data_25483 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25483 _Entry.PDB_ID 2MZC 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 25483 _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 3 3 GLY N N 3 110.312 110.312 108.078 2.234 25483 2 1 1 . 1 1 3 3 GLY C C 3 174.169 174.169 174.504 -0.335 25483 3 1 1 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.702 0.773 25483 4 1 1 . 1 1 3 3 GLY H H 3 8.679 8.679 7.759 0.920 25483 5 1 1 . 1 1 4 4 SER N N 4 115.617 115.617 118.708 -3.091 25483 6 1 1 . 1 1 4 4 SER HA H 4 4.499 4.499 4.203 0.296 25483 7 1 1 . 1 1 4 4 SER C C 4 174.408 174.408 175.579 -1.171 25483 8 1 1 . 1 1 4 4 SER CA C 4 58.541 58.541 59.465 -0.923 25483 9 1 1 . 1 1 4 4 SER CB C 4 63.920 63.920 63.578 0.341 25483 10 1 1 . 1 1 4 4 SER H H 4 8.237 8.237 8.485 -0.248 25483 11 1 1 . 1 1 5 5 MET N N 5 121.390 121.390 117.918 3.472 25483 12 1 1 . 1 1 5 5 MET HA H 5 4.702 4.702 4.590 0.112 25483 13 1 1 . 1 1 5 5 MET C C 5 176.122 176.122 176.280 -0.158 25483 14 1 1 . 1 1 5 5 MET CA C 5 55.600 55.600 55.175 0.425 25483 15 1 1 . 1 1 5 5 MET CB C 5 34.357 34.357 33.825 0.531 25483 16 1 1 . 1 1 5 5 MET H H 5 8.309 8.309 7.407 0.902 25483 17 1 1 . 1 1 6 6 VAL N N 6 117.990 117.990 114.936 3.054 25483 18 1 1 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.275 -0.074 25483 19 1 1 . 1 1 6 6 VAL C C 6 174.450 174.450 175.251 -0.801 25483 20 1 1 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.309 1.109 25483 21 1 1 . 1 1 6 6 VAL CB C 6 32.585 32.585 33.318 -0.733 25483 22 1 1 . 1 1 6 6 VAL H H 6 8.175 8.175 7.710 0.465 25483 23 1 1 . 1 1 7 7 ASP N N 7 121.785 121.785 120.888 0.897 25483 24 1 1 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.913 -0.345 25483 25 1 1 . 1 1 7 7 ASP C C 7 175.866 175.866 175.387 0.479 25483 26 1 1 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.705 1.463 25483 27 1 1 . 1 1 7 7 ASP CB C 7 41.599 41.599 41.907 -0.308 25483 28 1 1 . 1 1 7 7 ASP H H 7 8.332 8.332 8.210 0.122 25483 29 1 1 . 1 1 8 8 VAL N N 8 124.023 124.023 122.143 1.880 25483 30 1 1 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.834 0.164 25483 31 1 1 . 1 1 8 8 VAL C C 8 174.859 174.859 175.776 -0.917 25483 32 1 1 . 1 1 8 8 VAL CA C 8 61.461 61.461 61.740 -0.279 25483 33 1 1 . 1 1 8 8 VAL CB C 8 33.321 33.321 33.276 0.045 25483 34 1 1 . 1 1 8 8 VAL H H 8 8.658 8.658 8.365 0.293 25483 35 1 1 . 1 1 9 9 ILE N N 9 129.744 129.744 123.650 6.094 25483 36 1 1 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.723 0.288 25483 37 1 1 . 1 1 9 9 ILE C C 9 174.323 174.323 174.107 0.216 25483 38 1 1 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.392 -0.695 25483 39 1 1 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.675 -1.396 25483 40 1 1 . 1 1 9 9 ILE H H 9 9.306 9.306 8.733 0.573 25483 41 1 1 . 1 1 10 10 ILE N N 10 123.657 123.657 121.995 1.662 25483 42 1 1 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.135 0.264 25483 43 1 1 . 1 1 10 10 ILE C C 10 173.066 173.066 173.769 -0.703 25483 44 1 1 . 1 1 10 10 ILE CA C 10 58.489 58.489 59.004 -0.515 25483 45 1 1 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.626 -0.829 25483 46 1 1 . 1 1 10 10 ILE H H 10 8.734 8.734 8.950 -0.216 25483 47 1 1 . 1 1 11 11 TYR N N 11 128.973 128.973 127.953 1.020 25483 48 1 1 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.723 0.964 25483 49 1 1 . 1 1 11 11 TYR C C 11 176.756 176.756 174.474 2.282 25483 50 1 1 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.258 -0.850 25483 51 1 1 . 1 1 11 11 TYR CB C 11 40.284 40.284 39.046 1.238 25483 52 1 1 . 1 1 11 11 TYR H H 11 9.292 9.292 8.850 0.442 25483 53 1 1 . 1 1 12 12 THR N N 12 112.725 112.725 116.528 -3.803 25483 54 1 1 . 1 1 12 12 THR HA H 12 5.732 5.732 4.553 1.179 25483 55 1 1 . 1 1 12 12 THR C C 12 172.866 172.866 173.099 -0.233 25483 56 1 1 . 1 1 12 12 THR CA C 12 59.671 59.671 61.377 -1.706 25483 57 1 1 . 1 1 12 12 THR CB C 12 72.735 72.735 70.908 1.827 25483 58 1 1 . 1 1 12 12 THR H H 12 9.253 9.253 8.121 1.132 25483 59 1 1 . 1 1 13 13 ARG N N 13 116.857 116.857 123.911 -7.054 25483 60 1 1 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.474 0.311 25483 61 1 1 . 1 1 13 13 ARG C C 13 173.407 173.407 175.310 -1.903 25483 62 1 1 . 1 1 13 13 ARG CA C 13 53.254 53.254 54.832 -1.578 25483 63 1 1 . 1 1 13 13 ARG CB C 13 31.597 31.597 29.850 1.747 25483 64 1 1 . 1 1 13 13 ARG H H 13 8.695 8.695 8.337 0.358 25483 65 1 1 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.351 -0.190 25483 66 1 1 . 1 1 14 14 PRO C C 14 177.642 177.642 176.839 0.803 25483 67 1 1 . 1 1 14 14 PRO CA C 14 57.978 57.978 62.962 -4.984 25483 68 1 1 . 1 1 14 14 PRO CB C 14 30.197 30.197 30.164 0.033 25483 69 1 1 . 1 1 15 15 GLY N N 15 108.958 108.958 113.035 -4.077 25483 70 1 1 . 1 1 15 15 GLY C C 15 173.520 173.520 173.968 -0.448 25483 71 1 1 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.167 0.866 25483 72 1 1 . 1 1 15 15 GLY H H 15 8.534 8.534 8.555 -0.021 25483 73 1 1 . 1 1 16 16 CYS N N 16 122.701 122.701 119.065 3.636 25483 74 1 1 . 1 1 16 16 CYS HA H 16 5.035 5.035 3.931 1.104 25483 75 1 1 . 1 1 16 16 CYS C C 16 175.994 175.994 173.148 2.846 25483 76 1 1 . 1 1 16 16 CYS CA C 16 55.218 55.218 58.841 -3.623 25483 77 1 1 . 1 1 16 16 CYS CB C 16 31.714 31.714 26.970 4.744 25483 78 1 1 . 1 1 16 16 CYS H H 16 7.476 7.476 8.200 -0.724 25483 79 1 1 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.023 0.317 25483 80 1 1 . 1 1 17 17 PRO C C 17 178.531 178.531 175.766 2.765 25483 81 1 1 . 1 1 17 17 PRO CA C 17 64.531 64.531 64.138 0.393 25483 82 1 1 . 1 1 17 17 PRO CB C 17 32.140 32.140 31.660 0.480 25483 83 1 1 . 1 1 18 18 TYR N N 18 121.799 121.799 114.324 7.475 25483 84 1 1 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.296 0.126 25483 85 1 1 . 1 1 18 18 TYR C C 18 178.508 178.508 176.488 2.020 25483 86 1 1 . 1 1 18 18 TYR CA C 18 61.076 61.076 56.803 4.273 25483 87 1 1 . 1 1 18 18 TYR CB C 18 38.433 38.433 35.441 2.992 25483 88 1 1 . 1 1 18 18 TYR H H 18 8.148 8.148 7.922 0.226 25483 89 1 1 . 1 1 19 19 CYS N N 19 122.966 122.966 118.637 4.329 25483 90 1 1 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.638 -0.636 25483 91 1 1 . 1 1 19 19 CYS C C 19 177.642 177.642 174.886 2.756 25483 92 1 1 . 1 1 19 19 CYS CA C 19 64.471 64.471 55.542 8.929 25483 93 1 1 . 1 1 19 19 CYS CB C 19 31.017 31.017 25.212 5.805 25483 94 1 1 . 1 1 19 19 CYS H H 19 7.833 7.833 8.726 -0.893 25483 95 1 1 . 1 1 20 20 ALA N N 20 121.738 121.738 124.851 -3.113 25483 96 1 1 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.115 0.035 25483 97 1 1 . 1 1 20 20 ALA C C 20 180.531 180.531 179.096 1.435 25483 98 1 1 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.483 1.101 25483 99 1 1 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.796 -0.767 25483 100 1 1 . 1 1 20 20 ALA H H 20 7.080 7.080 8.070 -0.990 25483 101 1 1 . 1 1 21 21 ARG N N 21 119.812 119.812 119.042 0.770 25483 102 1 1 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.095 0.147 25483 103 1 1 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.590 -1.665 25483 104 1 1 . 1 1 21 21 ARG CB C 21 29.868 29.868 30.280 -0.412 25483 105 1 1 . 1 1 21 21 ARG H H 21 8.039 8.039 8.245 -0.206 25483 106 1 1 . 1 1 22 22 ALA N N 22 124.459 124.459 118.362 6.097 25483 107 1 1 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.967 0.173 25483 108 1 1 . 1 1 22 22 ALA C C 22 178.267 178.267 179.553 -1.286 25483 109 1 1 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.887 0.784 25483 110 1 1 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.264 0.962 25483 111 1 1 . 1 1 22 22 ALA H H 22 7.768 7.768 8.246 -0.478 25483 112 1 1 . 1 1 23 23 LYS N N 23 116.014 116.014 116.867 -0.853 25483 113 1 1 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.801 -0.500 25483 114 1 1 . 1 1 23 23 LYS C C 23 177.995 177.995 178.559 -0.564 25483 115 1 1 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.334 3.388 25483 116 1 1 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.773 -0.123 25483 117 1 1 . 1 1 23 23 LYS H H 23 7.984 7.984 7.503 0.481 25483 118 1 1 . 1 1 24 24 ALA N N 24 120.042 120.042 122.909 -2.867 25483 119 1 1 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.116 0.094 25483 120 1 1 . 1 1 24 24 ALA C C 24 180.610 180.610 179.937 0.673 25483 121 1 1 . 