . 1 1 96 96 HIS HA H 96 5.306 5.306 5.031 0.275 18953 13976 1 15 . 1 1 96 96 HIS C C 96 175.830 175.830 174.769 1.061 18953 13977 1 15 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.456 -0.310 18953 13978 1 15 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.452 0.912 18953 13979 1 15 . 1 1 96 96 HIS H H 96 8.154 8.154 7.784 0.370 18953 13980 1 15 . 1 1 97 97 SER N N 97 115.997 115.997 115.494 0.503 18953 13981 1 15 . 1 1 97 97 SER HA H 97 4.196 4.196 4.680 -0.484 18953 13982 1 15 . 1 1 97 97 SER C C 97 177.588 177.588 175.430 2.158 18953 13983 1 15 . 1 1 97 97 SER CA C 97 59.180 59.180 59.842 -0.662 18953 13984 1 15 . 1 1 97 97 SER CB C 97 63.740 63.740 63.645 0.095 18953 13985 1 15 . 1 1 97 97 SER H H 97 8.728 8.728 8.684 0.044 18953 13986 1 15 . 1 1 98 98 ASP N N 98 116.560 116.560 120.805 -4.245 18953 13987 1 15 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.254 -0.289 18953 13988 1 15 . 1 1 98 98 ASP C C 98 176.991 176.991 175.818 1.173 18953 13989 1 15 . 1 1 98 98 ASP CA C 98 56.873 56.873 56.827 0.047 18953 13990 1 15 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.422 0.092 18953 13991 1 15 . 1 1 98 98 ASP H H 98 9.714 9.714 8.740 0.974 18953 13992 1 15 . 1 1 99 99 MET N N 99 112.109 112.109 119.834 -7.725 18953 13993 1 15 . 1 1 99 99 MET HA H 99 2.689 2.689 4.047 -1.358 18953 13994 1 15 . 1 1 99 99 MET C C 99 176.133 176.133 174.879 1.254 18953 13995 1 15 . 1 1 99 99 MET CA C 99 56.596 56.596 54.077 2.519 18953 13996 1 15 . 1 1 99 99 MET CB C 99 27.203 27.203 32.689 -5.486 18953 13997 1 15 . 1 1 99 99 MET H H 99 8.425 8.425 7.911 0.514 18953 13998 1 15 . 1 1 100 100 GLY N N 100 104.572 104.572 108.271 -3.699 18953 13999 1 15 . 1 1 100 100 GLY C C 100 177.855 177.855 174.299 3.556 18953 14000 1 15 . 1 1 100 100 GLY CA C 100 44.345 44.345 44.071 0.274 18953 14001 1 15 . 1 1 100 100 GLY H H 100 6.670 6.670 7.574 -0.904 18953 14002 1 15 . 1 1 101 101 GLY N N 101 105.792 105.792 107.494 -1.702 18953 14003 1 15 . 1 1 101 101 GLY C C 101 177.525 177.525 173.780 3.745 18953 14004 1 15 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.224 0.882 18953 14005 1 15 . 1 1 101 101 GLY H H 101 8.446 8.446 8.090 0.356 18953 14006 1 15 . 1 1 102 102 ARG N N 102 121.688 121.688 121.704 -0.016 18953 14007 1 15 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.367 -0.369 18953 14008 1 15 . 1 1 102 102 ARG C C 102 177.803 177.803 176.216 1.587 18953 14009 1 15 . 1 1 102 102 ARG CA C 102 58.368 58.368 55.373 2.994 18953 14010 1 15 . 1 1 102 102 ARG CB C 102 31.684 31.684 31.269 0.415 18953 14011 1 15 . 1 1 102 102 ARG H H 102 8.785 8.785 8.161 0.624 18953 14012 1 15 . 1 1 103 103 MET N N 103 122.371 122.371 122.294 0.077 18953 14013 1 15 . 1 1 103 103 MET HA H 103 4.754 4.754 4.842 -0.088 18953 14014 1 15 . 1 1 103 103 MET C C 103 175.490 175.490 175.206 0.284 18953 14015 1 15 . 1 1 103 103 MET CA C 103 53.993 53.993 54.241 -0.248 18953 14016 1 15 . 1 1 103 103 MET CB C 103 34.860 34.860 32.716 2.144 18953 14017 1 15 . 1 1 103 103 MET H H 103 7.905 7.905 8.357 -0.452 18953 14018 1 15 . 1 1 104 104 MET N N 104 127.629 127.629 123.405 4.224 18953 14019 1 15 . 1 1 104 104 MET HA H 104 4.318 4.318 4.553 -0.235 18953 14020 1 15 . 1 1 104 104 MET C C 104 177.870 177.870 175.053 2.817 18953 14021 1 15 . 1 1 104 104 MET CA C 104 54.080 54.080 54.030 0.050 18953 14022 1 15 . 1 1 104 104 MET CB C 104 35.315 35.315 33.935 1.380 18953 14023 1 15 . 1 1 104 104 MET H H 104 8.796 8.796 8.126 0.670 18953 14024 1 15 . 1 1 105 105 GLU N N 105 123.753 123.753 121.791 1.962 18953 14025 1 15 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.944 -0.098 18953 14026 1 15 . 1 1 105 105 GLU C C 105 176.871 176.871 175.643 1.228 18953 14027 1 15 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.537 0.151 18953 14028 1 15 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.577 1.938 18953 14029 1 15 . 1 1 105 105 GLU H H 105 8.467 8.467 8.459 0.008 18953 14030 1 15 . 1 1 106 106 LEU N N 106 125.076 125.076 125.399 -0.323 18953 14031 1 15 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.893 -0.005 18953 14032 1 15 . 1 1 106 106 LEU C C 106 175.666 175.666 175.287 0.379 18953 14033 1 15 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.982 -0.082 18953 14034 1 15 . 1 1 106 106 LEU CB C 106 46.797 46.797 45.216 1.581 18953 14035 1 15 . 1 1 106 106 LEU H H 106 8.933 8.933 8.925 0.008 18953 14036 1 15 . 1 1 107 107 MET N N 107 120.889 120.889 124.194 -3.305 18953 14037 1 15 . 1 1 107 107 MET HA H 107 5.152 5.152 4.796 0.356 18953 14038 1 15 . 1 1 107 107 MET C C 107 177.873 177.873 175.007 2.866 18953 14039 1 15 . 1 1 107 107 MET CA C 107 55.430 55.430 56.329 -0.899 18953 14040 1 15 . 1 1 107 107 MET CB C 107 35.107 35.107 34.132 0.975 18953 14041 1 15 . 1 1 107 107 MET H H 107 9.099 9.099 8.824 0.275 18953 14042 1 15 . 1 1 108 108 ASP N N 108 120.261 120.261 118.636 1.625 18953 14043 1 15 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.762 -0.313 18953 14044 1 15 . 1 1 108 108 ASP C C 108 178.998 178.998 175.000 3.998 18953 14045 1 15 . 1 1 108 108 ASP CA C 108 51.953 51.953 51.899 0.054 18953 14046 1 15 . 1 1 108 108 ASP CB C 108 43.335 43.335 42.089 1.246 18953 14047 1 15 . 1 1 108 108 ASP H H 108 7.874 7.874 7.908 -0.034 18953 14048 1 15 . 1 1 109 109 ASP N N 109 115.191 115.191 117.511 -2.320 18953 14049 1 15 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.714 0.124 18953 14050 1 15 . 1 1 109 109 ASP C C 109 174.768 174.768 175.593 -0.825 18953 14051 1 15 . 1 1 109 109 ASP CA C 109 55.106 55.106 53.119 1.987 18953 14052 1 15 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.840 -0.782 18953 14053 1 15 . 1 1 109 109 ASP H H 109 8.065 8.065 8.309 -0.244 18953 14054 1 15 . 1 1 110 110 CYS N N 110 120.716 120.716 121.997 -1.281 18953 14055 1 15 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.891 0.248 18953 14056 1 15 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.628 0.189 18953 14057 1 15 . 1 1 110 110 CYS CB C 110 29.730 29.730 29.314 0.416 18953 14058 1 15 . 1 1 110 110 CYS H H 110 9.583 9.583 8.525 1.058 18953 14059 1 15 . 1 1 111 111 PRO HA H 111 3.971 3.971 3.913 0.058 18953 14060 1 15 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.415 -0.271 18953 14061 1 15 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.002 -0.093 18953 14062 1 15 . 1 1 112 112 ASN N N 112 116.300 116.300 115.298 1.002 18953 14063 1 15 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.804 -0.029 18953 14064 1 15 . 1 1 112 112 ASN C C 112 175.948 175.948 175.643 0.305 18953 14065 1 15 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.159 1.962 18953 14066 1 15 . 1 1 112 112 ASN CB C 112 38.709 38.709 38.852 -0.144 18953 14067 1 15 . 1 1 112 112 ASN H H 112 7.385 7.385 7.742 -0.357 18953 14068 1 15 . 1 1 113 113 LEU N N 113 129.895 129.895 124.181 5.714 18953 14069 1 15 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.034 0.123 18953 14070 1 15 . 1 1 113 113 LEU C C 113 173.709 173.709 178.178 -4.469 18953 14071 1 15 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.481 1.408 18953 14072 1 15 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.443 0.008 18953 14073 1 15 . 1 1 113 113 LEU H H 113 8.154 8.154 8.512 -0.358 18953 14074 1 15 . 1 1 114 114 MET N N 114 120.939 120.939 117.119 3.820 18953 14075 1 15 . 1 1 114 114 MET HA H 114 4.204 4.204 4.065 0.139 18953 14076 1 15 . 1 1 114 114 MET C C 114 171.942 171.942 177.915 -5.973 18953 14077 1 15 . 1 1 114 114 MET CA C 114 58.354 58.354 59.442 -1.088 18953 14078 1 15 . 1 1 114 114 MET CB C 114 31.118 31.118 31.941 -0.823 18953 14079 1 15 . 1 1 114 114 MET H H 114 8.421 8.421 8.178 0.243 18953 14080 1 15 . 1 1 115 115 ASP N N 115 119.204 119.204 117.809 1.395 18953 14081 1 15 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.566 -0.293 18953 14082 1 15 . 1 1 115 115 ASP C C 115 174.228 174.228 177.633 -3.405 18953 14083 1 15 . 1 1 115 115 ASP CA C 115 56.737 56.737 55.952 0.785 18953 14084 1 15 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.382 0.239 18953 14085 1 15 . 1 1 115 115 ASP H H 115 7.695 7.695 7.730 -0.035 18953 14086 1 15 . 1 1 116 116 ARG N N 116 116.937 116.937 118.940 -2.003 18953 14087 1 15 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.013 0.045 18953 14088 1 15 . 1 1 116 116 ARG C C 116 174.084 174.084 177.477 -3.393 18953 14089 1 15 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.136 -0.297 18953 14090 1 15 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.298 1.801 18953 14091 1 15 . 1 1 116 116 ARG H H 116 7.118 7.118 7.298 -0.180 18953 14092 1 15 . 1 1 117 117 PHE N N 117 113.914 113.914 114.149 -0.235 18953 14093 1 15 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.793 0.332 18953 14094 1 15 . 1 1 117 117 PHE C C 117 175.681 175.681 174.443 1.238 18953 14095 1 15 . 1 1 117 117 PHE CA C 117 57.040 57.040 57.093 -0.053 18953 14096 1 15 . 1 1 117 117 PHE CB C 117 41.881 41.881 39.274 2.607 18953 14097 1 15 . 1 1 117 117 PHE H H 117 8.641 8.641 7.609 1.032 18953 14098 1 15 . 1 1 118 118 ASN N N 118 117.137 117.137 115.192 1.945 18953 14099 1 15 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.577 0.269 18953 14100 1 15 . 1 1 118 118 ASN C C 118 177.553 177.553 174.514 3.039 18953 14101 1 15 . 1 1 118 118 ASN CA C 118 55.038 55.038 53.871 1.167 18953 14102 1 15 . 1 1 118 118 ASN CB C 118 38.049 38.049 36.825 1.224 18953 14103 1 15 . 1 1 118 118 ASN H H 118 8.478 8.478 7.951 0.527 18953 14104 1 15 . 1 1 119 119 MET N N 119 114.316 114.316 114.959 -0.643 18953 14105 1 15 . 1 1 119 119 MET HA H 119 4.386 4.386 4.661 -0.275 18953 14106 1 15 . 1 1 119 119 MET C C 119 178.321 178.321 174.116 4.205 18953 14107 1 15 . 1 1 119 119 MET CA C 119 55.950 55.950 54.398 1.552 18953 14108 1 15 . 1 1 119 119 MET CB C 119 37.233 37.233 35.594 1.639 18953 14109 1 15 . 1 1 119 119 MET H H 119 7.286 7.286 7.651 -0.365 18953 14110 1 15 . 1 1 120 120 SER N N 120 111.310 111.310 113.811 -2.501 18953 14111 1 15 . 1 1 120 120 SER HA H 120 4.682 4.682 4.954 -0.272 18953 14112 1 15 . 1 1 120 120 SER C C 120 179.047 179.047 172.947 6.100 18953 14113 1 15 . 1 1 120 120 SER CA C 120 57.435 57.435 57.879 -0.444 18953 14114 1 15 . 1 1 120 120 SER CB C 120 65.594 65.594 64.861 0.733 18953 14115 1 15 . 1 1 120 120 SER H H 120 8.361 8.361 8.435 -0.074 18953 14116 1 15 . 1 1 121 121 ASP N N 121 120.422 120.422 119.977 0.445 18953 14117 1 15 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.418 -0.336 18953 14118 1 15 . 1 1 121 121 ASP C C 121 177.532 177.532 174.793 2.739 18953 14119 1 15 . 1 1 121 121 ASP CA C 121 53.630 53.630 52.406 1.224 18953 14120 1 15 . 1 1 121 121 ASP CB C 121 43.513 43.513 40.953 2.560 18953 14121 1 15 . 1 1 121 121 ASP H H 121 6.829 6.829 7.385 -0.556 18953 14122 1 15 . 1 1 122 122 PHE N N 122 120.611 120.611 120.570 0.041 18953 14123 1 15 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.500 0.195 18953 14124 1 15 . 1 1 122 122 PHE C C 122 177.316 177.316 175.045 2.271 18953 14125 1 15 . 1 1 122 122 PHE CA C 122 57.660 57.660 55.716 1.944 18953 14126 1 15 . 1 1 122 122 PHE CB C 122 40.871 40.871 40.726 0.145 18953 14127 1 15 . 1 1 122 122 PHE H H 122 8.376 8.376 8.173 0.203 18953 14128 1 15 . 1 1 123 123 HIS N N 123 116.193 116.193 119.194 -3.001 18953 14129 1 15 . 1 1 123 123 HIS HA H 123 4.765 4.765 4.977 -0.212 18953 14130 1 15 . 1 1 123 123 HIS C C 123 176.431 176.431 175.192 1.239 18953 14131 1 15 . 1 1 123 123 HIS CA C 123 57.604 57.604 55.913 1.691 18953 14132 1 15 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.145 2.135 18953 14133 1 15 . 1 1 123 123 HIS H H 123 7.577 7.577 8.268 -0.691 18953 14134 1 15 . 1 1 124 124 SER N N 124 107.332 107.332 112.617 -5.285 18953 14135 1 15 . 1 1 124 124 SER HA H 124 4.698 4.698 5.339 -0.641 18953 14136 1 15 . 1 1 124 124 SER C C 124 178.179 178.179 172.900 5.279 18953 14137 1 15 . 1 1 124 124 SER CA C 124 59.556 59.556 57.186 2.370 18953 14138 1 15 . 1 1 124 124 SER CB C 124 65.667 65.667 66.506 -0.839 18953 14139 1 15 . 1 1 124 124 SER H H 124 8.256 8.256 8.394 -0.138 18953 14140 1 15 . 1 1 125 125 CYS N N 125 113.874 113.874 119.641 -5.767 18953 14141 1 15 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.451 0.100 18953 14142 1 15 . 1 1 125 125 CYS C C 125 179.655 179.655 172.915 6.740 18953 14143 1 15 . 1 1 125 125 CYS CA C 125 57.871 57.871 58.377 -0.506 18953 14144 1 15 . 1 1 125 125 CYS CB C 125 30.586 30.586 31.518 -0.932 18953 14145 1 15 . 1 1 125 125 CYS H H 125 9.561 9.561 8.863 0.698 18953 14146 1 15 . 