1 1 24 24 ALA CA C 24 54.865 54.865 55.117 -0.252 25483 122 1 1 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.131 -0.195 25483 123 1 1 . 1 1 24 24 ALA H H 24 8.040 8.040 7.860 0.180 25483 124 1 1 . 1 1 25 25 LEU N N 25 119.514 119.514 119.095 0.419 25483 125 1 1 . 1 1 25 25 LEU HA H 25 4.152 4.152 4.142 0.010 25483 126 1 1 . 1 1 25 25 LEU C C 25 177.834 177.834 178.391 -0.557 25483 127 1 1 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.382 0.306 25483 128 1 1 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.599 -0.864 25483 129 1 1 . 1 1 25 25 LEU H H 25 7.150 7.150 7.325 -0.175 25483 130 1 1 . 1 1 26 26 LEU N N 26 117.253 117.253 119.035 -1.782 25483 131 1 1 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.869 -0.116 25483 132 1 1 . 1 1 26 26 LEU C C 26 178.553 178.553 179.040 -0.487 25483 133 1 1 . 1 1 26 26 LEU CA C 26 58.475 58.475 58.319 0.156 25483 134 1 1 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.280 -0.216 25483 135 1 1 . 1 1 26 26 LEU H H 26 7.576 7.576 7.414 0.162 25483 136 1 1 . 1 1 27 27 ALA N N 27 119.606 119.606 120.021 -0.415 25483 137 1 1 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.221 0.120 25483 138 1 1 . 1 1 27 27 ALA C C 27 182.219 182.219 179.624 2.595 25483 139 1 1 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.668 0.658 25483 140 1 1 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.329 -0.221 25483 141 1 1 . 1 1 27 27 ALA H H 27 8.629 8.629 8.516 0.113 25483 142 1 1 . 1 1 28 28 ARG N N 28 121.081 121.081 119.858 1.223 25483 143 1 1 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.202 -0.037 25483 144 1 1 . 1 1 28 28 ARG C C 28 178.659 178.659 177.636 1.023 25483 145 1 1 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.422 0.758 25483 146 1 1 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.676 -0.756 25483 147 1 1 . 1 1 28 28 ARG H H 28 7.992 7.992 7.953 0.039 25483 148 1 1 . 1 1 29 29 LYS N N 29 115.790 115.790 115.412 0.378 25483 149 1 1 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.457 -0.223 25483 150 1 1 . 1 1 29 29 LYS C C 29 176.666 176.666 176.251 0.415 25483 151 1 1 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.633 -0.688 25483 152 1 1 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.344 -0.903 25483 153 1 1 . 1 1 29 29 LYS H H 29 7.663 7.663 7.585 0.078 25483 154 1 1 . 1 1 30 30 GLY N N 30 107.767 107.767 109.168 -1.401 25483 155 1 1 . 1 1 30 30 GLY C C 30 174.014 174.014 174.973 -0.959 25483 156 1 1 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.725 -0.320 25483 157 1 1 . 1 1 30 30 GLY H H 30 7.930 7.930 7.369 0.561 25483 158 1 1 . 1 1 31 31 ALA N N 31 122.192 122.192 120.959 1.233 25483 159 1 1 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.296 0.207 25483 160 1 1 . 1 1 31 31 ALA C C 31 176.691 176.691 176.305 0.386 25483 161 1 1 . 1 1 31 31 ALA CA C 31 51.631 51.631 51.873 -0.242 25483 162 1 1 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.338 -0.400 25483 163 1 1 . 1 1 31 31 ALA H H 31 7.844 7.844 7.898 -0.054 25483 164 1 1 . 1 1 32 32 GLU N N 32 123.903 123.903 120.200 3.703 25483 165 1 1 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.140 0.095 25483 166 1 1 . 1 1 32 32 GLU C C 32 176.080 176.080 175.165 0.915 25483 167 1 1 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.529 0.206 25483 168 1 1 . 1 1 32 32 GLU CB C 32 29.777 29.777 31.276 -1.498 25483 169 1 1 . 1 1 32 32 GLU H H 32 8.337 8.337 8.456 -0.119 25483 170 1 1 . 1 1 33 33 PHE N N 33 116.634 116.634 118.019 -1.385 25483 171 1 1 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.090 0.142 25483 172 1 1 . 1 1 33 33 PHE C C 33 173.397 173.397 173.576 -0.179 25483 173 1 1 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.583 -0.362 25483 174 1 1 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.088 0.420 25483 175 1 1 . 1 1 33 33 PHE H H 33 7.640 7.640 7.513 0.127 25483 176 1 1 . 1 1 34 34 ASN N N 34 120.133 120.133 121.011 -0.878 25483 177 1 1 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.962 0.009 25483 178 1 1 . 1 1 34 34 ASN C C 34 173.199 173.199 174.675 -1.476 25483 179 1 1 . 1 1 34 34 ASN CA C 34 52.180 52.180 51.474 0.706 25483 180 1 1 . 1 1 34 34 ASN CB C 34 39.840 39.840 40.675 -0.835 25483 181 1 1 . 1 1 34 34 ASN H H 34 8.921 8.921 8.461 0.460 25483 182 1 1 . 1 1 35 35 GLU N N 35 126.204 126.204 124.361 1.843 25483 183 1 1 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.644 0.534 25483 184 1 1 . 1 1 35 35 GLU C C 35 175.185 175.185 176.041 -0.856 25483 185 1 1 . 1 1 35 35 GLU CA C 35 54.551 54.551 55.386 -0.836 25483 186 1 1 . 1 1 35 35 GLU CB C 35 31.437 31.437 30.642 0.795 25483 187 1 1 . 1 1 35 35 GLU H H 35 8.758 8.758 8.783 -0.025 25483 188 1 1 . 1 1 36 36 ILE N N 36 130.012 130.012 121.793 8.219 25483 189 1 1 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.111 0.050 25483 190 1 1 . 1 1 36 36 ILE C C 36 174.987 174.987 174.305 0.682 25483 191 1 1 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.992 0.191 25483 192 1 1 . 1 1 36 36 ILE CB C 36 40.273 40.273 40.301 -0.028 25483 193 1 1 . 1 1 36 36 ILE H H 36 9.080 9.080 7.818 1.262 25483 194 1 1 . 1 1 37 37 ASP N N 37 125.921 125.921 128.534 -2.613 25483 195 1 1 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.580 0.422 25483 196 1 1 . 1 1 37 37 ASP C C 37 176.847 176.847 175.339 1.508 25483 197 1 1 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.541 -1.663 25483 198 1 1 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.342 -1.052 25483 199 1 1 . 1 1 37 37 ASP H H 37 8.515 8.515 8.543 -0.028 25483 200 1 1 . 1 1 38 38 ALA N N 38 130.525 130.525 125.706 4.819 25483 201 1 1 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.533 0.125 25483 202 1 1 . 1 1 38 38 ALA C C 38 175.507 175.507 177.614 -2.107 25483 203 1 1 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.095 0.825 25483 204 1 1 . 1 1 38 38 ALA CB C 38 20.612 20.612 21.328 -0.716 25483 205 1 1 . 1 1 38 38 ALA H H 38 8.845 8.845 7.920 0.925 25483 206 1 1 . 1 1 39 39 SER N N 39 111.653 111.653 111.266 0.387 25483 207 1 1 . 1 1 39 39 SER HA H 39 4.425 4.425 4.131 0.294 25483 208 1 1 . 1 1 39 39 SER C C 39 176.988 176.988 173.656 3.332 25483 209 1 1 . 1 1 39 39 SER CA C 39 59.504 59.504 59.519 -0.015 25483 210 1 1 . 1 1 39 39 SER CB C 39 64.768 64.768 62.414 2.354 25483 211 1 1 . 1 1 39 39 SER H H 39 8.727 8.727 9.069 -0.342 25483 212 1 1 . 1 1 40 40 ALA N N 40 124.164 124.164 120.632 3.532 25483 213 1 1 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.473 -0.244 25483 214 1 1 . 1 1 40 40 ALA C C 40 178.039 178.039 176.886 1.153 25483 215 1 1 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.553 2.294 25483 216 1 1 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.294 0.084 25483 217 1 1 . 1 1 40 40 ALA H H 40 7.543 7.543 8.188 -0.644 25483 218 1 1 . 1 1 41 41 THR N N 41 106.060 106.060 113.625 -7.565 25483 219 1 1 . 1 1 41 41 THR HA H 41 5.006 5.006 4.842 0.164 25483 220 1 1 . 1 1 41 41 THR C C 41 173.200 173.200 172.962 0.238 25483 221 1 1 . 1 1 41 41 THR CA C 41 57.856 57.856 58.751 -0.895 25483 222 1 1 . 1 1 41 41 THR CB C 41 70.541 70.541 70.504 0.037 25483 223 1 1 . 1 1 41 41 THR H H 41 7.162 7.162 7.641 -0.479 25483 224 1 1 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.488 -0.163 25483 225 1 1 . 1 1 42 42 PRO C C 42 179.534 179.534 178.409 1.125 25483 226 1 1 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.569 0.238 25483 227 1 1 . 1 1 42 42 PRO CB C 42 31.741 31.741 31.788 -0.047 25483 228 1 1 . 1 1 43 43 GLU N N 43 118.723 118.723 119.556 -0.833 25483 229 1 1 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.111 -0.003 25483 230 1 1 . 1 1 43 43 GLU C C 43 179.692 179.692 178.464 1.228 25483 231 1 1 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.186 1.535 25483 232 1 1 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.814 -1.263 25483 233 1 1 . 1 1 43 43 GLU H H 43 9.124 9.124 8.184 0.940 25483 234 1 1 . 1 1 44 44 LEU N N 44 121.970 121.970 119.598 2.372 25483 235 1 1 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.487 -0.147 25483 236 1 1 . 1 1 44 44 LEU C C 44 178.924 178.924 178.640 0.284 25483 237 1 1 . 1 1 44 44 LEU CA C 44 57.472 57.472 56.971 0.501 25483 238 1 1 . 1 1 44 44 LEU CB C 44 42.432 42.432 42.044 0.388 25483 239 1 1 . 1 1 44 44 LEU H H 44 7.838 7.838 7.399 0.439 25483 240 1 1 . 1 1 45 45 ARG N N 45 122.130 122.130 120.320 1.810 25483 241 1 1 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.919 0.174 25483 242 1 1 . 1 1 45 45 ARG C C 45 178.955 178.955 178.321 0.634 25483 243 1 1 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.905 0.219 25483 244 1 1 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.178 -0.031 25483 245 1 1 . 1 1 45 45 ARG H H 45 7.762 7.762 8.554 -0.792 25483 246 1 1 . 1 1 46 46 ALA N N 46 121.165 121.165 119.118 2.047 25483 247 1 1 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.121 0.015 25483 248 1 1 . 1 1 46 46 ALA C C 46 179.912 179.912 179.287 0.625 25483 249 1 1 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.772 0.173 25483 250 1 1 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.304 -0.592 25483 251 1 1 . 1 1 46 46 ALA H H 46 8.160 8.160 7.672 0.488 25483 252 1 1 . 1 1 47 47 GLU N N 47 120.906 120.906 119.349 1.557 25483 253 1 1 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.067 -0.014 25483 254 1 1 . 1 1 47 47 GLU C C 47 178.039 178.039 179.344 -1.305 25483 255 1 1 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.013 0.487 25483 256 1 1 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.452 0.359 25483 257 1 1 . 1 1 47 47 GLU H H 47 7.918 7.918 7.651 0.267 25483 258 1 1 . 1 1 48 48 MET N N 48 118.645 118.645 118.396 0.249 25483 259 1 1 . 1 1 48 48 MET HA H 48 2.897 2.897 4.213 -1.316 25483 260 1 1 . 1 1 48 48 MET C C 48 180.282 180.282 178.355 1.927 25483 261 1 1 . 1 1 48 48 MET CA C 48 59.540 59.540 57.531 2.009 25483 262 1 1 . 1 1 48 48 MET CB C 48 33.502 33.502 32.127 1.375 25483 263 1 1 . 1 1 48 48 MET H H 48 8.047 8.047 8.418 -0.371 25483 264 1 1 . 1 1 49 49 GLN N N 49 122.104 122.104 118.375 3.729 25483 265 1 1 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.084 0.255 25483 266 1 1 . 1 1 49 49 GLN C C 49 178.780 178.780 177.548 1.232 25483 267 1 1 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.608 0.136 25483 268 1 1 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.645 -0.407 25483 269 1 1 . 1 1 49 49 GLN H H 49 8.237 8.237 7.924 0.313 25483 270 1 1 . 1 1 50 50 GLU N N 50 121.947 121.947 118.448 3.499 25483 271 1 1 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.194 -0.225 25483 272 1 1 . 1 1 50 50 GLU C C 50 178.863 178.863 177.789 1.074 25483 273 1 1 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.111 1.020 25483 274 1 1 . 1 1 50 50 GLU CB C 50 29.719 29.719 30.134 -0.415 25483 275 1 1 . 1 1 50 50 GLU H H 50 8.659 8.659 7.732 0.927 25483 276 1 1 . 1 1 51 51 ARG N N 51 115.832 115.832 118.138 -2.306 25483 277 1 1 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.474 -0.414 25483 278 1 1 . 1 1 51 51 ARG C C 51 177.748 177.748 176.223 1.525 25483 279 1 1 . 1 1 51 51 ARG CA C 51 58.480 58.480 55.096 3.385 25483 280 1 1 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.119 1.039 25483 281 1 1 . 1 1 51 51 ARG H H 51 8.231 8.231 7.566 0.665 25483 282 1 1 . 1 1 52 52 SER N N 52 109.790 109.790 115.592 -5.802 25483 283 1 1 . 1 1 52 52 SER HA H 52 3.759 3.759 4.358 -0.599 25483 284 1 1 . 1 1 52 52 SER C C 52 174.149 174.149 173.986 0.163 25483 285 1 1 . 1 1 52 52 SER CA C 52 58.883 58.883 58.322 0.561 25483 286 1 1 . 1 1 52 52 SER CB C 52 66.744 66.744 64.259 2.485 25483 287 1 1 . 1 1 52 52 SER H H 52 8.032 8.032 7.400 0.632 25483 288 1 1 . 1 1 53 53 GLY N N 53 112.524 112.524 111.124 1.400 25483 289 1 1 . 1 1 53 53 GLY C C 53 173.690 173.690 173.848 -0.158 25483 290 1 1 . 1 1 53 53 GLY CA C 53 46.093 46.093 45.225 0.868 25483 291 1 1 . 1 1 53 53 GLY H H 53 8.239 8.239 8.071 0.168 25483 292 1 1 . 1 1 54 54 ARG N N 54 119.453 119.453 122.569 -3.116 25483 293 1 1 . 1 1 54 54 ARG HA H 54 4.653 4.653 3.789 0.864 25483 294 1 1 . 1 1 54 54 ARG C C 54 174.144 174.144 175.386 -1.242 25483 295 1 1 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.831 -2.171 25483 296 1 1 . 1 1 54 54 ARG CB C 54 35.255 35.255 28.822 6.433 25483 297 1 1 . 1 1 54 54 ARG H H 54 8.309 8.309 8.833 -0.524 25483 298 1 1 . 1 1 55 55 ASN N N 55 112.521 112.521 112.390 0.131 25483 299 1 1 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.318 0.375 25483 300 1 1 . 1 1 55 55 ASN C C 55 175.197 175.197 175.411 -0.214 25483 301 1 1 . 1 1 55 55 ASN CA C 55 51.681 51.681 53.881 -2.200 25483 302 1 1 . 1 1 55 55 ASN CB C 55 39.468 39.468 36.993 2.475 25483 303 1 1 . 1 1 55 55 ASN H H 55 8.154 8.154 8.456 -0.302 25483 304 1 1 . 1 1 56 56 THR N N 56 107.919 107.919 114.108 -6.189 25483 305 1 1 . 1 1 56 56 THR HA H 56 4.356 4.356 3.934 0.422 25483 306 1 1 . 1 1 56 56 THR C C 56 172.477 172.477 174.503 -2.026 25483 307 1 1 . 1 1 56 56 THR CA C 56 59.438 59.438 63.300 -3.862 25483 308 1 1 . 1 1 56 56 THR CB C 56 70.636 70.636 69.582 1.054 25483 309 1 1 . 1 1 56 56 THR H H 56 6.778 6.778 7.565 -0.787 25483 310 1 1 . 1 1 57 57 PHE N N 57 117.789 117.789 119.012 -1.223 25483 311 1 1 . 1 1 57 57 PHE HA H 57 4.725 4.725 4.534 0.191 25483 312 1 1 . 1 1 57 57 PHE C C 57 174.241 174.241 174.721 -0.480 25483 313 1 1 . 1 1 57 57 PHE CA C 57 55.088 55.088 55.236 -0.148 25483 314 1 1 . 1 1 57 57 PHE CB C 57 43.506 43.506 37.098 6.408 25483 315 1 1 . 1 1 57 57 PHE H H 57 8.469 8.469 7.807 0.662 25483 316 1 1 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.478 1.135 25483 317 1 1 . 1 1 58 58 PRO C C 58 177.062 177.062 175.893 1.169 25483 318 1 1 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.803 0.379 25483 319 1 1 . 1 1 58 58 PRO CB C 58 36.461 36.461 32.754 3.707 25483 320 1 1 . 1 1 59 59 GLN N N 59 112.113 112.113 116.104 -3.991 25483 321 1 1 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.725 0.095 25483 322 1 1 . 1 1 59 59 GLN C C 59 175.655 175.655 175.303 0.352 25483 323 1 1 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.161 1.006 25483 324 1 1 . 1 1 59 59 GLN CB C 59 31.479 31.479 31.490 -0.011 25483 325 1 1 . 1 1 59 59 GLN H H 59 8.041 8.041 8.078 -0.037 25483 326 1 1 . 1 1 60 60 ILE N N 60 123.134 123.134 120.440 2.694 25483 327 1 1 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.831 0.127 25483 328 1 1 . 1 1 60 60 ILE C C 60 174.350 174.350 174.358 -0.008 25483 329 1 1 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.071 2.103 25483 330 1 1 . 1 1 60 60 ILE CB C 60 40.828 40.828 40.048 0.780 25483 331 1 1 . 1 1 60 60 ILE H H 60 8.940 8.940 7.823 1.117 25483 332 1 1 . 1 1 61 61 PHE N N 61 128.163 128.163 123.258 4.905 25483 333 1 1 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.778 0.615 25483 334 1 1 . 1 1 61 61 PHE C C 61 174.659 174.659 174.463 0.196 25483 335 1 1 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.805 -0.159 25483 336 1 1 . 1 1 61 61 PHE CB C 61 41.735 41.735 42.809 -1.074 25483 337 1 1 . 1 1 61 61 PHE H H 61 9.645 9.645 9.141 0.504 25483 338 1 1 . 1 1 62 62 ILE N N 62 122.592 122.592 120.171 2.421 25483 339 1 1 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.767 -0.137 25483 340 1 1 . 1 1 62 62 ILE C C 62 175.360 175.360 176.167 -0.807 25483 341 1 1 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.628 1.380 25483 342 1 1 . 1 1 62 62 ILE CB C 62 39.569 39.569 38.799 0.770 25483 343 1 1 . 1 1 62 62 ILE H H 62 9.066 9.066 8.100 0.966 25483 344 1 1 . 1 1 63 63 GLY N N 63 116.263 116.263 118.179 -1.916 25483 345 1 1 . 1 1 63 63 GLY C C 63 175.630 175.630 175.104 0.526 25483 346 1 1 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.636 0.617 25483 347 1 1 . 1 1 63 63 GLY H H 63 9.307 9.307 8.518 0.789 25483 348 1 1 . 1 1 64 64 SER N N 64 122.053 122.053 118.619 3.434 25483 349 1 1 . 1 1 64 64 SER HA H 64 4.566 4.566 4.783 -0.217 25483 350 1 1 . 1 1 64 64 SER C C 64 173.891 173.891 173.550 0.341 25483 351 1 1 . 1 1 64 64 SER CA C 64 59.071 59.071 58.449 0.622 25483 352 1 1 . 1 1 64 64 SER CB C 64 63.895 63.895 63.698 0.197 25483 353 1 1 . 1 1 64 64 SER H H 64 9.236 9.236 8.588 0.648 25483 354 1 1 . 1 1 65 65 VAL N N 65 124.553 124.553 122.057 2.496 25483 355 1 1 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.421 -0.344 25483 356 1 1 . 1 1 65 65 VAL C C 65 175.294 175.294 174.327 0.967 25483 357 1 1 . 1 1 65 65 VAL CA C 65 62.735 62.735 60.802 1.933 25483 358 1 1 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.653 -1.575 25483 359 1 1 . 1 1 65 65 VAL H H 65 8.494 8.494 7.992 0.502 25483 360 1 1 . 1 1 66 66 HIS N N 66 102.561 102.561 123.994 -21.433 25483 361 1 1 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.399 -0.037 25483 362 1 1 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.724 -1.111 25483 363 1 1 . 