1 1 126 126 HIS N N 126 124.829 124.829 122.053 2.776 18953 14147 1 15 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.294 0.187 18953 14148 1 15 . 1 1 126 126 HIS C C 126 176.575 176.575 172.555 4.020 18953 14149 1 15 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.398 -2.091 18953 14150 1 15 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.747 1.376 18953 14151 1 15 . 1 1 126 126 HIS H H 126 9.858 9.858 9.049 0.809 18953 14152 1 15 . 1 1 127 127 VAL N N 127 128.620 128.620 125.086 3.534 18953 14153 1 15 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.140 -0.266 18953 14154 1 15 . 1 1 127 127 VAL C C 127 176.660 176.660 174.416 2.244 18953 14155 1 15 . 1 1 127 127 VAL CA C 127 63.485 63.485 60.928 2.557 18953 14156 1 15 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.693 -2.693 18953 14157 1 15 . 1 1 127 127 VAL H H 127 9.408 9.408 8.151 1.257 18953 14158 1 15 . 1 1 128 128 MET N N 128 129.466 129.466 125.925 3.541 18953 14159 1 15 . 1 1 128 128 MET HA H 128 3.930 3.930 4.339 -0.409 18953 14160 1 15 . 1 1 128 128 MET C C 128 176.093 176.093 175.465 0.628 18953 14161 1 15 . 1 1 128 128 MET CA C 128 58.109 58.109 57.607 0.502 18953 14162 1 15 . 1 1 128 128 MET CB C 128 34.019 34.019 33.374 0.645 18953 14163 1 15 . 1 1 128 128 MET H H 128 7.906 7.906 8.610 -0.704 18953 14164 1 15 . 1 1 129 129 ASP N N 129 116.435 116.435 114.788 1.647 18953 14165 1 15 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.603 0.229 18953 14166 1 15 . 1 1 129 129 ASP C C 129 174.959 174.959 175.209 -0.250 18953 14167 1 15 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.352 -0.172 18953 14168 1 15 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.505 2.626 18953 14169 1 15 . 1 1 129 129 ASP H H 129 8.349 8.349 7.533 0.816 18953 14170 1 15 . 1 1 130 130 GLY N N 130 113.062 113.062 108.109 4.953 18953 14171 1 15 . 1 1 130 130 GLY C C 130 183.642 183.642 172.250 11.392 18953 14172 1 15 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.784 -0.312 18953 14173 1 15 . 1 1 130 130 GLY H H 130 8.479 8.479 8.254 0.225 18953 14174 1 15 . 1 1 131 131 HIS N N 131 114.389 114.389 119.897 -5.508 18953 14175 1 15 . 1 1 131 131 HIS HA H 131 5.002 5.002 5.139 -0.137 18953 14176 1 15 . 1 1 131 131 HIS C C 131 176.470 176.470 173.609 2.861 18953 14177 1 15 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.399 0.919 18953 14178 1 15 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.452 1.583 18953 14179 1 15 . 1 1 131 131 HIS H H 131 6.228 6.228 7.955 -1.727 18953 14180 1 15 . 1 1 132 132 TRP N N 132 122.333 122.333 122.482 -0.149 18953 14181 1 15 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.240 -0.105 18953 14182 1 15 . 1 1 132 132 TRP C C 132 177.557 177.557 174.974 2.583 18953 14183 1 15 . 1 1 132 132 TRP CA C 132 56.896 56.896 56.158 0.738 18953 14184 1 15 . 1 1 132 132 TRP CB C 132 33.795 33.795 32.475 1.320 18953 14185 1 15 . 1 1 132 132 TRP H H 132 8.838 8.838 9.338 -0.500 18953 14186 1 15 . 1 1 133 133 LEU N N 133 121.883 121.883 123.509 -1.626 18953 14187 1 15 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.173 -0.051 18953 14188 1 15 . 1 1 133 133 LEU C C 133 176.457 176.457 176.003 0.454 18953 14189 1 15 . 1 1 133 133 LEU CA C 133 53.536 53.536 54.280 -0.744 18953 14190 1 15 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.410 3.160 18953 14191 1 15 . 1 1 133 133 LEU H H 133 9.403 9.403 9.287 0.116 18953 14192 1 15 . 1 1 134 134 VAL N N 134 123.013 123.013 122.295 0.718 18953 14193 1 15 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.556 0.003 18953 14194 1 15 . 1 1 134 134 VAL C C 134 177.780 177.780 174.856 2.924 18953 14195 1 15 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.005 -0.056 18953 14196 1 15 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.618 -0.529 18953 14197 1 15 . 1 1 134 134 VAL H H 134 8.948 8.948 9.131 -0.183 18953 14198 1 15 . 1 1 135 135 TYR N N 135 122.405 122.405 125.376 -2.971 18953 14199 1 15 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.814 0.726 18953 14200 1 15 . 1 1 135 135 TYR C C 135 172.456 172.456 176.079 -3.623 18953 14201 1 15 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.825 -0.828 18953 14202 1 15 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.205 -0.460 18953 14203 1 15 . 1 1 135 135 TYR H H 135 9.068 9.068 9.582 -0.514 18953 14204 1 15 . 1 1 136 136 GLU N N 136 121.335 121.335 124.582 -3.247 18953 14205 1 15 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.364 -0.261 18953 14206 1 15 . 1 1 136 136 GLU C C 136 176.022 176.022 176.793 -0.771 18953 14207 1 15 . 1 1 136 136 GLU CA C 136 59.896 59.896 59.006 0.890 18953 14208 1 15 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.526 2.401 18953 14209 1 15 . 1 1 136 136 GLU H H 136 9.360 9.360 8.461 0.899 18953 14210 1 15 . 1 1 137 137 GLN N N 137 111.530 111.530 116.186 -4.656 18953 14211 1 15 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.806 0.161 18953 14212 1 15 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.775 0.058 18953 14213 1 15 . 1 1 137 137 GLN CB C 137 29.142 29.142 30.900 -1.758 18953 14214 1 15 . 1 1 137 137 GLN H H 137 7.808 7.808 8.075 -0.267 18953 14215 1 15 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.230 -0.088 18953 14216 1 15 . 1 1 138 138 PRO C C 138 176.607 176.607 177.056 -0.449 18953 14217 1 15 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.220 -0.759 18953 14218 1 15 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.633 0.560 18953 14219 1 15 . 1 1 139 139 ASN N N 139 113.240 113.240 115.384 -2.144 18953 14220 1 15 . 1 1 139 139 ASN HA H 139 3.356 3.356 3.979 -0.623 18953 14221 1 15 . 1 1 139 139 ASN C C 139 177.996 177.996 173.988 4.008 18953 14222 1 15 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.176 0.071 18953 14223 1 15 . 1 1 139 139 ASN CB C 139 36.635 36.635 36.831 -0.197 18953 14224 1 15 . 1 1 139 139 ASN H H 139 9.683 9.683 8.170 1.513 18953 14225 1 15 . 1 1 140 140 TYR N N 140 113.289 113.289 109.730 3.559 18953 14226 1 15 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.050 -0.290 18953 14227 1 15 . 1 1 140 140 TYR C C 140 176.488 176.488 175.165 1.323 18953 14228 1 15 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.400 -3.104 18953 14229 1 15 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.791 -0.831 18953 14230 1 15 . 1 1 140 140 TYR H H 140 8.000 8.000 7.627 0.373 18953 14231 1 15 . 1 1 141 141 THR N N 141 108.766 108.766 113.813 -5.047 18953 14232 1 15 . 1 1 141 141 THR HA H 141 4.697 4.697 4.879 -0.182 18953 14233 1 15 . 1 1 141 141 THR C C 141 178.578 178.578 173.611 4.967 18953 14234 1 15 . 1 1 141 141 THR CA C 141 60.128 60.128 60.980 -0.852 18953 14235 1 15 . 1 1 141 141 THR CB C 141 72.848 72.848 71.894 0.954 18953 14236 1 15 . 1 1 141 141 THR H H 141 6.280 6.280 7.871 -1.591 18953 14237 1 15 . 1 1 142 142 GLY N N 142 106.121 106.121 108.874 -2.753 18953 14238 1 15 . 1 1 142 142 GLY C C 142 177.117 177.117 173.172 3.945 18953 14239 1 15 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.683 -0.516 18953 14240 1 15 . 1 1 142 142 GLY H H 142 8.285 8.285 8.393 -0.108 18953 14241 1 15 . 1 1 143 143 ARG N N 143 120.212 120.212 121.796 -1.584 18953 14242 1 15 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.861 0.075 18953 14243 1 15 . 1 1 143 143 ARG C C 143 177.580 177.580 176.059 1.521 18953 14244 1 15 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.966 1.154 18953 14245 1 15 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.806 1.350 18953 14246 1 15 . 1 1 143 143 ARG H H 143 8.583 8.583 8.342 0.241 18953 14247 1 15 . 1 1 144 144 GLN N N 144 119.516 119.516 121.832 -2.316 18953 14248 1 15 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.780 0.111 18953 14249 1 15 . 1 1 144 144 GLN C C 144 176.985 176.985 174.851 2.134 18953 14250 1 15 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.819 -1.497 18953 14251 1 15 . 1 1 144 144 GLN CB C 144 32.645 32.645 30.008 2.638 18953 14252 1 15 . 1 1 144 144 GLN H H 144 7.552 7.552 7.906 -0.354 18953 14253 1 15 . 1 1 145 145 PHE N N 145 114.745 114.745 119.031 -4.286 18953 14254 1 15 . 1 1 145 145 PHE HA H 145 4.657 4.657 5.071 -0.414 18953 14255 1 15 . 1 1 145 145 PHE C C 145 176.969 176.969 175.017 1.952 18953 14256 1 15 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.109 -0.203 18953 14257 1 15 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.378 -0.111 18953 14258 1 15 . 1 1 145 145 PHE H H 145 8.696 8.696 8.863 -0.167 18953 14259 1 15 . 1 1 146 146 TYR N N 146 124.271 124.271 126.916 -2.645 18953 14260 1 15 . 1 1 146 146 TYR HA H 146 5.274 5.274 5.082 0.192 18953 14261 1 15 . 1 1 146 146 TYR C C 146 176.212 176.212 174.199 2.013 18953 14262 1 15 . 1 1 146 146 TYR CA C 146 55.740 55.740 56.098 -0.358 18953 14263 1 15 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.382 -0.148 18953 14264 1 15 . 1 1 146 146 TYR H H 146 8.915 8.915 8.736 0.179 18953 14265 1 15 . 1 1 147 147 LEU N N 147 103.207 103.207 130.050 -26.843 18953 14266 1 15 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.494 -0.103 18953 14267 1 15 . 1 1 147 147 LEU C C 147 178.198 178.198 175.719 2.479 18953 14268 1 15 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.042 0.927 18953 14269 1 15 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.999 1.146 18953 14270 1 15 . 1 1 147 147 LEU H H 147 9.229 9.229 9.286 -0.057 18953 14271 1 15 . 1 1 148 148 ARG N N 148 120.815 120.815 122.172 -1.357 18953 14272 1 15 . 1 1 148 148 ARG HA H 148 4.579 4.579 5.139 -0.560 18953 14273 1 15 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.681 0.313 18953 14274 1 15 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.564 -0.308 18953 14275 1 15 . 1 1 148 148 ARG H H 148 6.955 6.955 9.421 -2.466 18953 14276 1 15 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.127 0.059 18953 14277 1 15 . 1 1 149 149 PRO C C 149 175.154 175.154 177.595 -2.441 18953 14278 1 15 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.535 1.321 18953 14279 1 15 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.843 -0.206 18953 14280 1 15 . 1 1 150 150 GLY N N 150 111.695 111.695 108.366 3.329 18953 14281 1 15 . 1 1 150 150 GLY C C 150 179.740 179.740 172.067 7.673 18953 14282 1 15 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.365 0.248 18953 14283 1 15 . 1 1 150 150 GLY H H 150 8.965 8.965 7.755 1.210 18953 14284 1 15 . 1 1 151 151 GLU N N 151 118.822 118.822 120.091 -1.269 18953 14285 1 15 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.672 -0.349 18953 14286 1 15 . 1 1 151 151 GLU C C 151 176.078 176.078 175.047 1.031 18953 14287 1 15 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.447 1.106 18953 14288 1 15 . 1 1 151 151 GLU CB C 151 31.878 31.878 31.971 -0.093 18953 14289 1 15 . 1 1 151 151 GLU H H 151 8.403 8.403 8.230 0.173 18953 14290 1 15 . 1 1 152 152 TYR N N 152 123.055 123.055 122.530 0.525 18953 14291 1 15 . 1 1 152 152 TYR HA H 152 4.740 4.740 5.135 -0.395 18953 14292 1 15 . 1 1 152 152 TYR C C 152 176.413 176.413 176.664 -0.251 18953 14293 1 15 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.720 -0.750 18953 14294 1 15 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.206 -2.432 18953 14295 1 15 . 1 1 152 152 TYR H H 152 8.859 8.859 9.313 -0.454 18953 14296 1 15 . 1 1 153 153 ARG N N 153 124.271 124.271 118.332 5.939 18953 14297 1 15 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.834 -0.818 18953 14298 1 15 . 1 1 153 153 ARG C C 153 176.727 176.727 175.598 1.129 18953 14299 1 15 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.791 4.413 18953 14300 1 15 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.510 -2.170 18953 14301 1 15 . 1 1 153 153 ARG H H 153 8.882 8.882 8.648 0.234 18953 14302 1 15 . 1 1 154 154 SER N N 154 111.500 111.500 111.776 -0.276 18953 14303 1 15 . 1 1 154 154 SER HA H 154 5.194 5.194 4.576 0.618 18953 14304 1 15 . 1 1 154 154 SER C C 154 176.379 176.379 173.595 2.784 18953 14305 1 15 . 1 1 154 154 SER CA C 154 56.894 56.894 56.167 0.727 18953 14306 1 15 . 1 1 154 154 SER CB C 154 66.352 66.352 65.846 0.506 18953 14307 1 15 . 1 1 154 154 SER H H 154 8.070 8.070 7.236 0.834 18953 14308 1 15 . 1 1 155 155 TYR N N 155 119.386 119.386 120.755 -1.369 18953 14309 1 15 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.071 -1.908 18953 14310 1 15 . 1 1 155 155 TYR C C 155 174.639 174.639 176.737 -2.098 18953 14311 1 15 . 1 1 155 155 TYR CA C 155 57.369 57.369 60.934 -3.565 18953 14312 1 15 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.469 0.930 18953 14313 1 15 . 1 1 155 155 TYR H H 155 7.638 7.638 7.336 0.302 18953 14314 1 15 . 1 1 156 156 ASN N N 156 119.038 119.038 112.699 6.339 18953 14315 1 15 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.370 -0.250 18953 14316 1 15 . 1 1 156 156 ASN C C 156 172.889 172.889 175.428 -2.539 18953 14317 1 15 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.425 2.171 18953 14318 1 15 . 1 1 156 156 ASN CB C 156 38.621 38.621 37.616 1.005 18953 14319 1 15 . 1 1 156 156 ASN H H 156 6.819 6.819 7.705 -0.886 18953 14320 1 15 . 1 1 157 157 ASP N N 157 118.338 118.338 120.667 -2.329 18953 14321 1 15 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.508 0.073 18953 14322 1 15 . 1 1 157 157 ASP C C 157 173.908 173.908 176.724 -2.816 18953 14323 1 15 . 1 1 157 157 ASP CA C 157 57.382 57.382 56.200 1.182 18953 14324 1 15 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.730 -0.103 18953 14325 1 15 . 1 1 157 157 ASP H H 157 7.791 7.791 7.588 0.203 18953 14326 1 15 . 1 1 158 158 TRP N N 158 114.610 114.610 119.080 -4.470 18953 14327 1 15 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.788 0.546 18953 14328 1 15 . 1 1 158 158 TRP C C 158 175.711 175.711 176.496 -0.785 18953 14329 1 15 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.554 0.515 18953 14330 1 15 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.579 -0.460 18953 14331 1 15 . 1 1 158 158 TRP H H 158 7.000 7.000 6.772 0.228 18953 14332 1 15 . 1 1 159 159 GLY N N 159 108.647 108.647 108.134 0.513 18953 14333 1 15 . 1 1 159 159 GLY C C 159 175.991 175.991 174.479 1.512 18953 14334 1 15 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.376 0.356 18953 14335 1 15 . 1 1 159 159 GLY H H 159 7.588 7.588 7.772 -0.184 18953 14336 1 15 . 1 1 160 160 GLY N N 160 107.348 107.348 106.148 1.200 18953 14337 1 15 . 1 1 160 160 GLY C C 160 178.604 178.604 173.242 5.362 18953 14338 1 15 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.663 1.693 18953 14339 1 15 . 1 1 160 160 GLY H H 160 7.326 7.326 7.892 -0.566 18953 14340 1 15 . 1 1 161 161 VAL N N 161 118.047 118.047 116.443 1.604 18953 14341 1 15 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.252 0.000 18953 14342 1 15 . 1 1 161 161 VAL C C 161 175.118 175.118 175.260 -0.142 18953 14343 1 15 . 1 1 161 161 VAL CA C 161 63.303 63.303 63.319 -0.015 18953 14344 1 15 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.071 -0.236 18953 14345 1 15 . 1 1 161 161 VAL H H 161 8.697 8.697 8.550 0.147 18953 14346 1 15 . 1 1 162 162 THR N N 162 111.630 111.630 110.896 0.734 18953 14347 1 15 . 1 1 162 162 THR HA H 162 3.659 3.659 4.477 -0.818 18953 14348 1 15 . 1 1 162 162 THR C C 162 179.191 179.191 174.294 4.897 18953 14349 1 15 . 1 1 162 162 THR CA C 162 59.431 59.431 60.731 -1.300 18953 14350 1 15 . 1 1 162 162 THR CB C 162 71.935 71.935 71.566 0.369 18953 14351 1 15 . 1 1 162 162 THR H H 162 7.864 7.864 7.840 0.024 18953 14352 1 15 . 1 1 163 163 SER N N 163 112.275 112.275 114.010 -1.735 18953 14353 1 15 . 1 1 163 163 SER HA H 163 4.018 4.018 4.927 -0.909 18953 14354 1 15 . 1 1 163 163 SER C C 163 178.307 178.307 174.701 3.606 18953 14355 1 15 . 1 1 163 163 SER CA C 163 57.968 57.968 58.021 -0.053 18953 14356 1 15 . 1 1 163 163 SER CB C 163 63.093 63.093 64.458 -1.365 18953 14357 1 15 . 1 1 163 163 SER H H 163 7.502 7.502 8.618 -1.116 18953 14358 1 15 . 1 1 164 164 ARG N N 164 122.770 122.770 124.146 -1.376 18953 14359 1 15 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.421 0.004 18953 14360 1 15 . 1 1 164 164 ARG C C 164 175.003 175.003 175.072 -0.069 18953 14361 1 15 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.629 0.508 18953 14362 1 15 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.476 1.977 18953 14363 1 15 . 1 1 164 164 ARG H H 164 7.578 7.578 7.717 -0.139 18953 14364 1 15 . 1 1 165 165 MET N N 165 122.454 122.454 121.239 1.215 18953 14365 1 15 . 1 1 165 165 MET HA H 165 4.620 4.620 4.979 -0.359 18953 14366 1 15 . 1 1 165 165 MET C C 165 177.244 177.244 176.008 1.236 18953 14367 1 15 . 1 1 165 165 MET CA C 165 56.192 56.192 55.306 0.886 18953 14368 1 15 . 1 1 165 165 MET CB C 165 37.269 37.269 33.964 3.305 18953 14369 1 15 . 1 1 165 165 MET H H 165 8.480 8.480 8.792 -0.312 18953 14370 1 15 . 1 1 166 166 GLY N N 166 107.987 107.987 110.470 -2.483 18953 14371 1 15 . 1 1 166 166 GLY C C 166 177.648 177.648 173.342 4.306 18953 14372 1 15 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.784 0.908 18953 14373 1 15 . 1 1 166 166 GLY H H 166 9.046 9.046 8.669 0.376 18953 14374 1 15 . 1 1 167 167 SER N N 167 113.024 113.024 115.987 -2.963 18953 14375 1 15 . 1 1 167 167 SER HA H 167 4.562 4.562 5.660 -1.098 18953 14376 1 15 . 1 1 167 167 SER C C 167 179.104 179.104 172.805 6.299 18953 14377 1 15 . 1 1 167 167 SER CA C 167 58.729 58.729 56.118 2.611 18953 14378 1 15 . 1 1 167 167 SER CB C 167 64.816 64.816 65.608 -0.792 18953 14379 1 15 . 1 1 167 167 SER H H 167 8.257 8.257 7.978 0.279 18953 14380 1 15 . 1 1 168 168 ILE N N 168 118.927 118.927 122.454 -3.527 18953 14381 1 15 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.133 0.375 18953 14382 1 15 . 1 1 168 168 ILE C C 168 177.783 177.783 174.116 3.667 18953 14383 1 15 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.981 0.180 18953 14384 1 15 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.188 1.022 18953 14385 1 15 . 1 1 168 168 ILE H H 168 8.922 8.922 8.955 -0.033 18953 14386 1 15 . 1 1 169 169 ARG N N 169 124.820 124.820 124.808 0.012 18953 14387 1 15 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.940 0.105 18953 14388 1 15 . 1 1 169 169 ARG C C 169 177.350 177.350 174.007 3.343 18953 14389 1 15 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.454 -0.269 18953 14390 1 15 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.815 0.176 18953 14391 1 15 . 1 1 169 169 ARG H H 169 9.757 9.757 9.352 0.405 18953 14392 1 15 . 1 1 170 170 ARG N N 170 122.951 122.951 124.879 -1.928 18953 14393 1 15 . 1 1 170 170 ARG HA H 170 3.265 3.265 4.007 -0.742 18953 14394 1 15 . 1 1 170 170 ARG C C 170 174.373 174.373 175.262 -0.889 18953 14395 1 15 . 1 1 170 170 ARG CA C 170 55.170 55.170 53.440 1.730 18953 14396 1 15 . 1 1 170 170 ARG CB C 170 30.150 30.150 28.804 1.346 18953 14397 1 15 . 1 1 170 170 ARG H H 170 8.552 8.552 8.521 0.031 18953 14398 1 15 . 1 1 171 171 ILE N N 171 123.280 123.280 123.508 -0.228 18953 14399 1 15 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.649 0.153 18953 14400 1 15 . 1 1 171 171 ILE C C 171 177.088 177.088 175.490 1.598 18953 14401 1 15 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.303 0.258 18953 14402 1 15 . 1 1 171 171 ILE CB C 171 36.326 36.326 35.911 0.415 18953 14403 1 15 . 1 1 171 171 ILE H H 171 8.424 8.424 8.228 0.196 18953 14404 1 15 . 1 1 172 172 THR N N 172 117.270 117.270 122.346 -5.076 18953 14405 1 15 . 1 1 172 172 THR HA H 172 4.558 4.558 4.182 0.376 18953 14406 1 15 . 1 1 172 172 THR C C 172 177.651 177.651 173.011 4.640 18953 14407 1 15 . 1 1 172 172 THR CA C 172 60.095 60.095 60.468 -0.373 18953 14408 1 15 . 1 1 172 172 THR CB C 172 70.040 70.040 68.405 1.635 18953 14409 1 15 . 1 1 172 172 THR H H 172 7.299 7.299 7.971 -0.672 18953 14410 1 15 . 1 1 173 173 ASP N N 173 121.598 121.598 123.209 -1.611 18953 14411 1 15 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.455 -0.010 18953 14412 1 15 . 1 1 173 173 ASP C C 173 177.041 177.041 175.306 1.735 18953 14413 1 15 . 1 1 173 173 ASP CA C 173 55.010 55.010 53.836 1.174 18953 14414 1 15 . 1 1 173 173 ASP CB C 173 41.524 41.524 40.273 1.250 18953 14415 1 15 . 1 1 173 173 ASP H H 173 8.477 8.477 7.872 0.605 18953 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 161 6.326 0.695 6.307 18953 2 1 1 "Average Difference" HA 183 0.481 0.048 0.480 18953 3 1 1 "Average Difference" C 160 3.480 -1.960 2.885 18953 4 1 1 "Average Difference" CA 170 1.271 -0.343 1.227 18953 5 1 1 "Average Difference" CB 154 1.474 -0.280 1.452 18953 6 1 1 "Average Difference" HN 162 0.640 -0.001 0.642 18953 7 1 2 "Average Difference" N 161 6.293 0.786 6.263 18953 8 1 2 "Average Difference" HA 183 0.491 0.048 0.490 18953 9 1 2 "Average Difference" C 160 3.516 -1.942 2.940 18953 10 1 2 "Average Difference" CA 170 1.200 -0.348 1.152 18953 11 1 2 "Average Difference" CB 154 1.440 -0.330 1.406 18953 12 1 2 "Average Difference" HN 162 0.620 0.010 0.622 18953 13 1 3 "Average Difference" N 161 6.380 0.820 6.347 18953 14 1 3 "Average Difference" HA 183 0.459 0.030 0.460 18953 15 1 3 "Average Difference" C 160 3.436 -1.918 2.859 18953 16 1 3 "Average Difference" CA 170 1.275 -0.372 1.223 18953 17 1 3 "Average Difference" CB 154 1.479 -0.273 1.459 18953 18 1 3 "Average Difference" HN 162 0.579 0.012 0.581 18953 19 1 4 "Average Difference" N 161 6.517 0.841 6.483 18953 20 1 4 "Average Difference" HA 183 0.448 0.044 0.447 18953 21 1 4 "Average Difference" C 160 3.513 -1.999 2.899 18953 22 1 4 "Average Difference" CA 170 1.278 -0.271 1.253 18953 23 1 4 "Average Difference" CB 154 1.514 -0.302 1.489 18953 24 1 4 "Average Difference" HN 162 0.617 0.014 0.618 18953 25 1 5 "Average Difference" N 161 6.477 0.768 6.451 18953 26 1 5 "Average Difference" HA 183 0.473 0.024 0.473 18953 27 1 5 "Average Difference" C 160 3.434 -1.921 2.856 18953 28 1 5 "Average Difference" CA 170 1.235 -0.321 1.196 18953 29 1 5 "Average Difference" CB 154 1.530 -0.280 1.509 18953 30 1 5 "Average Difference" HN 162 0.619 0.004 0.621 18953 31 1 6 "Average Difference" N 161 6.388 0.745 6.365 18953 32 1 6 "Average Difference" HA 183 0.464 0.038 0.463 18953 33 1 6 "Average Difference" C 160 3.473 -1.951 2.882 18953 34 1 6 "Average Difference" CA 170 1.214 -0.346 1.167 18953 35 1 6 "Average Difference" CB 154 1.440 -0.256 1.421 18953 36 1 6 "Average Difference" HN 162 0.599 0.005 0.601 18953 37 1 7 "Average Difference" N 161 6.369 0.982 6.313 18953 38 1 7 "Average Difference" HA 183 0.489 0.044 0.488 18953 39 1 7 "Average Difference" C 160 3.441 -1.915 2.867 18953 40 1 7 "Average Difference" CA 170 1.219 -0.335 1.175 18953 41 1 7 "Average Difference" CB 154 1.486 -0.314 1.457 18953 42 1 7 "Average Difference" HN 162 0.636 -0.009 0.638 18953 43 1 8 "Average Difference" N 161 6.326 0.803 6.294 18953 44 1 8 "Average Difference" HA 183 0.490 0.040 0.490 18953 45 1 8 "Average Difference" C 160 3.489 -1.960 2.896 18953 46 1 8 "Average Difference" CA 170 1.281 -0.311 1.247 18953 47 1 8 "Average Difference" CB 154 1.455 -0.242 1.440 18953 48 1 8 "Average Difference" HN 162 0.637 0.020 0.638 18953 49 1 9 "Average Difference" N 161 6.338 0.698 6.319 18953 50 1 9 "Average Difference" HA 183 0.467 0.034 0.467 18953 51 1 9 "Average Difference" C 160 3.431 -1.933 2.843 18953 52 1 9 "Average Difference" CA 170 1.183 -0.321 1.141 18953 53 1 9 "Average Difference" CB 154 1.521 -0.334 1.488 18953 54 1 9 "Average Difference" HN 162 0.629 -0.000 0.631 18953 55 1 10 "Average Difference" N 161 6.515 0.941 6.467 18953 56 1 10 "Average Difference" HA 183 0.467 0.027 0.468 18953 57 1 10 "Average Difference" C 160 3.440 -1.916 2.866 18953 58 1 10 "Average Difference" CA 170 1.300 -0.317 1.265 18953 59 1 10 "Average Difference" CB 154 1.492 -0.307 1.465 18953 60 1 10 "Average Difference" HN 162 0.650 -0.001 0.652 18953 61 1 11 "Average Difference" N 161 6.552 0.918 6.508 18953 62 1 11 "Average Difference" HA 183 0.471 0.049 0.469 18953 63 1 11 "Average Difference" C 160 3.440 -1.939 2.850 18953 64 1 11 "Average Difference" CA 170 1.192 -0.342 1.145 18953 65 1 11 "Average Difference" CB 154 1.478 -0.263 1.460 18953 66 1 11 "Average Difference" HN 162 0.635 0.025 0.637 18953 67 1 12 "Average Difference" N 161 6.373 0.759 6.347 18953 68 1 12 "Average Difference" HA 183 0.462 0.048 0.461 18953 69 1 12 "Average Difference" C 160 3.496 -1.923 2.929 18953 70 1 12 "Average Difference" CA 170 1.246 -0.356 1.197 18953 71 1 12 "Average Difference" CB 154 1.533 -0.305 1.507 18953 72 1 12 "Average Difference" HN 162 0.625 0.013 0.626 18953 73 1 13 "Average Difference" N 161 6.347 0.945 6.296 18953 74 1 13 "Average Difference" HA 183 0.460 0.051 0.458 18953 75 1 13 "Average Difference" C 160 3.447 -1.908 2.880 18953 76 1 13 "Average Difference" CA 170 1.228 -0.335 1.185 18953 77 1 13 "Average Difference" CB 154 1.475 -0.342 1.439 18953 78 1 13 "Average Difference" HN 162 0.618 0.015 0.620 18953 79 1 14 "Average Difference" N 161 6.361 0.647 6.347 18953 80 1 14 "Average Difference" HA 183 0.463 0.037 0.463 18953 81 1 14 "Average Difference" C 160 3.464 -1.934 2.883 18953 82 1 14 "Average Difference" CA 170 1.195 -0.317 1.156 18953 83 1 14 "Average Difference" CB 154 1.483 -0.287 1.460 18953 84 1 14 "Average Difference" HN 162 0.616 0.019 0.618 18953 85 1 15 "Average Difference" N 161 6.365 0.772 6.337 18953 86 1 15 "Average Difference" HA 183 0.476 0.049 0.475 18953 87 1 15 "Average Difference" C 160 3.401 -1.879 2.844 18953 88 1 15 "Average Difference" CA 170 1.232 -0.335 1.189 18953 89 1 15 "Average Difference" CB 154 1.393 -0.306 1.364 18953 90 1 15 "Average Difference" HN 162 0.605 0.006 0.607 18953 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 18953 _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 GLY C C 2 182.782 182.782 173.027 9.755 18953 2 1 . 