1 1 66 66 HIS CB C 66 30.941 30.941 31.507 -0.566 25483 364 1 1 . 1 1 66 66 HIS H H 66 8.966 8.966 8.559 0.407 25483 365 1 1 . 1 1 67 67 VAL N N 67 130.151 130.151 122.523 7.628 25483 366 1 1 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.321 -0.891 25483 367 1 1 . 1 1 67 67 VAL C C 67 174.677 174.677 176.034 -1.357 25483 368 1 1 . 1 1 67 67 VAL CA C 67 64.029 64.029 61.417 2.612 25483 369 1 1 . 1 1 67 67 VAL CB C 67 32.426 32.426 35.694 -3.268 25483 370 1 1 . 1 1 67 67 VAL H H 67 8.214 8.214 7.311 0.903 25483 371 1 1 . 1 1 68 68 GLY N N 68 102.768 102.768 112.897 -10.129 25483 372 1 1 . 1 1 68 68 GLY C C 68 173.023 173.023 174.749 -1.726 25483 373 1 1 . 1 1 68 68 GLY CA C 68 43.780 43.780 46.968 -3.188 25483 374 1 1 . 1 1 68 68 GLY H H 68 6.436 6.436 8.899 -2.463 25483 375 1 1 . 1 1 69 69 GLY N N 69 110.061 110.061 107.489 2.572 25483 376 1 1 . 1 1 69 69 GLY C C 69 175.375 175.375 174.425 0.950 25483 377 1 1 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.851 -0.928 25483 378 1 1 . 1 1 69 69 GLY H H 69 9.004 9.004 7.428 1.576 25483 379 1 1 . 1 1 70 70 SER N N 70 113.592 113.592 116.941 -3.349 25483 380 1 1 . 1 1 70 70 SER HA H 70 3.894 3.894 4.010 -0.116 25483 381 1 1 . 1 1 70 70 SER CA C 70 62.816 62.816 62.109 0.707 25483 382 1 1 . 1 1 70 70 SER H H 70 8.088 8.088 8.088 0.000 25483 383 1 1 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.128 0.276 25483 384 1 1 . 1 1 71 71 ASP C C 71 179.115 179.115 177.941 1.174 25483 385 1 1 . 1 1 71 71 ASP CA C 71 57.610 57.610 56.873 0.737 25483 386 1 1 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.198 -0.873 25483 387 1 1 . 1 1 72 72 ASP N N 72 119.325 119.325 120.151 -0.826 25483 388 1 1 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.442 -0.096 25483 389 1 1 . 1 1 72 72 ASP C C 72 177.816 177.816 178.347 -0.531 25483 390 1 1 . 1 1 72 72 ASP CA C 72 57.213 57.213 57.904 -0.691 25483 391 1 1 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.866 0.543 25483 392 1 1 . 1 1 72 72 ASP H H 72 7.232 7.232 8.007 -0.775 25483 393 1 1 . 1 1 73 73 LEU N N 73 121.336 121.336 121.727 -0.391 25483 394 1 1 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.811 -0.038 25483 395 1 1 . 1 1 73 73 LEU C C 73 177.957 177.957 178.390 -0.433 25483 396 1 1 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.112 0.242 25483 397 1 1 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.967 0.209 25483 398 1 1 . 1 1 73 73 LEU H H 73 7.789 7.789 8.140 -0.351 25483 399 1 1 . 1 1 74 74 TYR N N 74 116.570 116.570 117.315 -0.745 25483 400 1 1 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.237 -0.488 25483 401 1 1 . 1 1 74 74 TYR C C 74 178.275 178.275 177.865 0.410 25483 402 1 1 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.258 1.440 25483 403 1 1 . 1 1 74 74 TYR CB C 74 37.511 37.511 38.148 -0.637 25483 404 1 1 . 1 1 74 74 TYR H H 74 8.318 8.318 8.341 -0.023 25483 405 1 1 . 1 1 75 75 ALA N N 75 122.593 122.593 122.571 0.022 25483 406 1 1 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.949 0.306 25483 407 1 1 . 1 1 75 75 ALA C C 75 180.162 180.162 179.257 0.905 25483 408 1 1 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.309 0.294 25483 409 1 1 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.180 -0.551 25483 410 1 1 . 1 1 75 75 ALA H H 75 8.082 8.082 7.777 0.305 25483 411 1 1 . 1 1 76 76 LEU N N 76 116.647 116.647 118.261 -1.614 25483 412 1 1 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.931 0.124 25483 413 1 1 . 1 1 76 76 LEU C C 76 179.538 179.538 179.106 0.432 25483 414 1 1 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.818 0.038 25483 415 1 1 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.370 1.307 25483 416 1 1 . 1 1 76 76 LEU H H 76 7.389 7.389 8.463 -1.074 25483 417 1 1 . 1 1 77 77 GLU N N 77 121.342 121.342 119.655 1.687 25483 418 1 1 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.955 0.642 25483 419 1 1 . 1 1 77 77 GLU C C 77 179.674 179.674 178.972 0.702 25483 420 1 1 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.523 -1.492 25483 421 1 1 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.112 -0.995 25483 422 1 1 . 1 1 77 77 GLU H H 77 7.461 7.461 7.642 -0.181 25483 423 1 1 . 1 1 78 78 ASP N N 78 123.339 123.339 119.657 3.682 25483 424 1 1 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.525 -0.074 25483 425 1 1 . 1 1 78 78 ASP C C 78 178.412 178.412 178.262 0.150 25483 426 1 1 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.736 0.734 25483 427 1 1 . 1 1 78 78 ASP CB C 78 40.544 40.544 41.242 -0.698 25483 428 1 1 . 1 1 78 78 ASP H H 78 8.650 8.650 7.726 0.924 25483 429 1 1 . 1 1 79 79 GLU N N 79 115.360 115.360 117.296 -1.936 25483 430 1 1 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.173 0.159 25483 431 1 1 . 1 1 79 79 GLU C C 79 176.861 176.861 177.863 -1.002 25483 432 1 1 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.084 -0.769 25483 433 1 1 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.395 0.306 25483 434 1 1 . 1 1 79 79 GLU H H 79 7.791 7.791 8.118 -0.327 25483 435 1 1 . 1 1 80 80 GLY N N 80 108.851 108.851 107.014 1.837 25483 436 1 1 . 1 1 80 80 GLY C C 80 176.085 176.085 174.304 1.781 25483 437 1 1 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.114 1.127 25483 438 1 1 . 1 1 80 80 GLY H H 80 8.078 8.078 8.245 -0.167 25483 439 1 1 . 1 1 81 81 LYS N N 81 116.858 116.858 119.119 -2.261 25483 440 1 1 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.682 -0.237 25483 441 1 1 . 1 1 81 81 LYS C C 81 176.789 176.789 175.628 1.161 25483 442 1 1 . 1 1 81 81 LYS CA C 81 56.568 56.568 54.891 1.677 25483 443 1 1 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.661 2.343 25483 444 1 1 . 1 1 81 81 LYS H H 81 8.216 8.216 8.422 -0.206 25483 445 1 1 . 1 1 82 82 LEU N N 82 122.543 122.543 115.628 6.915 25483 446 1 1 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.326 -0.285 25483 447 1 1 . 1 1 82 82 LEU C C 82 177.466 177.466 177.422 0.044 25483 448 1 1 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.286 0.211 25483 449 1 1 . 1 1 82 82 LEU CB C 82 40.489 40.489 42.506 -2.017 25483 450 1 1 . 1 1 82 82 LEU H H 82 7.516 7.516 7.874 -0.358 25483 451 1 1 . 1 1 83 83 ASP N N 83 119.643 119.643 119.842 -0.199 25483 452 1 1 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.285 0.021 25483 453 1 1 . 1 1 83 83 ASP C C 83 178.744 178.744 178.073 0.671 25483 454 1 1 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.830 0.908 25483 455 1 1 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.518 -0.564 25483 456 1 1 . 1 1 83 83 ASP H H 83 8.662 8.662 8.642 0.020 25483 457 1 1 . 1 1 84 84 SER N N 84 113.208 113.208 114.638 -1.430 25483 458 1 1 . 1 1 84 84 SER HA H 84 4.266 4.266 4.248 0.018 25483 459 1 1 . 1 1 84 84 SER C C 84 177.581 177.581 176.626 0.955 25483 460 1 1 . 1 1 84 84 SER CA C 84 61.483 61.483 61.214 0.269 25483 461 1 1 . 1 1 84 84 SER CB C 84 62.667 62.667 62.962 -0.295 25483 462 1 1 . 1 1 84 84 SER H H 84 8.425 8.425 8.553 -0.128 25483 463 1 1 . 1 1 85 85 LEU N N 85 126.393 126.393 122.564 3.829 25483 464 1 1 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.245 0.110 25483 465 1 1 . 1 1 85 85 LEU C C 85 178.692 178.692 176.899 1.793 25483 466 1 1 . 1 1 85 85 LEU CA C 85 58.409 58.409 57.691 0.717 25483 467 1 1 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.438 -0.923 25483 468 1 1 . 1 1 85 85 LEU H H 85 7.577 7.577 7.652 -0.075 25483 469 1 1 . 1 1 86 86 LEU N N 86 117.833 117.833 112.842 4.991 25483 470 1 1 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.246 -0.363 25483 471 1 1 . 1 1 86 86 LEU C C 86 177.470 177.470 178.866 -1.396 25483 472 1 1 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.766 1.016 25483 473 1 1 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.298 0.504 25483 474 1 1 . 1 1 86 86 LEU H H 86 8.406 8.406 8.193 0.213 25483 475 1 1 . 1 1 87 87 LYS N N 87 113.997 113.997 117.902 -3.905 25483 476 1 1 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.378 0.011 25483 477 1 1 . 1 1 87 87 LYS C C 87 178.282 178.282 177.384 0.898 25483 478 1 1 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.359 -0.025 25483 479 1 1 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.908 0.005 25483 480 1 1 . 1 1 87 87 LYS H H 87 7.548 7.548 7.608 -0.060 25483 481 1 1 . 