1 1 2 2 GLY CA C 2 43.547 43.547 45.138 -1.591 18953 3 1 . 1 1 3 3 LYS N N 3 120.153 120.153 120.344 -0.191 18953 4 1 . 1 1 3 3 LYS HA H 3 5.015 5.015 4.531 0.484 18953 5 1 . 1 1 3 3 LYS C C 3 179.140 179.140 173.971 5.169 18953 6 1 . 1 1 3 3 LYS CA C 3 57.310 57.310 55.607 1.703 18953 7 1 . 1 1 3 3 LYS CB C 3 35.698 35.698 36.620 -0.922 18953 8 1 . 1 1 3 3 LYS H H 3 8.398 8.398 7.978 0.420 18953 9 1 . 1 1 4 4 ILE N N 4 129.769 129.769 123.214 6.555 18953 10 1 . 1 1 4 4 ILE HA H 4 4.606 4.606 4.839 -0.233 18953 11 1 . 1 1 4 4 ILE C C 4 180.618 180.618 173.419 7.199 18953 12 1 . 1 1 4 4 ILE CA C 4 58.400 58.400 58.947 -0.547 18953 13 1 . 1 1 4 4 ILE CB C 4 41.019 41.019 41.108 -0.089 18953 14 1 . 1 1 4 4 ILE H H 4 8.871 8.871 8.406 0.465 18953 15 1 . 1 1 5 5 ILE N N 5 125.103 125.103 127.745 -2.642 18953 16 1 . 1 1 5 5 ILE HA H 5 4.508 4.508 4.931 -0.423 18953 17 1 . 1 1 5 5 ILE C C 5 177.516 177.516 174.974 2.542 18953 18 1 . 1 1 5 5 ILE CA C 5 60.829 60.829 59.527 1.302 18953 19 1 . 1 1 5 5 ILE CB C 5 40.417 40.417 40.198 0.219 18953 20 1 . 1 1 5 5 ILE H H 5 8.788 8.788 8.816 -0.028 18953 21 1 . 1 1 6 6 PHE N N 6 125.558 125.558 125.869 -0.311 18953 22 1 . 1 1 6 6 PHE HA H 6 4.623 4.623 4.779 -0.155 18953 23 1 . 1 1 6 6 PHE C C 6 176.512 176.512 174.873 1.639 18953 24 1 . 1 1 6 6 PHE CA C 6 57.219 57.219 57.099 0.120 18953 25 1 . 1 1 6 6 PHE CB C 6 41.483 41.483 41.006 0.477 18953 26 1 . 1 1 6 6 PHE H H 6 8.540 8.540 9.199 -0.659 18953 27 1 . 1 1 7 7 TYR N N 7 120.647 120.647 119.825 0.822 18953 28 1 . 1 1 7 7 TYR HA H 7 5.171 5.171 5.008 0.163 18953 29 1 . 1 1 7 7 TYR C C 7 173.898 173.898 175.530 -1.632 18953 30 1 . 1 1 7 7 TYR CA C 7 57.446 57.446 57.506 -0.060 18953 31 1 . 1 1 7 7 TYR CB C 7 39.310 39.310 42.180 -2.870 18953 32 1 . 1 1 7 7 TYR H H 7 8.889 8.889 9.278 -0.389 18953 33 1 . 1 1 8 8 GLU N N 8 122.007 122.007 123.253 -1.246 18953 34 1 . 1 1 8 8 GLU HA H 8 4.181 4.181 4.183 -0.002 18953 35 1 . 1 1 8 8 GLU C C 8 174.881 174.881 176.846 -1.965 18953 36 1 . 1 1 8 8 GLU CA C 8 60.066 60.066 58.168 1.898 18953 37 1 . 1 1 8 8 GLU CB C 8 32.052 32.052 30.628 1.424 18953 38 1 . 1 1 8 8 GLU H H 8 8.756 8.756 8.617 0.139 18953 39 1 . 1 1 9 9 ASP N N 9 114.203 114.203 119.443 -5.240 18953 40 1 . 1 1 9 9 ASP HA H 9 5.222 5.222 4.639 0.583 18953 41 1 . 1 1 9 9 ASP CA C 9 52.366 52.366 53.702 -1.336 18953 42 1 . 1 1 9 9 ASP CB C 9 43.436 43.436 42.022 1.414 18953 43 1 . 1 1 9 9 ASP H H 9 7.977 7.977 8.083 -0.106 18953 44 1 . 1 1 11 11 ASN HA H 11 3.119 3.119 4.512 -1.393 18953 45 1 . 1 1 11 11 ASN CA C 11 56.660 56.660 53.686 2.974 18953 46 1 . 1 1 11 11 ASN CB C 11 35.050 35.050 37.812 -2.762 18953 47 1 . 1 1 13 13 GLY C C 13 178.281 178.281 173.660 4.621 18953 48 1 . 1 1 13 13 GLY CA C 13 44.446 44.446 44.637 -0.191 18953 49 1 . 1 1 14 14 GLY N N 14 105.348 105.348 107.801 -2.453 18953 50 1 . 1 1 14 14 GLY C C 14 176.463 176.463 174.168 2.295 18953 51 1 . 1 1 14 14 GLY CA C 14 45.111 45.111 45.096 0.015 18953 52 1 . 1 1 14 14 GLY H H 14 8.261 8.261 8.204 0.057 18953 53 1 . 1 1 15 15 ARG N N 15 119.637 119.637 124.652 -5.015 18953 54 1 . 1 1 15 15 ARG HA H 15 4.211 4.211 4.402 -0.191 18953 55 1 . 1 1 15 15 ARG C C 15 176.574 176.574 176.050 0.524 18953 56 1 . 1 1 15 15 ARG CA C 15 57.332 57.332 56.246 1.086 18953 57 1 . 1 1 15 15 ARG CB C 15 31.412 31.412 30.606 0.806 18953 58 1 . 1 1 15 15 ARG H H 15 8.579 8.579 8.361 0.218 18953 59 1 . 1 1 16 16 TYR N N 16 114.846 114.846 122.538 -7.692 18953 60 1 . 1 1 16 16 TYR HA H 16 5.858 5.858 5.136 0.722 18953 61 1 . 1 1 16 16 TYR C C 16 176.510 176.510 174.743 1.767 18953 62 1 . 1 1 16 16 TYR CA C 16 54.613 54.613 54.906 -0.293 18953 63 1 . 1 1 16 16 TYR CB C 16 42.418 42.418 40.578 1.840 18953 64 1 . 1 1 16 16 TYR H H 16 7.617 7.617 8.041 -0.424 18953 65 1 . 1 1 17 17 HIS N N 17 118.443 118.443 120.448 -2.005 18953 66 1 . 1 1 17 17 HIS HA H 17 4.810 4.810 4.813 -0.004 18953 67 1 . 1 1 17 17 HIS C C 17 177.970 177.970 173.589 4.381 18953 68 1 . 1 1 17 17 HIS CA C 17 55.562 55.562 55.409 0.153 18953 69 1 . 1 1 17 17 HIS CB C 17 33.604 33.604 33.363 0.241 18953 70 1 . 1 1 17 17 HIS H H 17 8.785 8.785 8.665 0.120 18953 71 1 . 1 1 18 18 GLU N N 18 126.223 126.223 126.352 -0.129 18953 72 1 . 1 1 18 18 GLU HA H 18 4.838 4.838 4.579 0.259 18953 73 1 . 1 1 18 18 GLU C C 18 176.504 176.504 175.145 1.359 18953 74 1 . 1 1 18 18 GLU CA C 18 55.099 55.099 55.702 -0.603 18953 75 1 . 1 1 18 18 GLU CB C 18 32.122 32.122 30.292 1.830 18953 76 1 . 1 1 18 18 GLU H H 18 8.529 8.529 8.573 -0.044 18953 77 1 . 1 1 19 19 CYS N N 19 121.383 121.383 123.875 -2.492 18953 78 1 . 1 1 19 19 CYS HA H 19 4.657 4.657 4.680 -0.023 18953 79 1 . 1 1 19 19 CYS C C 19 178.018 178.018 174.137 3.881 18953 80 1 . 1 1 19 19 CYS CA C 19 58.777 58.777 57.888 0.889 18953 81 1 . 1 1 19 19 CYS CB C 19 29.812 29.812 30.847 -1.035 18953 82 1 . 1 1 19 19 CYS H H 19 9.163 9.163 9.081 0.082 18953 83 1 . 1 1 20 20 MET N N 20 126.877 126.877 120.338 6.539 18953 84 1 . 1 1 20 20 MET HA H 20 5.295 5.295 4.724 0.571 18953 85 1 . 1 1 20 20 MET C C 20 176.776 176.776 174.763 2.013 18953 86 1 . 1 1 20 20 MET CA C 20 55.260 55.260 55.606 -0.346 18953 87 1 . 1 1 20 20 MET CB C 20 33.370 33.370 33.568 -0.198 18953 88 1 . 1 1 20 20 MET H H 20 8.995 8.995 8.729 0.266 18953 89 1 . 1 1 21 21 SER N N 21 179.042 179.042 114.890 64.152 18953 90 1 . 1 1 21 21 SER HA H 21 4.658 4.658 4.771 -0.113 18953 91 1 . 1 1 21 21 SER C C 21 179.042 179.042 173.337 5.705 18953 92 1 . 1 1 21 21 SER CA C 21 57.586 57.586 57.086 0.500 18953 93 1 . 1 1 21 21 SER CB C 21 65.782 65.782 65.522 0.259 18953 94 1 . 1 1 21 21 SER H H 21 7.990 7.990 7.700 0.290 18953 95 1 . 1 1 22 22 ASP N N 22 117.203 117.203 121.340 -4.137 18953 96 1 . 1 1 22 22 ASP HA H 22 4.951 4.951 4.610 0.341 18953 97 1 . 1 1 22 22 ASP C C 22 173.564 173.564 175.573 -2.009 18953 98 1 . 1 1 22 22 ASP CA C 22 55.471 55.471 54.791 0.680 18953 99 1 . 1 1 22 22 ASP CB C 22 41.819 41.819 40.933 0.886 18953 100 1 . 1 1 22 22 ASP H H 22 8.317 8.317 8.512 -0.195 18953 101 1 . 1 1 23 23 CYS N N 23 121.308 121.308 121.071 0.237 18953 102 1 . 1 1 23 23 CYS HA H 23 4.791 4.791 4.751 0.040 18953 103 1 . 1 1 23 23 CYS C C 23 177.265 177.265 174.234 3.031 18953 104 1 . 1 1 23 23 CYS CA C 23 59.963 59.963 57.909 2.054 18953 105 1 . 1 1 23 23 CYS CB C 23 29.412 29.412 30.205 -0.794 18953 106 1 . 1 1 23 23 CYS H H 23 9.410 9.410 8.931 0.479 18953 107 1 . 1 1 24 24 ALA N N 24 131.693 131.693 129.460 2.233 18953 108 1 . 1 1 24 24 ALA HA H 24 3.522 3.522 3.871 -0.349 18953 109 1 . 1 1 24 24 ALA C C 24 175.455 175.455 175.691 -0.236 18953 110 1 . 1 1 24 24 ALA CA C 24 54.614 54.614 52.499 2.115 18953 111 1 . 1 1 24 24 ALA CB C 24 19.175 19.175 18.989 0.186 18953 112 1 . 1 1 24 24 ALA H H 24 9.210 9.210 8.748 0.462 18953 113 1 . 1 1 25 25 ASP N N 25 113.873 113.873 117.500 -3.627 18953 114 1 . 1 1 25 25 ASP HA H 25 4.895 4.895 4.787 0.108 18953 115 1 . 1 1 25 25 ASP C C 25 174.970 174.970 175.046 -0.076 18953 116 1 . 1 1 25 25 ASP CA C 25 53.920 53.920 53.268 0.652 18953 117 1 . 1 1 25 25 ASP CB C 25 40.564 40.564 40.951 -0.387 18953 118 1 . 1 1 25 25 ASP H H 25 7.524 7.524 7.521 0.003 18953 119 1 . 1 1 26 26 LEU N N 26 127.166 127.166 122.695 4.471 18953 120 1 . 1 1 26 26 LEU HA H 26 3.999 3.999 4.268 -0.269 18953 121 1 . 1 1 26 26 LEU C C 26 173.727 173.727 177.160 -3.433 18953 122 1 . 1 1 26 26 LEU CA C 26 56.151 56.151 54.796 1.355 18953 123 1 . 1 1 26 26 LEU CB C 26 42.359 42.359 42.706 -0.347 18953 124 1 . 1 1 26 26 LEU H H 26 8.495 8.495 8.803 -0.308 18953 125 1 . 1 1 27 27 HIS N N 27 118.732 118.732 119.751 -1.019 18953 126 1 . 1 1 27 27 HIS HA H 27 4.537 4.537 4.296 0.241 18953 127 1 . 1 1 27 27 HIS C C 27 175.667 175.667 175.827 -0.160 18953 128 1 . 1 1 27 27 HIS CA C 27 57.793 57.793 59.180 -1.387 18953 129 1 . 1 1 27 27 HIS CB C 27 28.038 28.038 29.374 -1.336 18953 130 1 . 1 1 27 27 HIS H H 27 8.446 8.446 7.873 0.573 18953 131 1 . 1 1 28 28 SER N N 28 112.598 112.598 113.373 -0.775 18953 132 1 . 1 1 28 28 SER HA H 28 3.792 3.792 4.149 -0.357 18953 133 1 . 1 1 28 28 SER C C 28 177.551 177.551 175.598 1.953 18953 134 1 . 1 1 28 28 SER CA C 28 60.406 60.406 60.673 -0.267 18953 135 1 . 1 1 28 28 SER CB C 28 62.814 62.814 62.832 -0.018 18953 136 1 . 1 1 28 28 SER H H 28 7.237 7.237 8.062 -0.825 18953 137 1 . 1 1 29 29 TYR N N 29 118.301 118.301 118.760 -0.459 18953 138 1 . 1 1 29 29 TYR HA H 29 4.302 4.302 4.116 0.186 18953 139 1 . 1 1 29 29 TYR C C 29 176.283 176.283 175.651 0.632 18953 140 1 . 1 1 29 29 TYR CA C 29 58.668 58.668 60.463 -1.795 18953 141 1 . 1 1 29 29 TYR CB C 29 39.471 39.471 39.015 0.456 18953 142 1 . 1 1 29 29 TYR H H 29 7.224 7.224 7.402 -0.178 18953 143 1 . 1 1 30 30 PHE N N 30 112.713 112.713 111.223 1.490 18953 144 1 . 1 1 30 30 PHE HA H 30 4.682 4.682 4.719 -0.037 18953 145 1 . 1 1 30 30 PHE C C 30 177.785 177.785 174.080 3.705 18953 146 1 . 1 1 30 30 PHE CA C 30 55.924 55.924 55.948 -0.024 18953 147 1 . 1 1 30 30 PHE CB C 30 39.744 39.744 40.143 -0.399 18953 148 1 . 1 1 30 30 PHE H H 30 7.173 7.173 7.422 -0.249 18953 149 1 . 1 1 31 31 ASN N N 31 115.959 115.959 119.271 -3.312 18953 150 1 . 1 1 31 31 ASN HA H 31 4.710 4.710 4.357 0.353 18953 151 1 . 1 1 31 31 ASN C C 31 176.537 176.537 174.492 2.045 18953 152 1 . 1 1 31 31 ASN CA C 31 53.551 53.551 53.155 0.396 18953 153 1 . 1 1 31 31 ASN CB C 31 40.056 40.056 39.165 0.891 18953 154 1 . 1 1 31 31 ASN H H 31 8.918 8.918 8.675 0.243 18953 155 1 . 1 1 32 32 ARG N N 32 117.693 117.693 116.878 0.815 18953 156 1 . 1 1 32 32 ARG HA H 32 4.627 4.627 4.599 0.028 18953 157 1 . 1 1 32 32 ARG C C 32 178.177 178.177 173.612 4.565 18953 158 1 . 1 1 32 32 ARG CA C 32 55.156 55.156 55.719 -0.563 18953 159 1 . 1 1 32 32 ARG CB C 32 33.091 33.091 33.367 -0.276 18953 160 1 . 1 1 32 32 ARG H H 32 7.893 7.893 7.832 0.061 18953 161 1 . 1 1 33 33 CYS N N 33 119.494 119.494 121.430 -1.936 18953 162 1 . 1 1 33 33 CYS HA H 33 4.952 4.952 4.657 0.295 18953 163 1 . 1 1 33 33 CYS C C 33 176.223 176.223 173.827 2.396 18953 164 1 . 1 1 33 33 CYS CA C 33 58.307 58.307 57.913 0.394 18953 165 1 . 1 1 33 33 CYS CB C 33 28.751 28.751 29.787 -1.036 18953 166 1 . 1 1 33 33 CYS H H 33 8.161 8.161 8.726 -0.565 18953 167 1 . 1 1 34 34 HIS N N 34 126.786 126.786 124.739 2.047 18953 168 1 . 1 1 34 34 HIS HA H 34 5.022 5.022 4.477 0.545 18953 169 1 . 1 1 34 34 HIS C C 34 176.224 176.224 174.357 1.867 18953 170 1 . 1 1 34 34 HIS CA C 34 56.698 56.698 56.592 0.107 18953 171 1 . 1 1 34 34 HIS CB C 34 33.309 33.309 31.575 1.734 18953 172 1 . 1 1 34 34 HIS H H 34 8.325 8.325 8.523 -0.198 18953 173 1 . 1 1 35 35 SER N N 35 113.132 113.132 114.176 -1.044 18953 174 1 . 1 1 35 35 SER HA H 35 5.264 5.264 5.192 0.072 18953 175 1 . 1 1 35 35 SER C C 35 179.093 179.093 172.538 6.555 18953 176 1 . 1 1 35 35 SER CA C 35 59.951 59.951 57.232 2.719 18953 177 1 . 1 1 35 35 SER CB C 35 65.754 65.754 65.366 0.388 18953 178 1 . 1 1 35 35 SER H H 35 8.489 8.489 8.059 0.430 18953 179 1 . 1 1 36 36 ILE N N 36 119.607 119.607 122.968 -3.361 18953 180 1 . 1 1 36 36 ILE HA H 36 5.369 5.369 4.661 0.708 18953 181 1 . 1 1 36 36 ILE C C 36 176.313 176.313 173.607 2.706 18953 182 1 . 1 1 36 36 ILE CA C 36 60.494 60.494 60.254 0.240 18953 183 1 . 1 1 36 36 ILE CB C 36 45.770 45.770 42.555 3.215 18953 184 1 . 1 1 36 36 ILE H H 36 8.579 8.579 8.868 -0.289 18953 185 1 . 1 1 37 37 ARG N N 37 126.328 126.328 125.497 0.831 18953 186 1 . 1 1 37 37 ARG HA H 37 4.959 4.959 4.866 0.093 18953 187 1 . 1 1 37 37 ARG C C 37 176.785 176.785 174.092 2.693 18953 188 1 . 1 1 37 37 ARG CA C 37 56.114 56.114 55.195 0.919 18953 189 1 . 1 1 37 37 ARG CB C 37 34.334 34.334 33.895 0.439 18953 190 1 . 1 1 37 37 ARG H H 37 9.342 9.342 8.866 0.476 18953 191 1 . 1 1 38 38 VAL N N 38 125.466 125.466 127.434 -1.968 18953 192 1 . 1 1 38 38 VAL HA H 38 4.324 4.324 4.538 -0.214 18953 193 1 . 1 1 38 38 VAL C C 38 175.196 175.196 175.751 -0.555 18953 194 1 . 1 1 38 38 VAL CA C 38 62.436 62.436 61.722 0.714 18953 195 1 . 1 1 38 38 VAL CB C 38 31.674 31.674 32.353 -0.679 18953 196 1 . 1 1 38 38 VAL H H 38 9.122 9.122 9.021 0.101 18953 197 1 . 1 1 39 39 GLU N N 39 128.582 128.582 128.594 -0.012 18953 198 1 . 1 1 39 39 GLU HA H 39 4.084 4.084 4.234 -0.150 18953 199 1 . 1 1 39 39 GLU C C 39 175.200 175.200 176.078 -0.878 18953 200 1 . 1 1 39 39 GLU CA C 39 58.498 58.498 57.867 0.631 18953 201 1 . 1 1 39 39 GLU CB C 39 31.830 31.830 30.866 0.964 18953 202 1 . 1 1 39 39 GLU H H 39 8.258 8.258 8.630 -0.372 18953 203 1 . 1 1 40 40 SER N N 40 108.412 108.412 110.683 -2.271 18953 204 1 . 1 1 40 40 SER HA H 40 4.343 4.343 4.517 -0.174 18953 205 1 . 1 1 40 40 SER C C 40 178.000 178.000 173.130 4.870 18953 206 1 . 1 1 40 40 SER CA C 40 57.623 57.623 58.108 -0.485 18953 207 1 . 1 1 40 40 SER CB C 40 64.539 64.539 64.594 -0.055 18953 208 1 . 1 1 40 40 SER H H 40 7.753 7.753 7.409 0.344 18953 209 1 . 1 1 41 41 GLY N N 41 109.451 109.451 112.216 -2.765 18953 210 1 . 1 1 41 41 GLY C C 41 179.855 179.855 172.606 7.249 18953 211 1 . 1 1 41 41 GLY CA C 41 44.884 44.884 44.930 -0.046 18953 212 1 . 1 1 41 41 GLY H H 41 8.714 8.714 8.539 0.175 18953 213 1 . 1 1 42 42 CYS N N 42 112.295 112.295 119.188 -6.893 18953 214 1 . 1 1 42 42 CYS HA H 42 4.934 4.934 5.146 -0.212 18953 215 1 . 1 1 42 42 CYS C C 42 178.663 178.663 173.186 5.477 18953 216 1 . 1 1 42 42 CYS CA C 42 56.877 56.877 58.081 -1.204 18953 217 1 . 1 1 42 42 CYS CB C 42 31.679 31.679 31.530 0.149 18953 218 1 . 1 1 42 42 CYS H H 42 7.794 7.794 8.469 -0.675 18953 219 1 . 1 1 43 43 PHE N N 43 118.841 118.841 121.336 -2.495 18953 220 1 . 1 1 43 43 PHE HA H 43 5.124 5.124 4.735 0.389 18953 221 1 . 1 1 43 43 PHE C C 43 178.045 178.045 172.904 5.141 18953 222 1 . 1 1 43 43 PHE CA C 43 56.490 56.490 57.293 -0.803 18953 223 1 . 1 1 43 43 PHE CB C 43 44.957 44.957 43.682 1.275 18953 224 1 . 1 1 43 43 PHE H H 43 8.509 8.509 8.652 -0.143 18953 225 1 . 1 1 44 44 MET N N 44 119.494 119.494 125.274 -5.780 18953 226 1 . 1 1 44 44 MET HA H 44 5.442 5.442 4.964 0.478 18953 227 1 . 1 1 44 44 MET C C 44 174.336 174.336 174.092 0.244 18953 228 1 . 1 1 44 44 MET CA C 44 52.992 52.992 53.180 -0.188 18953 229 1 . 1 1 44 44 MET CB C 44 33.835 33.835 34.772 -0.936 18953 230 1 . 1 1 44 44 MET H H 44 9.110 9.110 8.403 0.707 18953 231 1 . 1 1 45 45 VAL N N 45 117.666 117.666 122.170 -4.504 18953 232 1 . 1 1 45 45 VAL HA H 45 5.387 5.387 4.895 0.492 18953 233 1 . 1 1 45 45 VAL C C 45 177.844 177.844 173.764 4.080 18953 234 1 . 1 1 45 45 VAL CA C 45 59.633 59.633 59.664 -0.031 18953 235 1 . 1 1 45 45 VAL CB C 45 34.280 34.280 33.971 0.309 18953 236 1 . 1 1 45 45 VAL H H 45 9.345 9.345 8.756 0.589 18953 237 1 . 1 1 46 46 TYR N N 46 117.876 117.876 123.407 -5.531 18953 238 1 . 1 1 46 46 TYR HA H 46 6.005 6.005 5.215 0.790 18953 239 1 . 1 1 46 46 TYR C C 46 173.152 173.152 175.579 -2.427 18953 240 1 . 1 1 46 46 TYR CA C 46 56.683 56.683 57.300 -0.617 18953 241 1 . 1 1 46 46 TYR CB C 46 41.025 41.025 42.117 -1.092 18953 242 1 . 1 1 46 46 TYR H H 46 8.145 8.145 9.362 -1.217 18953 243 1 . 1 1 47 47 ASP N N 47 119.783 119.783 122.600 -2.817 18953 244 1 . 1 1 47 47 ASP HA H 47 4.885 4.885 4.699 0.186 18953 245 1 . 1 1 47 47 ASP C C 47 176.040 176.040 175.950 0.090 18953 246 1 . 1 1 47 47 ASP CA C 47 53.826 53.826 54.957 -1.131 18953 247 1 . 1 1 47 47 ASP CB C 47 41.067 41.067 41.844 -0.776 18953 248 1 . 1 1 47 47 ASP H H 47 8.690 8.690 8.752 -0.062 18953 249 1 . 1 1 48 48 ARG N N 48 116.008 116.008 117.186 -1.178 18953 250 1 . 1 1 48 48 ARG HA H 48 4.738 4.738 4.692 0.046 18953 251 1 . 1 1 48 48 ARG C C 48 175.495 175.495 175.158 0.337 18953 252 1 . 1 1 48 48 ARG CA C 48 54.345 54.345 54.207 0.138 18953 253 1 . 1 1 48 48 ARG CB C 48 34.662 34.662 34.034 0.628 18953 254 1 . 1 1 48 48 ARG H H 48 7.627 7.627 8.063 -0.436 18953 255 1 . 1 1 49 49 THR N N 49 110.526 110.526 114.115 -3.589 18953 256 1 . 1 1 49 49 THR HA H 49 3.790 3.790 4.183 -0.393 18953 257 1 . 1 1 49 49 THR C C 49 176.951 176.951 174.623 2.328 18953 258 1 . 1 1 49 49 THR CA C 49 62.112 62.112 62.735 -0.623 18953 259 1 . 1 1 49 49 THR CB C 49 70.189 70.189 69.209 0.980 18953 260 1 . 1 1 49 49 THR H H 49 8.173 8.173 8.306 -0.133 18953 261 1 . 1 1 50 50 ASN N N 50 112.515 112.515 118.801 -6.286 18953 262 1 . 1 1 50 50 ASN HA H 50 3.249 3.249 3.545 -0.296 18953 263 1 . 1 1 50 50 ASN C C 50 178.172 178.172 173.444 4.728 18953 264 1 . 1 1 50 50 ASN CA C 50 54.377 54.377 53.573 0.804 18953 265 1 . 1 1 50 50 ASN CB C 50 36.907 36.907 37.044 -0.137 18953 266 1 . 1 1 50 50 ASN H H 50 9.654 9.654 8.189 1.465 18953 267 1 . 1 1 51 51 PHE N N 51 110.557 110.557 109.515 1.042 18953 268 1 . 1 1 51 51 PHE HA H 51 2.650 2.650 2.710 -0.060 18953 269 1 . 1 1 51 51 PHE C C 51 176.292 176.292 174.155 2.137 18953 270 1 . 1 1 51 51 PHE CA C 51 55.668 55.668 57.981 -2.313 18953 271 1 . 1 1 51 51 PHE CB C 51 35.932 35.932 35.214 0.718 18953 272 1 . 1 1 51 51 PHE H H 51 7.568 7.568 7.447 0.121 18953 273 1 . 1 1 52 52 MET N N 52 117.547 117.547 117.016 0.531 18953 274 1 . 1 1 52 52 MET HA H 52 4.859 4.859 4.949 -0.090 18953 275 1 . 1 1 52 52 MET C C 52 177.399 177.399 175.234 2.165 18953 276 1 . 1 1 52 52 MET CA C 52 53.946 53.946 54.717 -0.771 18953 277 1 . 1 1 52 52 MET CB C 52 35.335 35.335 37.137 -1.802 18953 278 1 . 1 1 52 52 MET H H 52 6.355 6.355 7.509 -1.154 18953 279 1 . 1 1 53 53 GLY N N 53 103.445 103.445 106.889 -3.444 18953 280 1 . 1 1 53 53 GLY C C 53 175.327 175.327 174.023 1.304 18953 281 1 . 1 1 53 53 GLY CA C 53 44.583 44.583 44.726 -0.143 18953 282 1 . 1 1 53 53 GLY H H 53 8.256 8.256 8.588 -0.332 18953 283 1 . 1 1 54 54 ARG N N 54 124.195 124.195 122.568 1.627 18953 284 1 . 1 1 54 54 ARG HA H 54 4.162 4.162 4.020 0.142 18953 285 1 . 1 1 54 54 ARG C C 54 177.235 177.235 175.794 1.441 18953 286 1 . 1 1 54 54 ARG CA C 54 57.200 57.200 57.216 -0.016 18953 287 1 . 1 1 54 54 ARG CB C 54 31.215 31.215 30.269 0.946 18953 288 1 . 1 1 54 54 ARG H H 54 9.034 9.034 8.594 0.440 18953 289 1 . 1 1 55 55 GLN N N 55 118.867 118.867 122.517 -3.650 18953 290 1 . 1 1 55 55 GLN HA H 55 5.019 5.019 4.799 0.220 18953 291 1 . 1 1 55 55 GLN C C 55 176.166 176.166 174.722 1.444 18953 292 1 . 1 1 55 55 GLN CA C 55 53.114 53.114 54.401 -1.287 18953 293 1 . 1 1 55 55 GLN CB C 55 31.471 31.471 30.641 0.830 18953 294 1 . 1 1 55 55 GLN H H 55 7.657 7.657 8.258 -0.601 18953 295 1 . 1 1 56 56 TYR N N 56 117.323 117.323 122.027 -4.704 18953 296 1 . 1 1 56 56 TYR HA H 56 4.450 4.450 4.719 -0.269 18953 297 1 . 1 1 56 56 TYR C C 56 177.276 177.276 174.141 3.135 18953 298 1 . 1 1 56 56 TYR CA C 56 57.213 57.213 56.981 0.232 18953 299 1 . 1 1 56 56 TYR CB C 56 41.560 41.560 42.288 -0.728 18953 300 1 . 1 1 56 56 TYR H H 56 8.704 8.704 8.841 -0.137 18953 301 1 . 1 1 57 57 PHE N N 57 125.557 125.557 123.773 1.784 18953 302 1 . 1 1 57 57 PHE HA H 57 5.217 5.217 4.939 0.278 18953 303 1 . 1 1 57 57 PHE C C 57 176.412 176.412 174.198 2.214 18953 304 1 . 1 1 57 57 PHE CA C 57 58.371 58.371 56.743 1.628 18953 305 1 . 1 1 57 57 PHE CB C 57 40.989 40.989 39.913 1.076 18953 306 1 . 1 1 57 57 PHE H H 57 8.600 8.600 8.814 -0.214 18953 307 1 . 1 1 58 58 LEU N N 58 129.141 129.141 128.258 0.883 18953 308 1 . 1 1 58 58 LEU HA H 58 4.355 4.355 4.531 -0.176 18953 309 1 . 1 1 58 58 LEU C C 58 177.356 177.356 175.469 1.887 18953 310 1 . 1 1 58 58 LEU CA C 58 53.850 53.850 53.447 0.403 18953 311 1 . 1 1 58 58 LEU CB C 58 44.886 44.886 43.730 1.156 18953 312 1 . 1 1 58 58 LEU H H 58 8.969 8.969 8.583 0.386 18953 313 1 . 1 1 59 59 ARG N N 59 118.569 118.569 122.703 -4.134 18953 314 1 . 1 1 59 59 ARG HA H 59 4.563 4.563 4.659 -0.096 18953 315 1 . 1 1 59 59 ARG C C 59 175.341 175.341 175.768 -0.427 18953 316 1 . 1 1 59 59 ARG CA C 59 53.734 53.734 54.154 -0.420 18953 317 1 . 1 1 59 59 ARG CB C 59 32.396 32.396 32.444 -0.048 18953 318 1 . 1 1 59 59 ARG H H 59 7.107 7.107 8.304 -1.197 18953 319 1 . 1 1 60 60 ARG N N 60 121.635 121.635 122.522 -0.887 18953 320 1 . 1 1 60 60 ARG HA H 60 3.965 3.965 3.918 0.047 18953 321 1 . 1 1 60 60 ARG C C 60 175.525 175.525 175.529 -0.004 18953 322 1 . 1 1 60 60 ARG CA C 60 57.954 57.954 57.704 0.250 18953 323 1 . 1 1 60 60 ARG CB C 60 30.890 30.890 29.711 1.179 18953 324 1 . 1 1 60 60 ARG H H 60 8.258 8.258 8.085 0.173 18953 325 1 . 1 1 61 61 GLY N N 61 112.955 112.955 114.084 -1.129 18953 326 1 . 1 1 61 61 GLY C C 61 180.518 180.518 171.550 8.968 18953 327 1 . 1 1 61 61 GLY CA C 61 44.678 44.678 44.765 -0.087 18953 328 1 . 1 1 61 61 GLY H H 61 8.706 8.706 8.077 0.629 18953 329 1 . 1 1 62 62 GLU N N 62 117.563 117.563 119.836 -2.273 18953 330 1 . 1 1 62 62 GLU HA H 62 4.549 4.549 4.574 -0.025 18953 331 1 . 1 1 62 62 GLU C C 62 176.249 176.249 175.226 1.023 18953 332 1 . 1 1 62 62 GLU CA C 62 55.813 55.813 55.019 0.794 18953 333 1 . 1 1 62 62 GLU CB C 62 32.844 32.844 31.560 1.284 18953 334 1 . 1 1 62 62 GLU H H 62 8.161 8.161 8.335 -0.174 18953 335 1 . 1 1 63 63 TYR N N 63 119.057 119.057 125.556 -6.499 18953 336 1 . 1 1 63 63 TYR HA H 63 5.176 5.176 4.945 0.231 18953 337 1 . 1 1 63 63 TYR CA C 63 55.273 55.273 56.100 -0.827 18953 338 1 . 1 1 63 63 TYR CB C 63 38.048 38.048 39.415 -1.367 18953 339 1 . 1 1 63 63 TYR H H 63 8.827 8.827 8.841 -0.014 18953 340 1 . 1 1 64 64 PRO HA H 64 3.684 3.684 4.025 -0.341 18953 341 1 . 1 1 64 64 PRO CA C 64 64.970 64.970 63.844 1.126 18953 342 1 . 1 1 64 64 PRO CB C 64 32.135 32.135 32.291 -0.156 18953 343 1 . 1 1 65 65 ASP N N 65 118.810 118.810 114.961 3.849 18953 344 1 . 1 1 65 65 ASP HA H 65 5.047 5.047 5.210 -0.163 18953 345 1 . 1 1 65 65 ASP C C 65 174.175 174.175 174.781 -0.606 18953 346 1 . 1 1 65 65 ASP CA C 65 53.574 53.574 53.435 0.139 18953 347 1 . 1 1 65 65 ASP CB C 65 39.805 39.805 43.642 -3.837 18953 348 1 . 1 1 65 65 ASP H H 65 8.600 8.600 7.661 0.939 18953 349 1 . 1 1 66 66 TYR N N 66 119.662 119.662 117.639 2.023 18953 350 1 . 1 1 66 66 TYR HA H 66 4.401 4.401 4.880 -0.479 18953 351 1 . 1 1 66 66 TYR C C 66 175.431 175.431 174.535 0.896 18953 352 1 . 1 1 66 66 TYR CA C 66 60.973 60.973 57.255 3.718 18953 353 1 . 1 1 66 66 TYR CB C 66 38.024 38.024 39.451 -1.427 18953 354 1 . 1 1 66 66 TYR H H 66 6.530 6.530 7.982 -1.452 18953 355 1 . 1 1 67 67 MET N N 67 121.502 121.502 119.282 2.220 18953 356 1 . 1 1 67 67 MET HA H 67 3.626 3.626 4.253 -0.627 18953 357 1 . 1 1 67 67 MET C C 67 172.742 172.742 177.451 -4.709 18953 358 1 . 1 1 67 67 MET CA C 67 59.998 59.998 57.282 2.716 18953 359 1 . 1 1 67 67 MET CB C 67 32.064 32.064 33.302 -1.238 18953 360 1 . 1 1 67 67 MET H H 67 8.299 8.299 7.846 0.453 18953 361 1 . 1 1 68 68 ARG N N 68 116.824 116.824 117.210 -0.386 18953 362 1 . 1 1 68 68 ARG HA H 68 4.155 4.155 4.358 -0.203 18953 363 1 . 1 1 68 68 ARG C C 68 171.982 171.982 177.068 -5.086 18953 364 1 . 1 1 68 68 ARG CA C 68 58.600 58.600 57.909 0.691 18953 365 1 . 1 1 68 68 ARG CB C 68 31.056 31.056 30.117 0.939 18953 366 1 . 1 1 68 68 ARG H H 68 6.919 6.919 8.259 -1.340 18953 367 1 . 1 1 69 69 THR N N 69 111.292 111.292 112.418 -1.126 18953 368 1 . 1 1 69 69 THR HA H 69 4.101 4.101 4.237 -0.136 18953 369 1 . 1 1 69 69 THR C C 69 174.584 174.584 174.946 -0.362 18953 370 1 . 1 1 69 69 THR CA C 69 65.512 65.512 64.374 1.138 18953 371 1 . 1 1 69 69 THR CB C 69 68.821 68.821 68.965 -0.144 18953 372 1 . 1 1 69 69 THR H H 69 8.020 8.020 8.009 0.011 18953 373 1 . 1 1 70 70 MET N N 70 117.481 117.481 118.247 -0.766 18953 374 1 . 1 1 70 70 MET HA H 70 4.496 4.496 4.573 -0.077 18953 375 1 . 1 1 70 70 MET C C 70 175.015 175.015 176.278 -1.263 18953 376 1 . 1 1 70 70 MET CA C 70 56.029 56.029 55.313 0.716 18953 377 1 . 1 1 70 70 MET CB C 70 33.013 33.013 34.226 -1.213 18953 378 1 . 1 1 70 70 MET H H 70 8.315 8.315 7.597 0.718 18953 379 1 . 1 1 71 71 GLY N N 71 108.537 108.537 108.753 -0.216 18953 380 1 . 1 1 71 71 GLY C C 71 176.534 176.534 173.511 3.023 18953 381 1 . 1 1 71 71 GLY CA C 71 47.209 47.209 45.281 1.929 18953 382 1 . 1 1 71 71 GLY H H 71 7.352 7.352 7.803 -0.451 18953 383 1 . 1 1 72 72 MET N N 72 118.363 118.363 118.201 0.162 18953 384 1 . 1 1 72 72 MET HA H 72 4.375 4.375 4.777 -0.402 18953 385 1 . 1 1 72 72 MET C C 72 176.034 176.034 175.280 0.754 18953 386 1 . 1 1 72 72 MET CA C 72 55.884 55.884 54.304 1.580 18953 387 1 . 1 1 72 72 MET CB C 72 35.756 35.756 35.538 0.218 18953 388 1 . 1 1 72 72 MET H H 72 7.888 7.888 7.543 0.345 18953 389 1 . 