1 1 88 88 THR N N 88 106.050 106.050 108.163 -2.113 25483 482 1 1 . 1 1 88 88 THR HA H 88 4.545 4.545 4.484 0.061 25483 483 1 1 . 1 1 88 88 THR C C 88 176.566 176.566 174.250 2.316 25483 484 1 1 . 1 1 88 88 THR CA C 88 62.396 62.396 62.773 -0.377 25483 485 1 1 . 1 1 88 88 THR CB C 88 72.438 72.438 72.069 0.369 25483 486 1 1 . 1 1 88 88 THR H H 88 8.178 8.178 7.941 0.237 25483 487 1 1 . 1 1 89 89 GLY N N 89 112.811 112.811 113.045 -0.234 25483 488 1 1 . 1 1 89 89 GLY C C 89 171.985 171.985 173.103 -1.118 25483 489 1 1 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.416 1.400 25483 490 1 1 . 1 1 89 89 GLY H H 89 9.153 9.153 8.157 0.996 25483 491 1 1 . 1 1 90 90 LYS N N 90 117.650 117.650 119.056 -1.406 25483 492 1 1 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.642 -0.132 25483 493 1 1 . 1 1 90 90 LYS C C 90 174.330 174.330 175.964 -1.634 25483 494 1 1 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.618 -0.009 25483 495 1 1 . 1 1 90 90 LYS CB C 90 35.701 35.701 34.483 1.218 25483 496 1 1 . 1 1 90 90 LYS H H 90 7.940 7.940 7.758 0.182 25483 497 1 1 . 1 1 91 91 LEU N N 91 123.149 123.149 117.128 6.021 25483 498 1 1 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.676 -0.207 25483 499 1 1 . 1 1 91 91 LEU C C 91 175.848 175.848 177.294 -1.446 25483 500 1 1 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.204 -0.604 25483 501 1 1 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.053 0.958 25483 502 1 1 . 1 1 91 91 LEU H H 91 8.501 8.501 8.215 0.286 25483 503 1 2 . 1 1 3 3 GLY N N 3 110.312 110.312 108.793 1.519 25483 504 1 2 . 1 1 3 3 GLY C C 3 174.169 174.169 173.741 0.428 25483 505 1 2 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.681 0.793 25483 506 1 2 . 1 1 3 3 GLY H H 3 8.679 8.679 8.947 -0.268 25483 507 1 2 . 1 1 4 4 SER N N 4 115.617 115.617 113.806 1.811 25483 508 1 2 . 1 1 4 4 SER HA H 4 4.499 4.499 5.170 -0.671 25483 509 1 2 . 1 1 4 4 SER C C 4 174.408 174.408 173.910 0.498 25483 510 1 2 . 1 1 4 4 SER CA C 4 58.541 58.541 57.736 0.805 25483 511 1 2 . 1 1 4 4 SER CB C 4 63.920 63.920 66.059 -2.139 25483 512 1 2 . 1 1 4 4 SER H H 4 8.237 8.237 8.511 -0.274 25483 513 1 2 . 1 1 5 5 MET N N 5 121.390 121.390 121.473 -0.083 25483 514 1 2 . 1 1 5 5 MET HA H 5 4.702 4.702 4.810 -0.108 25483 515 1 2 . 1 1 5 5 MET C C 5 176.122 176.122 174.537 1.585 25483 516 1 2 . 1 1 5 5 MET CA C 5 55.600 55.600 54.574 1.026 25483 517 1 2 . 1 1 5 5 MET CB C 5 34.357 34.357 34.446 -0.089 25483 518 1 2 . 1 1 5 5 MET H H 5 8.309 8.309 8.500 -0.191 25483 519 1 2 . 1 1 6 6 VAL N N 6 117.990 117.990 119.756 -1.766 25483 520 1 2 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.352 -0.151 25483 521 1 2 . 1 1 6 6 VAL C C 6 174.450 174.450 174.948 -0.498 25483 522 1 2 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.933 0.485 25483 523 1 2 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.420 0.165 25483 524 1 2 . 1 1 6 6 VAL H H 6 8.175 8.175 8.441 -0.266 25483 525 1 2 . 1 1 7 7 ASP N N 7 121.785 121.785 118.240 3.545 25483 526 1 2 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.764 -0.196 25483 527 1 2 . 1 1 7 7 ASP C C 7 175.866 175.866 175.156 0.710 25483 528 1 2 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.174 1.994 25483 529 1 2 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.456 -1.857 25483 530 1 2 . 1 1 7 7 ASP H H 7 8.332 8.332 8.286 0.046 25483 531 1 2 . 1 1 8 8 VAL N N 8 124.023 124.023 122.755 1.268 25483 532 1 2 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.776 0.222 25483 533 1 2 . 1 1 8 8 VAL C C 8 174.859 174.859 175.780 -0.921 25483 534 1 2 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.738 -1.277 25483 535 1 2 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.222 1.099 25483 536 1 2 . 1 1 8 8 VAL H H 8 8.658 8.658 8.613 0.045 25483 537 1 2 . 1 1 9 9 ILE N N 9 129.744 129.744 127.638 2.106 25483 538 1 2 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.759 0.252 25483 539 1 2 . 1 1 9 9 ILE C C 9 174.323 174.323 174.199 0.124 25483 540 1 2 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.328 -0.631 25483 541 1 2 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.164 -0.885 25483 542 1 2 . 1 1 9 9 ILE H H 9 9.306 9.306 8.508 0.798 25483 543 1 2 . 1 1 10 10 ILE N N 10 123.657 123.657 122.891 0.766 25483 544 1 2 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.197 0.202 25483 545 1 2 . 1 1 10 10 ILE C C 10 173.066 173.066 173.919 -0.853 25483 546 1 2 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.517 -0.028 25483 547 1 2 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.419 -0.622 25483 548 1 2 . 1 1 10 10 ILE H H 10 8.734 8.734 8.919 -0.185 25483 549 1 2 . 1 1 11 11 TYR N N 11 128.973 128.973 127.917 1.056 25483 550 1 2 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.745 0.942 25483 551 1 2 . 1 1 11 11 TYR C C 11 176.756 176.756 174.643 2.113 25483 552 1 2 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.248 -0.840 25483 553 1 2 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.754 1.530 25483 554 1 2 . 1 1 11 11 TYR H H 11 9.292 9.292 8.800 0.492 25483 555 1 2 . 1 1 12 12 THR N N 12 112.725 112.725 116.187 -3.462 25483 556 1 2 . 1 1 12 12 THR HA H 12 5.732 5.732 4.565 1.167 25483 557 1 2 . 1 1 12 12 THR C C 12 172.866 172.866 173.088 -0.222 25483 558 1 2 . 1 1 12 12 THR CA C 12 59.671 59.671 61.262 -1.591 25483 559 1 2 . 1 1 12 12 THR CB C 12 72.735 72.735 70.834 1.901 25483 560 1 2 . 1 1 12 12 THR H H 12 9.253 9.253 8.035 1.218 25483 561 1 2 . 1 1 13 13 ARG N N 13 116.857 116.857 122.013 -5.156 25483 562 1 2 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.393 0.392 25483 563 1 2 . 1 1 13 13 ARG C C 13 173.407 173.407 175.602 -2.195 25483 564 1 2 . 1 1 13 13 ARG CA C 13 53.254 53.254 55.084 -1.830 25483 565 1 2 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.136 1.461 25483 566 1 2 . 1 1 13 13 ARG H H 13 8.695 8.695 8.330 0.365 25483 567 1 2 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.352 -0.191 25483 568 1 2 . 1 1 14 14 PRO C C 14 177.642 177.642 176.013 1.629 25483 569 1 2 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.340 -5.362 25483 570 1 2 . 1 1 14 14 PRO CB C 14 30.197 30.197 32.320 -2.123 25483 571 1 2 . 1 1 15 15 GLY N N 15 108.958 108.958 105.661 3.297 25483 572 1 2 . 1 1 15 15 GLY C C 15 173.520 173.520 173.177 0.343 25483 573 1 2 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.118 0.915 25483 574 1 2 . 1 1 15 15 GLY H H 15 8.534 8.534 7.650 0.884 25483 575 1 2 . 1 1 16 16 CYS N N 16 122.701 122.701 121.175 1.526 25483 576 1 2 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.566 0.469 25483 577 1 2 . 1 1 16 16 CYS C C 16 175.994 175.994 173.465 2.529 25483 578 1 2 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.507 -4.289 25483 579 1 2 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.237 4.477 25483 580 1 2 . 1 1 16 16 CYS H H 16 7.476 7.476 8.649 -1.173 25483 581 1 2 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.123 0.217 25483 582 1 2 . 1 1 17 17 PRO C C 17 178.531 178.531 176.405 2.126 25483 583 1 2 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.621 1.910 25483 584 1 2 . 1 1 17 17 PRO CB C 17 32.140 32.140 31.949 0.191 25483 585 1 2 . 1 1 18 18 TYR N N 18 121.799 121.799 118.778 3.021 25483 586 1 2 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.720 -0.298 25483 587 1 2 . 1 1 18 18 TYR C C 18 178.508 178.508 176.082 2.426 25483 588 1 2 . 1 1 18 18 TYR CA C 18 61.076 61.076 56.462 4.614 25483 589 1 2 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.332 2.101 25483 590 1 2 . 1 1 18 18 TYR H H 18 8.148 8.148 8.508 -0.360 25483 591 1 2 . 1 1 19 19 CYS N N 19 122.966 122.966 118.868 4.098 25483 592 1 2 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.680 -0.678 25483 593 1 2 . 1 1 19 19 CYS C C 19 177.642 177.642 175.691 1.951 25483 594 1 2 . 1 1 19 19 CYS CA C 19 64.471 64.471 55.767 8.704 25483 595 1 2 . 1 1 19 19 CYS CB C 19 31.017 31.017 26.686 4.331 25483 596 1 2 . 1 1 19 19 CYS H H 19 7.833 7.833 7.910 -0.077 25483 597 1 2 . 1 1 20 20 ALA N N 20 121.738 121.738 124.868 -3.130 25483 598 1 2 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.220 -0.070 25483 599 1 2 . 1 1 20 20 ALA C C 20 180.531 180.531 179.115 1.416 25483 600 1 2 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.065 1.519 25483 601 1 2 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.880 -0.851 25483 602 1 2 . 