1 1 73 73 ASN N N 73 119.052 119.052 122.162 -3.110 18953 390 1 . 1 1 73 73 ASN HA H 73 4.721 4.721 4.837 -0.116 18953 391 1 . 1 1 73 73 ASN C C 73 177.307 177.307 174.091 3.216 18953 392 1 . 1 1 73 73 ASN CA C 73 53.866 53.866 52.859 1.007 18953 393 1 . 1 1 73 73 ASN CB C 73 39.872 39.872 38.037 1.835 18953 394 1 . 1 1 73 73 ASN H H 73 8.956 8.956 8.816 0.140 18953 395 1 . 1 1 74 74 ASP N N 74 118.536 118.536 116.897 1.639 18953 396 1 . 1 1 74 74 ASP HA H 74 4.876 4.876 4.654 0.222 18953 397 1 . 1 1 74 74 ASP C C 74 177.595 177.595 174.399 3.196 18953 398 1 . 1 1 74 74 ASP CA C 74 52.546 52.546 53.672 -1.126 18953 399 1 . 1 1 74 74 ASP CB C 74 44.043 44.043 41.451 2.593 18953 400 1 . 1 1 74 74 ASP H H 74 7.831 7.831 7.687 0.144 18953 401 1 . 1 1 75 75 CYS N N 75 116.378 116.378 116.696 -0.318 18953 402 1 . 1 1 75 75 CYS HA H 75 4.661 4.661 5.143 -0.482 18953 403 1 . 1 1 75 75 CYS C C 75 177.301 177.301 175.343 1.958 18953 404 1 . 1 1 75 75 CYS CA C 75 58.072 58.072 56.717 1.355 18953 405 1 . 1 1 75 75 CYS CB C 75 29.613 29.613 30.599 -0.986 18953 406 1 . 1 1 75 75 CYS H H 75 8.527 8.527 8.485 0.042 18953 407 1 . 1 1 76 76 VAL N N 76 116.516 116.516 117.629 -1.113 18953 408 1 . 1 1 76 76 VAL HA H 76 3.910 3.910 4.191 -0.281 18953 409 1 . 1 1 76 76 VAL C C 76 175.906 175.906 175.901 0.005 18953 410 1 . 1 1 76 76 VAL CA C 76 63.823 63.823 63.130 0.693 18953 411 1 . 1 1 76 76 VAL CB C 76 32.705 32.705 32.536 0.169 18953 412 1 . 1 1 76 76 VAL H H 76 7.296 7.296 8.366 -1.070 18953 413 1 . 1 1 77 77 ARG N N 77 120.435 120.435 121.872 -1.437 18953 414 1 . 1 1 77 77 ARG HA H 77 4.380 4.380 4.486 -0.106 18953 415 1 . 1 1 77 77 ARG C C 77 175.519 175.519 176.114 -0.595 18953 416 1 . 1 1 77 77 ARG CA C 77 55.408 55.408 56.228 -0.819 18953 417 1 . 1 1 77 77 ARG CB C 77 34.212 34.212 32.122 2.090 18953 418 1 . 1 1 77 77 ARG H H 77 8.923 8.923 8.733 0.190 18953 419 1 . 1 1 78 78 SER N N 78 110.315 110.315 113.727 -3.412 18953 420 1 . 1 1 78 78 SER HA H 78 4.533 4.533 5.372 -0.839 18953 421 1 . 1 1 78 78 SER C C 78 177.603 177.603 172.620 4.983 18953 422 1 . 1 1 78 78 SER CA C 78 59.512 59.512 56.965 2.547 18953 423 1 . 1 1 78 78 SER CB C 78 65.883 65.883 66.208 -0.325 18953 424 1 . 1 1 78 78 SER H H 78 8.100 8.100 8.098 0.002 18953 425 1 . 1 1 79 79 CYS N N 79 112.901 112.901 117.155 -4.254 18953 426 1 . 1 1 79 79 CYS HA H 79 6.317 6.317 5.552 0.765 18953 427 1 . 1 1 79 79 CYS C C 79 179.601 179.601 172.579 7.022 18953 428 1 . 1 1 79 79 CYS CA C 79 56.479 56.479 57.788 -1.309 18953 429 1 . 1 1 79 79 CYS CB C 79 32.350 32.350 32.121 0.229 18953 430 1 . 1 1 79 79 CYS H H 79 9.438 9.438 9.286 0.152 18953 431 1 . 1 1 80 80 ARG N N 80 122.877 122.877 121.437 1.440 18953 432 1 . 1 1 80 80 ARG HA H 80 5.027 5.027 4.794 0.233 18953 433 1 . 1 1 80 80 ARG C C 80 176.888 176.888 173.768 3.120 18953 434 1 . 1 1 80 80 ARG CA C 80 54.686 54.686 54.662 0.024 18953 435 1 . 1 1 80 80 ARG CB C 80 34.686 34.686 34.579 0.107 18953 436 1 . 1 1 80 80 ARG H H 80 10.005 10.005 9.053 0.952 18953 437 1 . 1 1 81 81 MET N N 81 125.699 125.699 122.681 3.018 18953 438 1 . 1 1 81 81 MET HA H 81 3.494 3.494 4.272 -0.778 18953 439 1 . 1 1 81 81 MET C C 81 176.369 176.369 174.981 1.388 18953 440 1 . 1 1 81 81 MET CA C 81 55.587 55.587 54.988 0.600 18953 441 1 . 1 1 81 81 MET CB C 81 34.241 34.241 34.737 -0.496 18953 442 1 . 1 1 81 81 MET H H 81 9.198 9.198 8.610 0.588 18953 443 1 . 1 1 82 82 ILE N N 82 131.119 131.119 124.947 6.172 18953 444 1 . 1 1 82 82 ILE HA H 82 4.034 4.034 4.372 -0.338 18953 445 1 . 1 1 82 82 ILE CA C 82 58.850 58.850 58.326 0.524 18953 446 1 . 1 1 82 82 ILE CB C 82 38.193 38.193 37.286 0.907 18953 447 1 . 1 1 82 82 ILE H H 82 7.744 7.744 8.341 -0.597 18953 448 1 . 1 1 83 83 PRO HA H 83 4.201 4.201 4.424 -0.223 18953 449 1 . 1 1 83 83 PRO C C 83 176.434 176.434 176.913 -0.479 18953 450 1 . 1 1 83 83 PRO CA C 83 62.426 62.426 62.505 -0.079 18953 451 1 . 1 1 83 83 PRO CB C 83 32.394 32.394 32.291 0.103 18953 452 1 . 1 1 84 84 LEU N N 84 120.509 120.509 121.859 -1.350 18953 453 1 . 1 1 84 84 LEU HA H 84 4.240 4.240 4.443 -0.203 18953 454 1 . 1 1 84 84 LEU C C 84 174.899 174.899 176.174 -1.275 18953 455 1 . 1 1 84 84 LEU CA C 84 54.527 54.527 54.200 0.327 18953 456 1 . 1 1 84 84 LEU CB C 84 41.560 41.560 40.021 1.539 18953 457 1 . 1 1 84 84 LEU H H 84 7.873 7.873 8.430 -0.557 18953 458 1 . 1 1 85 85 HIS N N 85 125.245 125.245 120.750 4.495 18953 459 1 . 1 1 85 85 HIS HA H 85 4.584 4.584 4.660 -0.076 18953 460 1 . 1 1 85 85 HIS CA C 85 56.167 56.167 55.317 0.850 18953 461 1 . 1 1 85 85 HIS CB C 85 32.644 32.644 30.233 2.411 18953 462 1 . 1 1 85 85 HIS H H 85 8.600 8.600 7.890 0.710 18953 463 1 . 1 1 86 86 HIS HA H 86 4.761 4.761 4.605 0.156 18953 464 1 . 1 1 86 86 HIS C C 86 177.250 177.250 174.341 2.909 18953 465 1 . 1 1 86 86 HIS CA C 86 54.709 54.709 54.890 -0.181 18953 466 1 . 1 1 86 86 HIS CB C 86 29.670 29.670 30.317 -0.647 18953 467 1 . 1 1 86 86 HIS H H 86 8.500 8.500 8.454 0.046 18953 468 1 . 1 1 87 87 GLY N N 87 107.909 107.909 111.446 -3.537 18953 469 1 . 1 1 87 87 GLY C C 87 178.627 178.627 173.761 4.866 18953 470 1 . 1 1 87 87 GLY CA C 87 44.861 44.861 45.052 -0.191 18953 471 1 . 1 1 87 87 GLY H H 87 6.662 6.662 8.306 -1.644 18953 472 1 . 1 1 88 88 SER N N 88 116.742 116.742 115.442 1.300 18953 473 1 . 1 1 88 88 SER HA H 88 4.528 4.528 4.645 -0.117 18953 474 1 . 1 1 88 88 SER C C 88 178.527 178.527 172.842 5.685 18953 475 1 . 1 1 88 88 SER CA C 88 58.279 58.279 57.839 0.440 18953 476 1 . 1 1 88 88 SER CB C 88 64.360 64.360 65.575 -1.215 18953 477 1 . 1 1 88 88 SER H H 88 8.235 8.235 8.081 0.154 18953 478 1 . 1 1 89 89 PHE N N 89 119.985 119.985 121.008 -1.023 18953 479 1 . 1 1 89 89 PHE HA H 89 4.568 4.568 5.102 -0.534 18953 480 1 . 1 1 89 89 PHE C C 89 176.551 176.551 175.390 1.161 18953 481 1 . 1 1 89 89 PHE CA C 89 56.735 56.735 57.513 -0.778 18953 482 1 . 1 1 89 89 PHE CB C 89 41.321 41.321 41.440 -0.119 18953 483 1 . 1 1 89 89 PHE H H 89 8.478 8.478 8.690 -0.212 18953 484 1 . 1 1 90 90 LYS N N 90 122.179 122.179 127.250 -5.071 18953 485 1 . 1 1 90 90 LYS HA H 90 5.156 5.156 4.831 0.325 18953 486 1 . 1 1 90 90 LYS C C 90 177.501 177.501 173.786 3.715 18953 487 1 . 1 1 90 90 LYS CA C 90 57.812 57.812 56.547 1.265 18953 488 1 . 1 1 90 90 LYS CB C 90 35.701 35.701 36.267 -0.566 18953 489 1 . 1 1 90 90 LYS H H 90 9.130 9.130 8.791 0.339 18953 490 1 . 1 1 91 91 MET N N 91 127.037 127.037 126.171 0.866 18953 491 1 . 1 1 91 91 MET HA H 91 4.835 4.835 4.842 -0.007 18953 492 1 . 1 1 91 91 MET C C 91 179.276 179.276 173.898 5.378 18953 493 1 . 1 1 91 91 MET CA C 91 54.527 54.527 53.735 0.792 18953 494 1 . 1 1 91 91 MET CB C 91 36.920 36.920 36.308 0.612 18953 495 1 . 1 1 91 91 MET H H 91 9.202 9.202 8.892 0.310 18953 496 1 . 1 1 92 92 ARG N N 92 121.520 121.520 126.189 -4.669 18953 497 1 . 1 1 92 92 ARG HA H 92 4.868 4.868 4.545 0.323 18953 498 1 . 1 1 92 92 ARG C C 92 177.432 177.432 174.723 2.709 18953 499 1 . 1 1 92 92 ARG CA C 92 54.998 54.998 55.196 -0.198 18953 500 1 . 1 1 92 92 ARG CB C 92 34.485 34.485 31.745 2.740 18953 501 1 . 1 1 92 92 ARG H H 92 8.776 8.776 8.994 -0.218 18953 502 1 . 1 1 93 93 LEU N N 93 124.749 124.749 125.199 -0.450 18953 503 1 . 1 1 93 93 LEU HA H 93 4.275 4.275 4.477 -0.202 18953 504 1 . 1 1 93 93 LEU C C 93 176.662 176.662 175.263 1.399 18953 505 1 . 1 1 93 93 LEU CA C 93 53.696 53.696 53.755 -0.059 18953 506 1 . 1 1 93 93 LEU CB C 93 44.890 44.890 44.566 0.324 18953 507 1 . 1 1 93 93 LEU H H 93 8.841 8.841 8.748 0.093 18953 508 1 . 1 1 94 94 TYR N N 94 116.673 116.673 120.687 -4.014 18953 509 1 . 1 1 94 94 TYR HA H 94 5.424 5.424 4.952 0.472 18953 510 1 . 1 1 94 94 TYR C C 94 175.232 175.232 175.661 -0.429 18953 511 1 . 1 1 94 94 TYR CA C 94 57.061 57.061 57.090 -0.029 18953 512 1 . 1 1 94 94 TYR CB C 94 40.363 40.363 41.644 -1.281 18953 513 1 . 1 1 94 94 TYR H H 94 8.161 8.161 8.913 -0.752 18953 514 1 . 1 1 95 95 GLU N N 95 121.556 121.556 123.675 -2.119 18953 515 1 . 1 1 95 95 GLU HA H 95 4.034 4.034 4.176 -0.142 18953 516 1 . 1 1 95 95 GLU C C 95 174.587 174.587 176.290 -1.703 18953 517 1 . 1 1 95 95 GLU CA C 95 58.960 58.960 58.431 0.529 18953 518 1 . 1 1 95 95 GLU CB C 95 33.524 33.524 30.163 3.361 18953 519 1 . 1 1 95 95 GLU H H 95 8.537 8.537 8.481 0.056 18953 520 1 . 1 1 96 96 HIS N N 96 113.214 113.214 116.891 -3.677 18953 521 1 . 1 1 96 96 HIS HA H 96 5.306 5.306 4.831 0.475 18953 522 1 . 1 1 96 96 HIS C C 96 175.830 175.830 175.409 0.421 18953 523 1 . 1 1 96 96 HIS CA C 96 53.146 53.146 53.785 -0.639 18953 524 1 . 1 1 96 96 HIS CB C 96 33.364 33.364 32.327 1.037 18953 525 1 . 1 1 96 96 HIS H H 96 8.154 8.154 7.750 0.404 18953 526 1 . 1 1 97 97 SER N N 97 115.997 115.997 115.754 0.243 18953 527 1 . 1 1 97 97 SER HA H 97 4.196 4.196 4.629 -0.433 18953 528 1 . 1 1 97 97 SER C C 97 177.588 177.588 175.123 2.465 18953 529 1 . 1 1 97 97 SER CA C 97 59.180 59.180 59.970 -0.790 18953 530 1 . 1 1 97 97 SER CB C 97 63.740 63.740 63.833 -0.093 18953 531 1 . 1 1 97 97 SER H H 97 8.728 8.728 8.714 0.014 18953 532 1 . 1 1 98 98 ASP N N 98 116.560 116.560 121.091 -4.531 18953 533 1 . 1 1 98 98 ASP HA H 98 3.965 3.965 4.250 -0.285 18953 534 1 . 1 1 98 98 ASP C C 98 176.991 176.991 175.565 1.426 18953 535 1 . 1 1 98 98 ASP CA C 98 56.873 56.873 56.979 -0.106 18953 536 1 . 1 1 98 98 ASP CB C 98 39.514 39.514 39.811 -0.297 18953 537 1 . 1 1 98 98 ASP H H 98 9.714 9.714 8.750 0.964 18953 538 1 . 1 1 99 99 MET N N 99 112.109 112.109 119.869 -7.760 18953 539 1 . 1 1 99 99 MET HA H 99 2.689 2.689 4.022 -1.333 18953 540 1 . 1 1 99 99 MET C C 99 176.133 176.133 174.563 1.570 18953 541 1 . 1 1 99 99 MET CA C 99 56.596 56.596 54.365 2.231 18953 542 1 . 1 1 99 99 MET CB C 99 27.203 27.203 33.190 -5.987 18953 543 1 . 1 1 99 99 MET H H 99 8.425 8.425 7.911 0.514 18953 544 1 . 1 1 100 100 GLY N N 100 104.572 104.572 107.439 -2.867 18953 545 1 . 1 1 100 100 GLY C C 100 177.855 177.855 174.222 3.633 18953 546 1 . 1 1 100 100 GLY CA C 100 44.345 44.345 43.935 0.410 18953 547 1 . 1 1 100 100 GLY H H 100 6.670 6.670 7.516 -0.846 18953 548 1 . 1 1 101 101 GLY N N 101 105.792 105.792 107.809 -2.017 18953 549 1 . 1 1 101 101 GLY C C 101 177.525 177.525 173.930 3.595 18953 550 1 . 1 1 101 101 GLY CA C 101 45.106 45.106 44.442 0.664 18953 551 1 . 1 1 101 101 GLY H H 101 8.446 8.446 8.101 0.345 18953 552 1 . 1 1 102 102 ARG N N 102 121.688 121.688 121.699 -0.011 18953 553 1 . 1 1 102 102 ARG HA H 102 3.998 3.998 4.322 -0.324 18953 554 1 . 1 1 102 102 ARG C C 102 177.803 177.803 176.182 1.621 18953 555 1 . 1 1 102 102 ARG CA C 102 58.368 58.368 55.516 2.852 18953 556 1 . 1 1 102 102 ARG CB C 102 31.684 31.684 31.121 0.563 18953 557 1 . 1 1 102 102 ARG H H 102 8.785 8.785 8.158 0.627 18953 558 1 . 1 1 103 103 MET N N 103 122.371 122.371 123.059 -0.688 18953 559 1 . 1 1 103 103 MET HA H 103 4.754 4.754 4.791 -0.037 18953 560 1 . 1 1 103 103 MET C C 103 175.490 175.490 175.028 0.462 18953 561 1 . 1 1 103 103 MET CA C 103 53.993 53.993 54.236 -0.243 18953 562 1 . 1 1 103 103 MET CB C 103 34.860 34.860 32.978 1.882 18953 563 1 . 1 1 103 103 MET H H 103 7.905 7.905 8.389 -0.484 18953 564 1 . 1 1 104 104 MET N N 104 127.629 127.629 123.921 3.708 18953 565 1 . 1 1 104 104 MET HA H 104 4.318 4.318 4.537 -0.219 18953 566 1 . 1 1 104 104 MET C C 104 177.870 177.870 174.629 3.241 18953 567 1 . 1 1 104 104 MET CA C 104 54.080 54.080 54.015 0.065 18953 568 1 . 1 1 104 104 MET CB C 104 35.315 35.315 34.772 0.543 18953 569 1 . 1 1 104 104 MET H H 104 8.796 8.796 8.208 0.588 18953 570 1 . 1 1 105 105 GLU N N 105 123.753 123.753 122.629 1.124 18953 571 1 . 1 1 105 105 GLU HA H 105 4.846 4.846 4.859 -0.013 18953 572 1 . 1 1 105 105 GLU C C 105 176.871 176.871 175.416 1.455 18953 573 1 . 1 1 105 105 GLU CA C 105 55.688 55.688 55.278 0.410 18953 574 1 . 1 1 105 105 GLU CB C 105 33.515 33.515 31.291 2.224 18953 575 1 . 1 1 105 105 GLU H H 105 8.467 8.467 8.478 -0.011 18953 576 1 . 1 1 106 106 LEU N N 106 125.076 125.076 125.678 -0.602 18953 577 1 . 1 1 106 106 LEU HA H 106 4.888 4.888 4.878 0.010 18953 578 1 . 1 1 106 106 LEU C C 106 175.666 175.666 175.119 0.547 18953 579 1 . 1 1 106 106 LEU CA C 106 54.900 54.900 54.531 0.369 18953 580 1 . 1 1 106 106 LEU CB C 106 46.797 46.797 44.870 1.927 18953 581 1 . 1 1 106 106 LEU H H 106 8.933 8.933 8.875 0.058 18953 582 1 . 1 1 107 107 MET N N 107 120.889 120.889 123.857 -2.968 18953 583 1 . 1 1 107 107 MET HA H 107 5.152 5.152 4.919 0.233 18953 584 1 . 1 1 107 107 MET C C 107 177.873 177.873 174.587 3.286 18953 585 1 . 