1 1 20 20 ALA H H 20 7.080 7.080 8.501 -1.421 25483 603 1 2 . 1 1 21 21 ARG N N 21 119.812 119.812 119.278 0.534 25483 604 1 2 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.116 0.126 25483 605 1 2 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.475 -1.550 25483 606 1 2 . 1 1 21 21 ARG CB C 21 29.868 29.868 30.066 -0.198 25483 607 1 2 . 1 1 21 21 ARG H H 21 8.039 8.039 7.985 0.054 25483 608 1 2 . 1 1 22 22 ALA N N 22 124.459 124.459 120.682 3.777 25483 609 1 2 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.850 0.290 25483 610 1 2 . 1 1 22 22 ALA C C 22 178.267 178.267 179.705 -1.438 25483 611 1 2 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.763 0.908 25483 612 1 2 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.034 1.191 25483 613 1 2 . 1 1 22 22 ALA H H 22 7.768 7.768 8.425 -0.657 25483 614 1 2 . 1 1 23 23 LYS N N 23 116.014 116.014 116.622 -0.608 25483 615 1 2 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.854 -0.553 25483 616 1 2 . 1 1 23 23 LYS C C 23 177.995 177.995 178.220 -0.225 25483 617 1 2 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.366 3.356 25483 618 1 2 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.759 -0.109 25483 619 1 2 . 1 1 23 23 LYS H H 23 7.984 7.984 7.587 0.397 25483 620 1 2 . 1 1 24 24 ALA N N 24 120.042 120.042 122.913 -2.871 25483 621 1 2 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.109 0.101 25483 622 1 2 . 1 1 24 24 ALA C C 24 180.610 180.610 179.832 0.778 25483 623 1 2 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.969 -0.104 25483 624 1 2 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.081 -0.145 25483 625 1 2 . 1 1 24 24 ALA H H 24 8.040 8.040 7.334 0.706 25483 626 1 2 . 1 1 25 25 LEU N N 25 119.514 119.514 118.980 0.534 25483 627 1 2 . 1 1 25 25 LEU HA H 25 4.152 4.152 4.102 0.050 25483 628 1 2 . 1 1 25 25 LEU C C 25 177.834 177.834 178.547 -0.713 25483 629 1 2 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.776 -0.088 25483 630 1 2 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.990 -1.255 25483 631 1 2 . 1 1 25 25 LEU H H 25 7.150 7.150 7.401 -0.251 25483 632 1 2 . 1 1 26 26 LEU N N 26 117.253 117.253 118.200 -0.947 25483 633 1 2 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.955 -0.202 25483 634 1 2 . 1 1 26 26 LEU C C 26 178.553 178.553 178.734 -0.181 25483 635 1 2 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.868 0.607 25483 636 1 2 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.529 -0.465 25483 637 1 2 . 1 1 26 26 LEU H H 26 7.576 7.576 7.367 0.209 25483 638 1 2 . 1 1 27 27 ALA N N 27 119.606 119.606 118.186 1.420 25483 639 1 2 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.333 0.008 25483 640 1 2 . 1 1 27 27 ALA C C 27 182.219 182.219 178.293 3.926 25483 641 1 2 . 1 1 27 27 ALA CA C 27 55.326 55.326 53.516 1.810 25483 642 1 2 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.764 -0.656 25483 643 1 2 . 1 1 27 27 ALA H H 27 8.629 8.629 7.699 0.930 25483 644 1 2 . 1 1 28 28 ARG N N 28 121.081 121.081 118.612 2.469 25483 645 1 2 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.241 -0.076 25483 646 1 2 . 1 1 28 28 ARG C C 28 178.659 178.659 177.703 0.956 25483 647 1 2 . 1 1 28 28 ARG CA C 28 59.181 59.181 57.973 1.208 25483 648 1 2 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.940 -1.020 25483 649 1 2 . 1 1 28 28 ARG H H 28 7.992 7.992 7.837 0.155 25483 650 1 2 . 1 1 29 29 LYS N N 29 115.790 115.790 116.525 -0.735 25483 651 1 2 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.471 -0.237 25483 652 1 2 . 1 1 29 29 LYS C C 29 176.666 176.666 176.044 0.622 25483 653 1 2 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.573 -0.628 25483 654 1 2 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.516 -1.075 25483 655 1 2 . 1 1 29 29 LYS H H 29 7.663 7.663 7.627 0.036 25483 656 1 2 . 1 1 30 30 GLY N N 30 107.767 107.767 108.620 -0.853 25483 657 1 2 . 1 1 30 30 GLY C C 30 174.014 174.014 174.886 -0.872 25483 658 1 2 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.825 -0.420 25483 659 1 2 . 1 1 30 30 GLY H H 30 7.930 7.930 7.600 0.330 25483 660 1 2 . 1 1 31 31 ALA N N 31 122.192 122.192 120.715 1.477 25483 661 1 2 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.227 0.276 25483 662 1 2 . 1 1 31 31 ALA C C 31 176.691 176.691 176.555 0.136 25483 663 1 2 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.533 -0.902 25483 664 1 2 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.093 -0.155 25483 665 1 2 . 1 1 31 31 ALA H H 31 7.844 7.844 7.673 0.171 25483 666 1 2 . 1 1 32 32 GLU N N 32 123.903 123.903 120.521 3.382 25483 667 1 2 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.108 0.127 25483 668 1 2 . 1 1 32 32 GLU C C 32 176.080 176.080 175.055 1.025 25483 669 1 2 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.899 -0.164 25483 670 1 2 . 1 1 32 32 GLU CB C 32 29.777 29.777 31.195 -1.418 25483 671 1 2 . 1 1 32 32 GLU H H 32 8.337 8.337 8.458 -0.121 25483 672 1 2 . 1 1 33 33 PHE N N 33 116.634 116.634 117.743 -1.109 25483 673 1 2 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.296 -0.064 25483 674 1 2 . 1 1 33 33 PHE C C 33 173.397 173.397 173.578 -0.181 25483 675 1 2 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.726 -0.505 25483 676 1 2 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.235 0.273 25483 677 1 2 . 1 1 33 33 PHE H H 33 7.640 7.640 7.549 0.091 25483 678 1 2 . 1 1 34 34 ASN N N 34 120.133 120.133 120.078 0.055 25483 679 1 2 . 1 1 34 34 ASN HA H 34 4.971 4.971 5.030 -0.059 25483 680 1 2 . 1 1 34 34 ASN C C 34 173.199 173.199 174.350 -1.151 25483 681 1 2 . 1 1 34 34 ASN CA C 34 52.180 52.180 51.534 0.646 25483 682 1 2 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.374 -1.534 25483 683 1 2 . 1 1 34 34 ASN H H 34 8.921 8.921 8.482 0.439 25483 684 1 2 . 1 1 35 35 GLU N N 35 126.204 126.204 123.844 2.360 25483 685 1 2 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.680 0.498 25483 686 1 2 . 1 1 35 35 GLU C C 35 175.185 175.185 175.871 -0.686 25483 687 1 2 . 1 1 35 35 GLU CA C 35 54.551 54.551 55.925 -1.374 25483 688 1 2 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.399 0.038 25483 689 1 2 . 1 1 35 35 GLU H H 35 8.758 8.758 8.751 0.007 25483 690 1 2 . 1 1 36 36 ILE N N 36 130.012 130.012 121.439 8.573 25483 691 1 2 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.145 0.016 25483 692 1 2 . 1 1 36 36 ILE C C 36 174.987 174.987 174.119 0.868 25483 693 1 2 . 1 1 36 36 ILE CA C 36 60.183 60.183 60.158 0.025 25483 694 1 2 . 1 1 36 36 ILE CB C 36 40.273 40.273 40.144 0.129 25483 695 1 2 . 1 1 36 36 ILE H H 36 9.080 9.080 7.902 1.178 25483 696 1 2 . 1 1 37 37 ASP N N 37 125.921 125.921 129.085 -3.164 25483 697 1 2 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.486 0.516 25483 698 1 2 . 1 1 37 37 ASP C C 37 176.847 176.847 175.517 1.330 25483 699 1 2 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.810 -1.932 25483 700 1 2 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.749 -1.459 25483 701 1 2 . 1 1 37 37 ASP H H 37 8.515 8.515 8.541 -0.026 25483 702 1 2 . 1 1 38 38 ALA N N 38 130.525 130.525 127.014 3.511 25483 703 1 2 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.458 0.200 25483 704 1 2 . 1 1 38 38 ALA C C 38 175.507 175.507 176.652 -1.145 25483 705 1 2 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.469 0.451 25483 706 1 2 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.698 -0.086 25483 707 1 2 . 1 1 38 38 ALA H H 38 8.845 8.845 7.792 1.053 25483 708 1 2 . 1 1 39 39 SER N N 39 111.653 111.653 112.175 -0.522 25483 709 1 2 . 1 1 39 39 SER HA H 39 4.425 4.425 4.147 0.278 25483 710 1 2 . 1 1 39 39 SER C C 39 176.988 176.988 174.446 2.542 25483 711 1 2 . 1 1 39 39 SER CA C 39 59.504 59.504 59.365 0.139 25483 712 1 2 . 1 1 39 39 SER CB C 39 64.768 64.768 62.629 2.139 25483 713 1 2 . 1 1 39 39 SER H H 39 8.727 8.727 8.891 -0.164 25483 714 1 2 . 1 1 40 40 ALA N N 40 124.164 124.164 120.289 3.875 25483 715 1 2 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.489 -0.260 25483 716 1 2 . 1 1 40 40 ALA C C 40 178.039 178.039 176.976 1.063 25483 717 1 2 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.567 2.280 25483 718 1 2 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.104 0.274 25483 719 1 2 . 