1 1 107 107 MET CA C 107 55.430 55.430 55.664 -0.233 18953 586 1 . 1 1 107 107 MET CB C 107 35.107 35.107 33.743 1.364 18953 587 1 . 1 1 107 107 MET H H 107 9.099 9.099 8.939 0.160 18953 588 1 . 1 1 108 108 ASP N N 108 120.261 120.261 118.181 2.080 18953 589 1 . 1 1 108 108 ASP HA H 108 4.449 4.449 4.833 -0.384 18953 590 1 . 1 1 108 108 ASP C C 108 178.998 178.998 174.652 4.346 18953 591 1 . 1 1 108 108 ASP CA C 108 51.953 51.953 52.674 -0.721 18953 592 1 . 1 1 108 108 ASP CB C 108 43.335 43.335 42.805 0.530 18953 593 1 . 1 1 108 108 ASP H H 108 7.874 7.874 7.906 -0.032 18953 594 1 . 1 1 109 109 ASP N N 109 115.191 115.191 119.011 -3.820 18953 595 1 . 1 1 109 109 ASP HA H 109 4.838 4.838 4.702 0.136 18953 596 1 . 1 1 109 109 ASP C C 109 174.768 174.768 175.578 -0.810 18953 597 1 . 1 1 109 109 ASP CA C 109 55.106 55.106 53.911 1.195 18953 598 1 . 1 1 109 109 ASP CB C 109 41.058 41.058 41.490 -0.432 18953 599 1 . 1 1 109 109 ASP H H 109 8.065 8.065 8.425 -0.360 18953 600 1 . 1 1 110 110 CYS N N 110 120.716 120.716 122.863 -2.147 18953 601 1 . 1 1 110 110 CYS HA H 110 5.139 5.139 4.949 0.190 18953 602 1 . 1 1 110 110 CYS CA C 110 55.817 55.817 55.542 0.275 18953 603 1 . 1 1 110 110 CYS CB C 110 29.730 29.730 28.846 0.884 18953 604 1 . 1 1 110 110 CYS H H 110 9.583 9.583 8.523 1.060 18953 605 1 . 1 1 111 111 PRO HA H 111 3.971 3.971 3.984 -0.013 18953 606 1 . 1 1 111 111 PRO CA C 111 64.144 64.144 64.269 -0.125 18953 607 1 . 1 1 111 111 PRO CB C 111 31.909 31.909 32.230 -0.322 18953 608 1 . 1 1 112 112 ASN N N 112 116.300 116.300 115.635 0.665 18953 609 1 . 1 1 112 112 ASN HA H 112 4.775 4.775 4.824 -0.049 18953 610 1 . 1 1 112 112 ASN C C 112 175.948 175.948 175.315 0.633 18953 611 1 . 1 1 112 112 ASN CA C 112 54.121 54.121 52.068 2.053 18953 612 1 . 1 1 112 112 ASN CB C 112 38.709 38.709 38.974 -0.265 18953 613 1 . 1 1 112 112 ASN H H 112 7.385 7.385 7.756 -0.371 18953 614 1 . 1 1 113 113 LEU N N 113 129.895 129.895 123.681 6.214 18953 615 1 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.033 0.124 18953 616 1 . 1 1 113 113 LEU C C 113 173.709 173.709 178.059 -4.350 18953 617 1 . 1 1 113 113 LEU CA C 113 58.889 58.889 57.727 1.162 18953 618 1 . 1 1 113 113 LEU CB C 113 42.451 42.451 42.284 0.167 18953 619 1 . 1 1 113 113 LEU H H 113 8.154 8.154 8.509 -0.355 18953 620 1 . 1 1 114 114 MET N N 114 120.939 120.939 118.123 2.816 18953 621 1 . 1 1 114 114 MET HA H 114 4.204 4.204 4.088 0.116 18953 622 1 . 1 1 114 114 MET C C 114 171.942 171.942 177.626 -5.684 18953 623 1 . 1 1 114 114 MET CA C 114 58.354 58.354 58.701 -0.347 18953 624 1 . 1 1 114 114 MET CB C 114 31.118 31.118 31.959 -0.841 18953 625 1 . 1 1 114 114 MET H H 114 8.421 8.421 8.164 0.257 18953 626 1 . 1 1 115 115 ASP N N 115 119.204 119.204 117.675 1.529 18953 627 1 . 1 1 115 115 ASP HA H 115 4.273 4.273 4.557 -0.284 18953 628 1 . 1 1 115 115 ASP C C 115 174.228 174.228 177.763 -3.535 18953 629 1 . 1 1 115 115 ASP CA C 115 56.737 56.737 55.966 0.771 18953 630 1 . 1 1 115 115 ASP CB C 115 40.621 40.621 40.673 -0.052 18953 631 1 . 1 1 115 115 ASP H H 115 7.695 7.695 7.784 -0.089 18953 632 1 . 1 1 116 116 ARG N N 116 116.937 116.937 118.894 -1.957 18953 633 1 . 1 1 116 116 ARG HA H 116 4.058 4.058 4.078 -0.020 18953 634 1 . 1 1 116 116 ARG C C 116 174.084 174.084 177.645 -3.561 18953 635 1 . 1 1 116 116 ARG CA C 116 57.839 57.839 58.124 -0.285 18953 636 1 . 1 1 116 116 ARG CB C 116 32.099 32.099 30.487 1.612 18953 637 1 . 1 1 116 116 ARG H H 116 7.118 7.118 7.330 -0.212 18953 638 1 . 1 1 117 117 PHE N N 117 113.914 113.914 115.192 -1.278 18953 639 1 . 1 1 117 117 PHE HA H 117 5.125 5.125 4.733 0.392 18953 640 1 . 1 1 117 117 PHE C C 117 175.681 175.681 174.917 0.764 18953 641 1 . 1 1 117 117 PHE CA C 117 57.040 57.040 56.892 0.148 18953 642 1 . 1 1 117 117 PHE CB C 117 41.881 41.881 39.214 2.667 18953 643 1 . 1 1 117 117 PHE H H 117 8.641 8.641 7.755 0.886 18953 644 1 . 1 1 118 118 ASN N N 118 117.137 117.137 116.292 0.845 18953 645 1 . 1 1 118 118 ASN HA H 118 4.846 4.846 4.559 0.287 18953 646 1 . 1 1 118 118 ASN C C 118 177.553 177.553 174.375 3.178 18953 647 1 . 1 1 118 118 ASN CA C 118 55.038 55.038 54.233 0.805 18953 648 1 . 1 1 118 118 ASN CB C 118 38.049 38.049 36.985 1.064 18953 649 1 . 1 1 118 118 ASN H H 118 8.478 8.478 7.976 0.502 18953 650 1 . 1 1 119 119 MET N N 119 114.316 114.316 115.828 -1.512 18953 651 1 . 1 1 119 119 MET HA H 119 4.386 4.386 4.707 -0.321 18953 652 1 . 1 1 119 119 MET C C 119 178.321 178.321 173.787 4.534 18953 653 1 . 1 1 119 119 MET CA C 119 55.950 55.950 54.773 1.177 18953 654 1 . 1 1 119 119 MET CB C 119 37.233 37.233 35.098 2.135 18953 655 1 . 1 1 119 119 MET H H 119 7.286 7.286 7.322 -0.036 18953 656 1 . 1 1 120 120 SER N N 120 111.310 111.310 116.442 -5.132 18953 657 1 . 1 1 120 120 SER HA H 120 4.682 4.682 4.921 -0.239 18953 658 1 . 1 1 120 120 SER C C 120 179.047 179.047 173.030 6.017 18953 659 1 . 1 1 120 120 SER CA C 120 57.435 57.435 57.737 -0.302 18953 660 1 . 1 1 120 120 SER CB C 120 65.594 65.594 64.638 0.956 18953 661 1 . 1 1 120 120 SER H H 120 8.361 8.361 8.395 -0.034 18953 662 1 . 1 1 121 121 ASP N N 121 120.422 120.422 121.722 -1.300 18953 663 1 . 1 1 121 121 ASP HA H 121 5.082 5.082 5.468 -0.386 18953 664 1 . 1 1 121 121 ASP C C 121 177.532 177.532 174.840 2.692 18953 665 1 . 1 1 121 121 ASP CA C 121 53.630 53.630 53.090 0.540 18953 666 1 . 1 1 121 121 ASP CB C 121 43.513 43.513 41.971 1.542 18953 667 1 . 1 1 121 121 ASP H H 121 6.829 6.829 7.357 -0.528 18953 668 1 . 1 1 122 122 PHE N N 122 120.611 120.611 120.711 -0.100 18953 669 1 . 1 1 122 122 PHE HA H 122 4.695 4.695 4.818 -0.123 18953 670 1 . 1 1 122 122 PHE C C 122 177.316 177.316 175.509 1.807 18953 671 1 . 1 1 122 122 PHE CA C 122 57.660 57.660 56.058 1.602 18953 672 1 . 1 1 122 122 PHE CB C 122 40.871 40.871 40.325 0.546 18953 673 1 . 1 1 122 122 PHE H H 122 8.376 8.376 8.342 0.034 18953 674 1 . 1 1 123 123 HIS N N 123 116.193 116.193 119.211 -3.018 18953 675 1 . 1 1 123 123 HIS HA H 123 4.765 4.765 5.025 -0.260 18953 676 1 . 1 1 123 123 HIS C C 123 176.431 176.431 175.228 1.203 18953 677 1 . 1 1 123 123 HIS CA C 123 57.604 57.604 56.205 1.399 18953 678 1 . 1 1 123 123 HIS CB C 123 33.280 33.280 31.346 1.934 18953 679 1 . 1 1 123 123 HIS H H 123 7.577 7.577 8.710 -1.133 18953 680 1 . 1 1 124 124 SER N N 124 107.332 107.332 113.155 -5.823 18953 681 1 . 1 1 124 124 SER HA H 124 4.698 4.698 5.250 -0.552 18953 682 1 . 1 1 124 124 SER C C 124 178.179 178.179 172.584 5.595 18953 683 1 . 1 1 124 124 SER CA C 124 59.556 59.556 57.548 2.008 18953 684 1 . 1 1 124 124 SER CB C 124 65.667 65.667 65.620 0.047 18953 685 1 . 1 1 124 124 SER H H 124 8.256 8.256 8.396 -0.140 18953 686 1 . 1 1 125 125 CYS N N 125 113.874 113.874 120.410 -6.536 18953 687 1 . 1 1 125 125 CYS HA H 125 5.551 5.551 5.495 0.056 18953 688 1 . 1 1 125 125 CYS C C 125 179.655 179.655 172.666 6.989 18953 689 1 . 1 1 125 125 CYS CA C 125 57.871 57.871 58.010 -0.139 18953 690 1 . 1 1 125 125 CYS CB C 125 30.586 30.586 31.253 -0.667 18953 691 1 . 1 1 125 125 CYS H H 125 9.561 9.561 8.858 0.703 18953 692 1 . 1 1 126 126 HIS N N 126 124.829 124.829 120.990 3.839 18953 693 1 . 1 1 126 126 HIS HA H 126 5.481 5.481 5.305 0.176 18953 694 1 . 1 1 126 126 HIS C C 126 176.575 176.575 172.965 3.610 18953 695 1 . 1 1 126 126 HIS CA C 126 53.307 53.307 55.358 -2.050 18953 696 1 . 1 1 126 126 HIS CB C 126 35.123 35.123 33.878 1.245 18953 697 1 . 1 1 126 126 HIS H H 126 9.858 9.858 9.007 0.851 18953 698 1 . 1 1 127 127 VAL N N 127 128.620 128.620 125.287 3.333 18953 699 1 . 1 1 127 127 VAL HA H 127 3.874 3.874 4.212 -0.338 18953 700 1 . 1 1 127 127 VAL C C 127 176.660 176.660 174.694 1.966 18953 701 1 . 1 1 127 127 VAL CA C 127 63.485 63.485 61.183 2.302 18953 702 1 . 1 1 127 127 VAL CB C 127 30.999 30.999 33.276 -2.277 18953 703 1 . 1 1 127 127 VAL H H 127 9.408 9.408 8.131 1.277 18953 704 1 . 1 1 128 128 MET N N 128 129.466 129.466 126.269 3.197 18953 705 1 . 1 1 128 128 MET HA H 128 3.930 3.930 4.544 -0.614 18953 706 1 . 1 1 128 128 MET C C 128 176.093 176.093 175.763 0.330 18953 707 1 . 1 1 128 128 MET CA C 128 58.109 58.109 57.055 1.054 18953 708 1 . 1 1 128 128 MET CB C 128 34.019 34.019 33.475 0.544 18953 709 1 . 1 1 128 128 MET H H 128 7.906 7.906 8.584 -0.678 18953 710 1 . 1 1 129 129 ASP N N 129 116.435 116.435 114.636 1.799 18953 711 1 . 1 1 129 129 ASP HA H 129 4.832 4.832 4.594 0.238 18953 712 1 . 1 1 129 129 ASP C C 129 174.959 174.959 174.754 0.205 18953 713 1 . 1 1 129 129 ASP CA C 129 54.180 54.180 54.161 0.019 18953 714 1 . 1 1 129 129 ASP CB C 129 45.131 45.131 42.796 2.335 18953 715 1 . 1 1 129 129 ASP H H 129 8.349 8.349 7.534 0.815 18953 716 1 . 1 1 130 130 GLY N N 130 113.062 113.062 107.448 5.614 18953 717 1 . 1 1 130 130 GLY C C 130 183.642 183.642 171.996 11.646 18953 718 1 . 1 1 130 130 GLY CA C 130 44.472 44.472 44.516 -0.044 18953 719 1 . 1 1 130 130 GLY H H 130 8.479 8.479 8.197 0.282 18953 720 1 . 1 1 131 131 HIS N N 131 114.389 114.389 118.956 -4.567 18953 721 1 . 1 1 131 131 HIS HA H 131 5.002 5.002 4.895 0.107 18953 722 1 . 1 1 131 131 HIS C C 131 176.470 176.470 173.557 2.913 18953 723 1 . 1 1 131 131 HIS CA C 131 56.318 56.318 55.203 1.115 18953 724 1 . 1 1 131 131 HIS CB C 131 34.035 34.035 32.709 1.326 18953 725 1 . 1 1 131 131 HIS H H 131 6.228 6.228 7.890 -1.662 18953 726 1 . 1 1 132 132 TRP N N 132 122.333 122.333 122.312 0.021 18953 727 1 . 1 1 132 132 TRP HA H 132 5.135 5.135 5.068 0.067 18953 728 1 . 1 1 132 132 TRP C C 132 177.557 177.557 174.620 2.937 18953 729 1 . 1 1 132 132 TRP CA C 132 56.896 56.896 56.001 0.895 18953 730 1 . 1 1 132 132 TRP CB C 132 33.795 33.795 32.107 1.688 18953 731 1 . 1 1 132 132 TRP H H 132 8.838 8.838 8.901 -0.063 18953 732 1 . 1 1 133 133 LEU N N 133 121.883 121.883 123.590 -1.707 18953 733 1 . 1 1 133 133 LEU HA H 133 5.122 5.122 5.089 0.033 18953 734 1 . 1 1 133 133 LEU C C 133 176.457 176.457 175.670 0.787 18953 735 1 . 1 1 133 133 LEU CA C 133 53.536 53.536 53.999 -0.463 18953 736 1 . 1 1 133 133 LEU CB C 133 46.570 46.570 43.635 2.935 18953 737 1 . 1 1 133 133 LEU H H 133 9.403 9.403 9.128 0.275 18953 738 1 . 1 1 134 134 VAL N N 134 123.013 123.013 123.518 -0.505 18953 739 1 . 1 1 134 134 VAL HA H 134 4.559 4.559 4.451 0.108 18953 740 1 . 1 1 134 134 VAL C C 134 177.780 177.780 174.640 3.140 18953 741 1 . 1 1 134 134 VAL CA C 134 60.949 60.949 61.140 -0.191 18953 742 1 . 1 1 134 134 VAL CB C 134 34.089 34.089 34.600 -0.511 18953 743 1 . 1 1 134 134 VAL H H 134 8.948 8.948 9.081 -0.133 18953 744 1 . 1 1 135 135 TYR N N 135 122.405 122.405 125.267 -2.862 18953 745 1 . 1 1 135 135 TYR HA H 135 5.540 5.540 4.819 0.721 18953 746 1 . 1 1 135 135 TYR C C 135 172.456 172.456 175.943 -3.487 18953 747 1 . 1 1 135 135 TYR CA C 135 55.997 55.997 56.824 -0.827 18953 748 1 . 1 1 135 135 TYR CB C 135 39.745 39.745 40.478 -0.733 18953 749 1 . 1 1 135 135 TYR H H 135 9.068 9.068 9.500 -0.432 18953 750 1 . 1 1 136 136 GLU N N 136 121.335 121.335 124.445 -3.110 18953 751 1 . 1 1 136 136 GLU HA H 136 4.103 4.103 4.355 -0.252 18953 752 1 . 1 1 136 136 GLU C C 136 176.022 176.022 176.715 -0.693 18953 753 1 . 1 1 136 136 GLU CA C 136 59.896 59.896 58.974 0.922 18953 754 1 . 1 1 136 136 GLU CB C 136 32.927 32.927 30.551 2.376 18953 755 1 . 1 1 136 136 GLU H H 136 9.360 9.360 8.398 0.962 18953 756 1 . 1 1 137 137 GLN N N 137 111.530 111.530 116.352 -4.822 18953 757 1 . 1 1 137 137 GLN HA H 137 4.967 4.967 4.804 0.163 18953 758 1 . 1 1 137 137 GLN CA C 137 52.833 52.833 52.680 0.153 18953 759 1 . 1 1 137 137 GLN CB C 137 29.142 29.142 31.169 -2.027 18953 760 1 . 1 1 137 137 GLN H H 137 7.808 7.808 8.072 -0.264 18953 761 1 . 1 1 138 138 PRO HA H 138 4.142 4.142 4.236 -0.094 18953 762 1 . 1 1 138 138 PRO C C 138 176.607 176.607 177.096 -0.489 18953 763 1 . 1 1 138 138 PRO CA C 138 62.461 62.461 63.416 -0.955 18953 764 1 . 1 1 138 138 PRO CB C 138 33.193 33.193 32.482 0.711 18953 765 1 . 1 1 139 139 ASN N N 139 113.240 113.240 115.927 -2.687 18953 766 1 . 1 1 139 139 ASN HA H 139 3.356 3.356 3.935 -0.579 18953 767 1 . 1 1 139 139 ASN C C 139 177.996 177.996 173.887 4.109 18953 768 1 . 1 1 139 139 ASN CA C 139 54.247 54.247 54.050 0.197 18953 769 1 . 1 1 139 139 ASN CB C 139 36.635 36.635 37.218 -0.583 18953 770 1 . 1 1 139 139 ASN H H 139 9.683 9.683 8.164 1.519 18953 771 1 . 1 1 140 140 TYR N N 140 113.289 113.289 109.713 3.576 18953 772 1 . 1 1 140 140 TYR HA H 140 2.760 2.760 3.118 -0.358 18953 773 1 . 