1 1 40 40 ALA H H 40 7.543 7.543 8.289 -0.746 25483 720 1 2 . 1 1 41 41 THR N N 41 106.060 106.060 113.552 -7.492 25483 721 1 2 . 1 1 41 41 THR HA H 41 5.006 5.006 4.838 0.168 25483 722 1 2 . 1 1 41 41 THR C C 41 173.200 173.200 172.992 0.208 25483 723 1 2 . 1 1 41 41 THR CA C 41 57.856 57.856 58.855 -0.999 25483 724 1 2 . 1 1 41 41 THR CB C 41 70.541 70.541 70.537 0.004 25483 725 1 2 . 1 1 41 41 THR H H 41 7.162 7.162 7.618 -0.456 25483 726 1 2 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.493 -0.168 25483 727 1 2 . 1 1 42 42 PRO C C 42 179.534 179.534 178.107 1.427 25483 728 1 2 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.527 0.280 25483 729 1 2 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.121 -0.380 25483 730 1 2 . 1 1 43 43 GLU N N 43 118.723 118.723 119.352 -0.629 25483 731 1 2 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.187 -0.079 25483 732 1 2 . 1 1 43 43 GLU C C 43 179.692 179.692 178.762 0.930 25483 733 1 2 . 1 1 43 43 GLU CA C 43 60.721 60.721 58.996 1.725 25483 734 1 2 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.167 -0.616 25483 735 1 2 . 1 1 43 43 GLU H H 43 9.124 9.124 8.208 0.916 25483 736 1 2 . 1 1 44 44 LEU N N 44 121.970 121.970 119.596 2.374 25483 737 1 2 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.217 0.123 25483 738 1 2 . 1 1 44 44 LEU C C 44 178.924 178.924 178.762 0.162 25483 739 1 2 . 1 1 44 44 LEU CA C 44 57.472 57.472 58.199 -0.727 25483 740 1 2 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.825 0.606 25483 741 1 2 . 1 1 44 44 LEU H H 44 7.838 7.838 7.743 0.095 25483 742 1 2 . 1 1 45 45 ARG N N 45 122.130 122.130 118.227 3.903 25483 743 1 2 . 1 1 45 45 ARG HA H 45 4.093 4.093 4.027 0.066 25483 744 1 2 . 1 1 45 45 ARG C C 45 178.955 178.955 178.344 0.611 25483 745 1 2 . 1 1 45 45 ARG CA C 45 60.124 60.124 58.828 1.296 25483 746 1 2 . 1 1 45 45 ARG CB C 45 30.147 30.147 28.842 1.305 25483 747 1 2 . 1 1 45 45 ARG H H 45 7.762 7.762 7.838 -0.076 25483 748 1 2 . 1 1 46 46 ALA N N 46 121.165 121.165 122.386 -1.221 25483 749 1 2 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.150 -0.014 25483 750 1 2 . 1 1 46 46 ALA C C 46 179.912 179.912 179.521 0.391 25483 751 1 2 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.675 0.270 25483 752 1 2 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.143 -0.431 25483 753 1 2 . 1 1 46 46 ALA H H 46 8.160 8.160 7.568 0.592 25483 754 1 2 . 1 1 47 47 GLU N N 47 120.906 120.906 119.570 1.336 25483 755 1 2 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.046 0.007 25483 756 1 2 . 1 1 47 47 GLU C C 47 178.039 178.039 178.531 -0.492 25483 757 1 2 . 1 1 47 47 GLU CA C 47 59.500 59.500 58.851 0.649 25483 758 1 2 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.355 0.456 25483 759 1 2 . 1 1 47 47 GLU H H 47 7.918 7.918 7.870 0.049 25483 760 1 2 . 1 1 48 48 MET N N 48 118.645 118.645 117.331 1.314 25483 761 1 2 . 1 1 48 48 MET HA H 48 2.897 2.897 4.398 -1.501 25483 762 1 2 . 1 1 48 48 MET C C 48 180.282 180.282 177.392 2.890 25483 763 1 2 . 1 1 48 48 MET CA C 48 59.540 59.540 57.330 2.210 25483 764 1 2 . 1 1 48 48 MET CB C 48 33.502 33.502 32.945 0.557 25483 765 1 2 . 1 1 48 48 MET H H 48 8.047 8.047 7.595 0.452 25483 766 1 2 . 1 1 49 49 GLN N N 49 122.104 122.104 118.778 3.326 25483 767 1 2 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.045 0.294 25483 768 1 2 . 1 1 49 49 GLN C C 49 178.780 178.780 178.077 0.703 25483 769 1 2 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.754 -0.010 25483 770 1 2 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.360 -0.122 25483 771 1 2 . 1 1 49 49 GLN H H 49 8.237 8.237 7.723 0.514 25483 772 1 2 . 1 1 50 50 GLU N N 50 121.947 121.947 119.012 2.935 25483 773 1 2 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.184 -0.215 25483 774 1 2 . 1 1 50 50 GLU C C 50 178.863 178.863 177.791 1.072 25483 775 1 2 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.376 0.755 25483 776 1 2 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.961 -0.242 25483 777 1 2 . 1 1 50 50 GLU H H 50 8.659 8.659 7.687 0.972 25483 778 1 2 . 1 1 51 51 ARG N N 51 115.832 115.832 117.604 -1.772 25483 779 1 2 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.426 -0.366 25483 780 1 2 . 1 1 51 51 ARG C C 51 177.748 177.748 176.202 1.546 25483 781 1 2 . 1 1 51 51 ARG CA C 51 58.480 58.480 54.163 4.317 25483 782 1 2 . 1 1 51 51 ARG CB C 51 31.158 31.158 29.719 1.439 25483 783 1 2 . 1 1 51 51 ARG H H 51 8.231 8.231 7.835 0.396 25483 784 1 2 . 1 1 52 52 SER N N 52 109.790 109.790 114.203 -4.413 25483 785 1 2 . 1 1 52 52 SER HA H 52 3.759 3.759 4.192 -0.433 25483 786 1 2 . 1 1 52 52 SER C C 52 174.149 174.149 175.303 -1.154 25483 787 1 2 . 1 1 52 52 SER CA C 52 58.883 58.883 59.173 -0.290 25483 788 1 2 . 1 1 52 52 SER CB C 52 66.744 66.744 63.664 3.079 25483 789 1 2 . 1 1 52 52 SER H H 52 8.032 8.032 7.462 0.570 25483 790 1 2 . 1 1 53 53 GLY N N 53 112.524 112.524 115.546 -3.022 25483 791 1 2 . 1 1 53 53 GLY C C 53 173.690 173.690 173.446 0.244 25483 792 1 2 . 1 1 53 53 GLY CA C 53 46.093 46.093 45.248 0.845 25483 793 1 2 . 1 1 53 53 GLY H H 53 8.239 8.239 8.627 -0.388 25483 794 1 2 . 1 1 54 54 ARG N N 54 119.453 119.453 120.936 -1.483 25483 795 1 2 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.579 0.074 25483 796 1 2 . 1 1 54 54 ARG C C 54 174.144 174.144 175.059 -0.915 25483 797 1 2 . 1 1 54 54 ARG CA C 54 54.660 54.660 55.421 -0.761 25483 798 1 2 . 1 1 54 54 ARG CB C 54 35.255 35.255 31.835 3.420 25483 799 1 2 . 1 1 54 54 ARG H H 54 8.309 8.309 8.341 -0.033 25483 800 1 2 . 1 1 55 55 ASN N N 55 112.521 112.521 118.239 -5.718 25483 801 1 2 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.913 -0.221 25483 802 1 2 . 1 1 55 55 ASN C C 55 175.197 175.197 175.069 0.128 25483 803 1 2 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.825 -1.144 25483 804 1 2 . 1 1 55 55 ASN CB C 55 39.468 39.468 39.169 0.299 25483 805 1 2 . 1 1 55 55 ASN H H 55 8.154 8.154 8.587 -0.433 25483 806 1 2 . 1 1 56 56 THR N N 56 107.919 107.919 113.127 -5.208 25483 807 1 2 . 1 1 56 56 THR HA H 56 4.356 4.356 4.160 0.196 25483 808 1 2 . 1 1 56 56 THR C C 56 172.477 172.477 174.363 -1.886 25483 809 1 2 . 1 1 56 56 THR CA C 56 59.438 59.438 62.432 -2.994 25483 810 1 2 . 1 1 56 56 THR CB C 56 70.636 70.636 69.205 1.431 25483 811 1 2 . 1 1 56 56 THR H H 56 6.778 6.778 7.428 -0.650 25483 812 1 2 . 1 1 57 57 PHE N N 57 117.789 117.789 116.829 0.960 25483 813 1 2 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.036 -0.311 25483 814 1 2 . 1 1 57 57 PHE C C 57 174.241 174.241 173.533 0.708 25483 815 1 2 . 1 1 57 57 PHE CA C 57 55.088 55.088 52.996 2.092 25483 816 1 2 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.979 4.527 25483 817 1 2 . 1 1 57 57 PHE H H 57 8.469 8.469 6.867 1.602 25483 818 1 2 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.541 1.072 25483 819 1 2 . 1 1 58 58 PRO C C 58 177.062 177.062 176.127 0.935 25483 820 1 2 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.770 0.412 25483 821 1 2 . 1 1 58 58 PRO CB C 58 36.461 36.461 32.941 3.520 25483 822 1 2 . 1 1 59 59 GLN N N 59 112.113 112.113 116.819 -4.706 25483 823 1 2 . 1 1 59 59 GLN HA H 59 4.820 4.820 5.368 -0.548 25483 824 1 2 . 1 1 59 59 GLN C C 59 175.655 175.655 175.901 -0.246 25483 825 1 2 . 1 1 59 59 GLN CA C 59 55.168 55.168 53.742 1.427 25483 826 1 2 . 1 1 59 59 GLN CB C 59 31.479 31.479 30.808 0.671 25483 827 1 2 . 1 1 59 59 GLN H H 59 8.041 8.041 8.156 -0.115 25483 828 1 2 . 1 1 60 60 ILE N N 60 123.134 123.134 121.579 1.555 25483 829 1 2 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.763 0.195 25483 830 1 2 . 1 1 60 60 ILE C C 60 174.350 174.350 174.382 -0.032 25483 831 1 2 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.443 1.731 25483 832 1 2 . 1 1 60 60 ILE CB C 60 40.828 40.828 40.220 0.608 25483 833 1 2 . 1 1 60 60 ILE H H 60 8.940 8.940 7.772 1.168 25483 834 1 2 . 1 1 61 61 PHE N N 61 128.163 128.163 123.837 4.326 25483 835 1 2 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.807 0.586 25483 836 1 2 . 1 1 61 61 PHE C C 61 174.659 174.659 174.850 -0.191 25483 837 1 2 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.662 -0.016 25483 838 1 2 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.662 -1.927 25483 839 1 2 . 1 1 61 61 PHE H H 61 9.645 9.645 8.949 0.696 25483 840 1 2 . 