1 1 140 140 TYR C C 140 176.488 176.488 174.554 1.934 18953 774 1 . 1 1 140 140 TYR CA C 140 55.296 55.296 58.334 -3.038 18953 775 1 . 1 1 140 140 TYR CB C 140 33.960 33.960 34.741 -0.781 18953 776 1 . 1 1 140 140 TYR H H 140 8.000 8.000 7.712 0.288 18953 777 1 . 1 1 141 141 THR N N 141 108.766 108.766 111.744 -2.978 18953 778 1 . 1 1 141 141 THR HA H 141 4.697 4.697 4.746 -0.050 18953 779 1 . 1 1 141 141 THR C C 141 178.578 178.578 173.684 4.894 18953 780 1 . 1 1 141 141 THR CA C 141 60.128 60.128 61.007 -0.879 18953 781 1 . 1 1 141 141 THR CB C 141 72.848 72.848 72.218 0.630 18953 782 1 . 1 1 141 141 THR H H 141 6.280 6.280 7.878 -1.598 18953 783 1 . 1 1 142 142 GLY N N 142 106.121 106.121 108.265 -2.144 18953 784 1 . 1 1 142 142 GLY C C 142 177.117 177.117 173.276 3.841 18953 785 1 . 1 1 142 142 GLY CA C 142 44.167 44.167 44.664 -0.497 18953 786 1 . 1 1 142 142 GLY H H 142 8.285 8.285 8.339 -0.054 18953 787 1 . 1 1 143 143 ARG N N 143 120.212 120.212 121.484 -1.272 18953 788 1 . 1 1 143 143 ARG HA H 143 3.936 3.936 3.887 0.049 18953 789 1 . 1 1 143 143 ARG C C 143 177.580 177.580 176.028 1.552 18953 790 1 . 1 1 143 143 ARG CA C 143 58.120 58.120 56.690 1.431 18953 791 1 . 1 1 143 143 ARG CB C 143 31.156 31.156 29.733 1.423 18953 792 1 . 1 1 143 143 ARG H H 143 8.583 8.583 8.349 0.234 18953 793 1 . 1 1 144 144 GLN N N 144 119.516 119.516 121.751 -2.235 18953 794 1 . 1 1 144 144 GLN HA H 144 4.891 4.891 4.737 0.154 18953 795 1 . 1 1 144 144 GLN C C 144 176.985 176.985 174.809 2.176 18953 796 1 . 1 1 144 144 GLN CA C 144 53.322 53.322 54.572 -1.250 18953 797 1 . 1 1 144 144 GLN CB C 144 32.645 32.645 29.915 2.730 18953 798 1 . 1 1 144 144 GLN H H 144 7.552 7.552 7.926 -0.374 18953 799 1 . 1 1 145 145 PHE N N 145 114.745 114.745 120.851 -6.106 18953 800 1 . 1 1 145 145 PHE HA H 145 4.657 4.657 4.856 -0.199 18953 801 1 . 1 1 145 145 PHE C C 145 176.969 176.969 174.590 2.379 18953 802 1 . 1 1 145 145 PHE CA C 145 55.906 55.906 56.489 -0.583 18953 803 1 . 1 1 145 145 PHE CB C 145 42.267 42.267 42.776 -0.509 18953 804 1 . 1 1 145 145 PHE H H 145 8.696 8.696 8.815 -0.119 18953 805 1 . 1 1 146 146 TYR N N 146 124.271 124.271 126.273 -2.002 18953 806 1 . 1 1 146 146 TYR HA H 146 5.274 5.274 4.984 0.290 18953 807 1 . 1 1 146 146 TYR C C 146 176.212 176.212 174.286 1.926 18953 808 1 . 1 1 146 146 TYR CA C 146 55.740 55.740 57.156 -1.416 18953 809 1 . 1 1 146 146 TYR CB C 146 38.234 38.234 38.629 -0.395 18953 810 1 . 1 1 146 146 TYR H H 146 8.915 8.915 8.909 0.006 18953 811 1 . 1 1 147 147 LEU N N 147 103.207 103.207 129.517 -26.310 18953 812 1 . 1 1 147 147 LEU HA H 147 4.391 4.391 4.555 -0.164 18953 813 1 . 1 1 147 147 LEU C C 147 178.198 178.198 175.570 2.628 18953 814 1 . 1 1 147 147 LEU CA C 147 54.969 54.969 54.066 0.903 18953 815 1 . 1 1 147 147 LEU CB C 147 44.145 44.145 42.616 1.529 18953 816 1 . 1 1 147 147 LEU H H 147 9.229 9.229 8.898 0.331 18953 817 1 . 1 1 148 148 ARG N N 148 120.815 120.815 123.550 -2.735 18953 818 1 . 1 1 148 148 ARG HA H 148 4.579 4.579 4.971 -0.392 18953 819 1 . 1 1 148 148 ARG CA C 148 52.994 52.994 52.804 0.190 18953 820 1 . 1 1 148 148 ARG CB C 148 29.256 29.256 29.816 -0.560 18953 821 1 . 1 1 148 148 ARG H H 148 6.955 6.955 9.125 -2.170 18953 822 1 . 1 1 149 149 PRO HA H 149 4.186 4.186 4.185 0.001 18953 823 1 . 1 1 149 149 PRO C C 149 175.154 175.154 177.037 -1.883 18953 824 1 . 1 1 149 149 PRO CA C 149 64.855 64.855 63.361 1.494 18953 825 1 . 1 1 149 149 PRO CB C 149 31.637 31.637 31.933 -0.296 18953 826 1 . 1 1 150 150 GLY N N 150 111.695 111.695 107.777 3.918 18953 827 1 . 1 1 150 150 GLY C C 150 179.740 179.740 171.752 7.988 18953 828 1 . 1 1 150 150 GLY CA C 150 44.613 44.613 44.325 0.288 18953 829 1 . 1 1 150 150 GLY H H 150 8.965 8.965 7.641 1.324 18953 830 1 . 1 1 151 151 GLU N N 151 118.822 118.822 119.878 -1.056 18953 831 1 . 1 1 151 151 GLU HA H 151 4.323 4.323 4.867 -0.544 18953 832 1 . 1 1 151 151 GLU C C 151 176.078 176.078 174.951 1.127 18953 833 1 . 1 1 151 151 GLU CA C 151 56.553 56.553 55.303 1.250 18953 834 1 . 1 1 151 151 GLU CB C 151 31.878 31.878 32.022 -0.144 18953 835 1 . 1 1 151 151 GLU H H 151 8.403 8.403 8.229 0.174 18953 836 1 . 1 1 152 152 TYR N N 152 123.055 123.055 122.255 0.800 18953 837 1 . 1 1 152 152 TYR HA H 152 4.740 4.740 4.914 -0.174 18953 838 1 . 1 1 152 152 TYR C C 152 176.413 176.413 176.217 0.196 18953 839 1 . 1 1 152 152 TYR CA C 152 56.970 56.970 57.549 -0.579 18953 840 1 . 1 1 152 152 TYR CB C 152 38.774 38.774 41.330 -2.556 18953 841 1 . 1 1 152 152 TYR H H 152 8.859 8.859 9.367 -0.508 18953 842 1 . 1 1 153 153 ARG N N 153 124.271 124.271 118.520 5.751 18953 843 1 . 1 1 153 153 ARG HA H 153 4.016 4.016 4.703 -0.687 18953 844 1 . 1 1 153 153 ARG C C 153 176.727 176.727 175.518 1.209 18953 845 1 . 1 1 153 153 ARG CA C 153 60.204 60.204 55.797 4.407 18953 846 1 . 1 1 153 153 ARG CB C 153 30.340 30.340 32.543 -2.203 18953 847 1 . 1 1 153 153 ARG H H 153 8.882 8.882 9.271 -0.389 18953 848 1 . 1 1 154 154 SER N N 154 111.500 111.500 112.604 -1.104 18953 849 1 . 1 1 154 154 SER HA H 154 5.194 5.194 4.589 0.605 18953 850 1 . 1 1 154 154 SER C C 154 176.379 176.379 173.401 2.978 18953 851 1 . 1 1 154 154 SER CA C 154 56.894 56.894 56.424 0.470 18953 852 1 . 1 1 154 154 SER CB C 154 66.352 66.352 64.902 1.450 18953 853 1 . 1 1 154 154 SER H H 154 8.070 8.070 7.763 0.307 18953 854 1 . 1 1 155 155 TYR N N 155 119.386 119.386 120.483 -1.097 18953 855 1 . 1 1 155 155 TYR HA H 155 1.163 1.163 3.257 -2.094 18953 856 1 . 1 1 155 155 TYR C C 155 174.639 174.639 176.490 -1.851 18953 857 1 . 1 1 155 155 TYR CA C 155 57.369 57.369 59.829 -2.460 18953 858 1 . 1 1 155 155 TYR CB C 155 38.399 38.399 37.272 1.127 18953 859 1 . 1 1 155 155 TYR H H 155 7.638 7.638 7.336 0.302 18953 860 1 . 1 1 156 156 ASN N N 156 119.038 119.038 114.606 4.432 18953 861 1 . 1 1 156 156 ASN HA H 156 4.120 4.120 4.467 -0.347 18953 862 1 . 1 1 156 156 ASN C C 156 172.889 172.889 175.144 -2.255 18953 863 1 . 1 1 156 156 ASN CA C 156 55.596 55.596 53.652 1.944 18953 864 1 . 1 1 156 156 ASN CB C 156 38.621 38.621 37.912 0.709 18953 865 1 . 1 1 156 156 ASN H H 156 6.819 6.819 7.691 -0.872 18953 866 1 . 1 1 157 157 ASP N N 157 118.338 118.338 121.072 -2.734 18953 867 1 . 1 1 157 157 ASP HA H 157 4.581 4.581 4.509 0.072 18953 868 1 . 1 1 157 157 ASP C C 157 173.908 173.908 177.024 -3.116 18953 869 1 . 1 1 157 157 ASP CA C 157 57.382 57.382 56.919 0.463 18953 870 1 . 1 1 157 157 ASP CB C 157 41.627 41.627 41.524 0.102 18953 871 1 . 1 1 157 157 ASP H H 157 7.791 7.791 7.627 0.164 18953 872 1 . 1 1 158 158 TRP N N 158 114.610 114.610 118.890 -4.280 18953 873 1 . 1 1 158 158 TRP HA H 158 5.334 5.334 4.913 0.421 18953 874 1 . 1 1 158 158 TRP C C 158 175.711 175.711 176.544 -0.833 18953 875 1 . 1 1 158 158 TRP CA C 158 57.069 57.069 56.557 0.512 18953 876 1 . 1 1 158 158 TRP CB C 158 28.119 28.119 28.846 -0.727 18953 877 1 . 1 1 158 158 TRP H H 158 7.000 7.000 6.789 0.211 18953 878 1 . 1 1 159 159 GLY N N 159 108.647 108.647 108.250 0.397 18953 879 1 . 1 1 159 159 GLY C C 159 175.991 175.991 174.355 1.636 18953 880 1 . 1 1 159 159 GLY CA C 159 45.732 45.732 45.345 0.387 18953 881 1 . 1 1 159 159 GLY H H 159 7.588 7.588 7.853 -0.265 18953 882 1 . 1 1 160 160 GLY N N 160 107.348 107.348 106.230 1.118 18953 883 1 . 1 1 160 160 GLY C C 160 178.604 178.604 172.885 5.719 18953 884 1 . 1 1 160 160 GLY CA C 160 45.356 45.356 43.608 1.748 18953 885 1 . 1 1 160 160 GLY H H 160 7.326 7.326 7.765 -0.439 18953 886 1 . 1 1 161 161 VAL N N 161 118.047 118.047 115.350 2.697 18953 887 1 . 1 1 161 161 VAL HA H 161 4.252 4.252 4.261 -0.009 18953 888 1 . 1 1 161 161 VAL C C 161 175.118 175.118 175.354 -0.236 18953 889 1 . 1 1 161 161 VAL CA C 161 63.303 63.303 62.844 0.459 18953 890 1 . 1 1 161 161 VAL CB C 161 32.835 32.835 33.329 -0.494 18953 891 1 . 1 1 161 161 VAL H H 161 8.697 8.697 8.456 0.241 18953 892 1 . 1 1 162 162 THR N N 162 111.630 111.630 110.178 1.452 18953 893 1 . 1 1 162 162 THR HA H 162 3.659 3.659 4.273 -0.614 18953 894 1 . 1 1 162 162 THR C C 162 179.191 179.191 174.015 5.176 18953 895 1 . 1 1 162 162 THR CA C 162 59.431 59.431 60.571 -1.141 18953 896 1 . 1 1 162 162 THR CB C 162 71.935 71.935 71.248 0.687 18953 897 1 . 1 1 162 162 THR H H 162 7.864 7.864 7.538 0.326 18953 898 1 . 1 1 163 163 SER N N 163 112.275 112.275 113.697 -1.422 18953 899 1 . 1 1 163 163 SER HA H 163 4.018 4.018 4.792 -0.774 18953 900 1 . 1 1 163 163 SER C C 163 178.307 178.307 174.274 4.033 18953 901 1 . 1 1 163 163 SER CA C 163 57.968 57.968 57.880 0.088 18953 902 1 . 1 1 163 163 SER CB C 163 63.093 63.093 64.443 -1.350 18953 903 1 . 1 1 163 163 SER H H 163 7.502 7.502 8.597 -1.095 18953 904 1 . 1 1 164 164 ARG N N 164 122.770 122.770 124.220 -1.450 18953 905 1 . 1 1 164 164 ARG HA H 164 4.425 4.425 4.605 -0.180 18953 906 1 . 1 1 164 164 ARG C C 164 175.003 175.003 175.097 -0.094 18953 907 1 . 1 1 164 164 ARG CA C 164 57.137 57.137 56.530 0.607 18953 908 1 . 1 1 164 164 ARG CB C 164 30.453 30.453 28.702 1.751 18953 909 1 . 1 1 164 164 ARG H H 164 7.578 7.578 7.756 -0.178 18953 910 1 . 1 1 165 165 MET N N 165 122.454 122.454 121.953 0.501 18953 911 1 . 1 1 165 165 MET HA H 165 4.620 4.620 4.949 -0.329 18953 912 1 . 1 1 165 165 MET C C 165 177.244 177.244 175.968 1.276 18953 913 1 . 1 1 165 165 MET CA C 165 56.192 56.192 55.363 0.829 18953 914 1 . 1 1 165 165 MET CB C 165 37.269 37.269 33.898 3.371 18953 915 1 . 1 1 165 165 MET H H 165 8.480 8.480 8.703 -0.223 18953 916 1 . 1 1 166 166 GLY N N 166 107.987 107.987 110.416 -2.429 18953 917 1 . 1 1 166 166 GLY C C 166 177.648 177.648 173.433 4.215 18953 918 1 . 1 1 166 166 GLY CA C 166 45.692 45.692 44.765 0.927 18953 919 1 . 1 1 166 166 GLY H H 166 9.046 9.046 8.670 0.376 18953 920 1 . 1 1 167 167 SER N N 167 113.024 113.024 115.994 -2.970 18953 921 1 . 1 1 167 167 SER HA H 167 4.562 4.562 5.726 -1.164 18953 922 1 . 1 1 167 167 SER C C 167 179.104 179.104 172.807 6.297 18953 923 1 . 1 1 167 167 SER CA C 167 58.729 58.729 56.420 2.309 18953 924 1 . 1 1 167 167 SER CB C 167 64.816 64.816 65.845 -1.029 18953 925 1 . 1 1 167 167 SER H H 167 8.257 8.257 7.988 0.269 18953 926 1 . 1 1 168 168 ILE N N 168 118.927 118.927 121.816 -2.889 18953 927 1 . 1 1 168 168 ILE HA H 168 5.508 5.508 5.093 0.415 18953 928 1 . 1 1 168 168 ILE C C 168 177.783 177.783 174.075 3.708 18953 929 1 . 1 1 168 168 ILE CA C 168 61.161 61.161 60.889 0.272 18953 930 1 . 1 1 168 168 ILE CB C 168 44.210 44.210 43.176 1.034 18953 931 1 . 1 1 168 168 ILE H H 168 8.922 8.922 9.136 -0.214 18953 932 1 . 1 1 169 169 ARG N N 169 124.820 124.820 124.675 0.145 18953 933 1 . 1 1 169 169 ARG HA H 169 5.045 5.045 4.905 0.140 18953 934 1 . 1 1 169 169 ARG C C 169 177.350 177.350 174.138 3.212 18953 935 1 . 1 1 169 169 ARG CA C 169 54.185 54.185 54.368 -0.183 18953 936 1 . 1 1 169 169 ARG CB C 169 34.991 34.991 34.680 0.311 18953 937 1 . 1 1 169 169 ARG H H 169 9.757 9.757 9.284 0.473 18953 938 1 . 1 1 170 170 ARG N N 170 122.951 122.951 126.252 -3.301 18953 939 1 . 1 1 170 170 ARG HA H 170 3.265 3.265 3.931 -0.666 18953 940 1 . 1 1 170 170 ARG C C 170 174.373 174.373 175.436 -1.063 18953 941 1 . 1 1 170 170 ARG CA C 170 55.170 55.170 53.940 1.230 18953 942 1 . 1 1 170 170 ARG CB C 170 30.150 30.150 28.952 1.198 18953 943 1 . 1 1 170 170 ARG H H 170 8.552 8.552 8.449 0.103 18953 944 1 . 1 1 171 171 ILE N N 171 123.280 123.280 125.169 -1.889 18953 945 1 . 1 1 171 171 ILE HA H 171 3.802 3.802 3.695 0.107 18953 946 1 . 1 1 171 171 ILE C C 171 177.088 177.088 175.254 1.834 18953 947 1 . 1 1 171 171 ILE CA C 171 62.561 62.561 62.362 0.199 18953 948 1 . 1 1 171 171 ILE CB C 171 36.326 36.326 36.558 -0.232 18953 949 1 . 1 1 171 171 ILE H H 171 8.424 8.424 8.103 0.321 18953 950 1 . 1 1 172 172 THR N N 172 117.270 117.270 120.554 -3.284 18953 951 1 . 1 1 172 172 THR HA H 172 4.558 4.558 4.243 0.315 18953 952 1 . 1 1 172 172 THR C C 172 177.651 177.651 173.146 4.505 18953 953 1 . 1 1 172 172 THR CA C 172 60.095 60.095 61.156 -1.061 18953 954 1 . 1 1 172 172 THR CB C 172 70.040 70.040 68.383 1.657 18953 955 1 . 1 1 172 172 THR H H 172 7.299 7.299 8.080 -0.781 18953 956 1 . 1 1 173 173 ASP N N 173 121.598 121.598 122.802 -1.204 18953 957 1 . 1 1 173 173 ASP HA H 173 4.445 4.445 4.593 -0.148 18953 958 1 . 1 1 173 173 ASP C C 173 177.041 177.041 175.703 1.338 18953 959 1 . 1 1 173 173 ASP CA C 173 55.010 55.010 54.128 0.882 18953 960 1 . 1 1 173 173 ASP CB C 173 41.524 41.524 40.898 0.626 18953 961 1 . 1 1 173 173 ASP H H 173 8.477 8.477 8.003 0.474 18953 stop_ save_