1 1 62 62 ILE N N 62 122.592 122.592 118.336 4.256 25483 841 1 2 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.693 -0.063 25483 842 1 2 . 1 1 62 62 ILE C C 62 175.360 175.360 175.834 -0.474 25483 843 1 2 . 1 1 62 62 ILE CA C 62 61.008 61.008 60.077 0.931 25483 844 1 2 . 1 1 62 62 ILE CB C 62 39.569 39.569 39.201 0.368 25483 845 1 2 . 1 1 62 62 ILE H H 62 9.066 9.066 8.315 0.751 25483 846 1 2 . 1 1 63 63 GLY N N 63 116.263 116.263 118.110 -1.847 25483 847 1 2 . 1 1 63 63 GLY C C 63 175.630 175.630 174.925 0.705 25483 848 1 2 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.500 0.753 25483 849 1 2 . 1 1 63 63 GLY H H 63 9.307 9.307 8.355 0.952 25483 850 1 2 . 1 1 64 64 SER N N 64 122.053 122.053 118.789 3.264 25483 851 1 2 . 1 1 64 64 SER HA H 64 4.566 4.566 4.730 -0.164 25483 852 1 2 . 1 1 64 64 SER C C 64 173.891 173.891 173.444 0.447 25483 853 1 2 . 1 1 64 64 SER CA C 64 59.071 59.071 58.193 0.878 25483 854 1 2 . 1 1 64 64 SER CB C 64 63.895 63.895 63.972 -0.077 25483 855 1 2 . 1 1 64 64 SER H H 64 9.236 9.236 8.626 0.610 25483 856 1 2 . 1 1 65 65 VAL N N 65 124.553 124.553 122.108 2.445 25483 857 1 2 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.447 -0.370 25483 858 1 2 . 1 1 65 65 VAL C C 65 175.294 175.294 174.256 1.038 25483 859 1 2 . 1 1 65 65 VAL CA C 65 62.735 62.735 60.890 1.845 25483 860 1 2 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.985 -1.907 25483 861 1 2 . 1 1 65 65 VAL H H 65 8.494 8.494 7.769 0.725 25483 862 1 2 . 1 1 66 66 HIS N N 66 102.561 102.561 124.296 -21.735 25483 863 1 2 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.544 -0.182 25483 864 1 2 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.567 -0.954 25483 865 1 2 . 1 1 66 66 HIS CB C 66 30.941 30.941 31.687 -0.746 25483 866 1 2 . 1 1 66 66 HIS H H 66 8.966 8.966 8.549 0.417 25483 867 1 2 . 1 1 67 67 VAL N N 67 130.151 130.151 124.619 5.532 25483 868 1 2 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.374 -0.944 25483 869 1 2 . 1 1 67 67 VAL C C 67 174.677 174.677 174.479 0.198 25483 870 1 2 . 1 1 67 67 VAL CA C 67 64.029 64.029 59.915 4.114 25483 871 1 2 . 1 1 67 67 VAL CB C 67 32.426 32.426 35.886 -3.460 25483 872 1 2 . 1 1 67 67 VAL H H 67 8.214 8.214 7.307 0.907 25483 873 1 2 . 1 1 68 68 GLY N N 68 102.768 102.768 114.857 -12.089 25483 874 1 2 . 1 1 68 68 GLY C C 68 173.023 173.023 173.482 -0.459 25483 875 1 2 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.431 -3.651 25483 876 1 2 . 1 1 68 68 GLY H H 68 6.436 6.436 8.717 -2.281 25483 877 1 2 . 1 1 69 69 GLY N N 69 110.061 110.061 105.294 4.767 25483 878 1 2 . 1 1 69 69 GLY C C 69 175.375 175.375 173.922 1.453 25483 879 1 2 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.924 -1.001 25483 880 1 2 . 1 1 69 69 GLY H H 69 9.004 9.004 7.263 1.741 25483 881 1 2 . 1 1 70 70 SER N N 70 113.592 113.592 117.121 -3.529 25483 882 1 2 . 1 1 70 70 SER HA H 70 3.894 3.894 3.791 0.103 25483 883 1 2 . 1 1 70 70 SER CA C 70 62.816 62.816 61.586 1.230 25483 884 1 2 . 1 1 70 70 SER H H 70 8.088 8.088 8.617 -0.529 25483 885 1 2 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.220 0.184 25483 886 1 2 . 1 1 71 71 ASP C C 71 179.115 179.115 178.083 1.032 25483 887 1 2 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.282 0.327 25483 888 1 2 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.458 -1.133 25483 889 1 2 . 1 1 72 72 ASP N N 72 119.325 119.325 119.487 -0.162 25483 890 1 2 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.545 -0.199 25483 891 1 2 . 1 1 72 72 ASP C C 72 177.816 177.816 178.578 -0.762 25483 892 1 2 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.742 0.471 25483 893 1 2 . 1 1 72 72 ASP CB C 72 41.409 41.409 41.321 0.088 25483 894 1 2 . 1 1 72 72 ASP H H 72 7.232 7.232 7.578 -0.346 25483 895 1 2 . 1 1 73 73 LEU N N 73 121.336 121.336 121.809 -0.473 25483 896 1 2 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.810 -0.037 25483 897 1 2 . 1 1 73 73 LEU C C 73 177.957 177.957 178.556 -0.599 25483 898 1 2 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.147 0.207 25483 899 1 2 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.882 0.294 25483 900 1 2 . 1 1 73 73 LEU H H 73 7.789 7.789 8.319 -0.530 25483 901 1 2 . 1 1 74 74 TYR N N 74 116.570 116.570 117.378 -0.808 25483 902 1 2 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.201 -0.452 25483 903 1 2 . 1 1 74 74 TYR C C 74 178.275 178.275 177.742 0.533 25483 904 1 2 . 1 1 74 74 TYR CA C 74 62.698 62.698 60.796 1.902 25483 905 1 2 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.788 -0.277 25483 906 1 2 . 1 1 74 74 TYR H H 74 8.318 8.318 8.021 0.297 25483 907 1 2 . 1 1 75 75 ALA N N 75 122.593 122.593 122.941 -0.348 25483 908 1 2 . 1 1 75 75 ALA HA H 75 4.255 4.255 4.034 0.221 25483 909 1 2 . 1 1 75 75 ALA C C 75 180.162 180.162 179.454 0.708 25483 910 1 2 . 1 1 75 75 ALA CA C 75 55.603 55.603 54.906 0.697 25483 911 1 2 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.315 -0.686 25483 912 1 2 . 1 1 75 75 ALA H H 75 8.082 8.082 7.480 0.602 25483 913 1 2 . 1 1 76 76 LEU N N 76 116.647 116.647 118.498 -1.851 25483 914 1 2 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.841 0.214 25483 915 1 2 . 1 1 76 76 LEU C C 76 179.538 179.538 179.089 0.449 25483 916 1 2 . 1 1 76 76 LEU CA C 76 57.856 57.856 58.025 -0.169 25483 917 1 2 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.388 1.289 25483 918 1 2 . 1 1 76 76 LEU H H 76 7.389 7.389 8.430 -1.041 25483 919 1 2 . 1 1 77 77 GLU N N 77 121.342 121.342 119.627 1.715 25483 920 1 2 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.954 0.643 25483 921 1 2 . 1 1 77 77 GLU C C 77 179.674 179.674 179.023 0.651 25483 922 1 2 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.587 -1.556 25483 923 1 2 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.107 -0.990 25483 924 1 2 . 1 1 77 77 GLU H H 77 7.461 7.461 7.665 -0.204 25483 925 1 2 . 1 1 78 78 ASP N N 78 123.339 123.339 119.547 3.792 25483 926 1 2 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.430 0.021 25483 927 1 2 . 1 1 78 78 ASP C C 78 178.412 178.412 178.470 -0.058 25483 928 1 2 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.820 0.650 25483 929 1 2 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.827 -0.283 25483 930 1 2 . 1 1 78 78 ASP H H 78 8.650 8.650 7.659 0.991 25483 931 1 2 . 1 1 79 79 GLU N N 79 115.360 115.360 117.400 -2.040 25483 932 1 2 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.244 0.088 25483 933 1 2 . 1 1 79 79 GLU C C 79 176.861 176.861 177.694 -0.833 25483 934 1 2 . 1 1 79 79 GLU CA C 79 56.315 56.315 56.825 -0.510 25483 935 1 2 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.133 0.568 25483 936 1 2 . 1 1 79 79 GLU H H 79 7.791 7.791 7.796 -0.005 25483 937 1 2 . 1 1 80 80 GLY N N 80 108.851 108.851 107.387 1.464 25483 938 1 2 . 1 1 80 80 GLY C C 80 176.085 176.085 173.835 2.250 25483 939 1 2 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.070 1.171 25483 940 1 2 . 1 1 80 80 GLY H H 80 8.078 8.078 8.170 -0.092 25483 941 1 2 . 1 1 81 81 LYS N N 81 116.858 116.858 118.337 -1.479 25483 942 1 2 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.660 -0.215 25483 943 1 2 . 1 1 81 81 LYS C C 81 176.789 176.789 176.224 0.565 25483 944 1 2 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.044 1.524 25483 945 1 2 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.620 2.384 25483 946 1 2 . 1 1 81 81 LYS H H 81 8.216 8.216 8.332 -0.116 25483 947 1 2 . 1 1 82 82 LEU N N 82 122.543 122.543 117.885 4.658 25483 948 1 2 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.227 -0.186 25483 949 1 2 . 1 1 82 82 LEU C C 82 177.466 177.466 177.484 -0.018 25483 950 1 2 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.888 -0.391 25483 951 1 2 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.623 -1.134 25483 952 1 2 . 1 1 82 82 LEU H H 82 7.516 7.516 7.836 -0.320 25483 953 1 2 . 1 1 83 83 ASP N N 83 119.643 119.643 119.568 0.075 25483 954 1 2 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.292 0.014 25483 955 1 2 . 1 1 83 83 ASP C C 83 178.744 178.744 177.837 0.907 25483 956 1 2 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.312 1.426 25483 957 1 2 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.322 -0.368 25483 958 1 2 . 1 1 83 83 ASP H H 83 8.662 8.662 8.718 -0.056 25483 959 1 2 . 1 1 84 84 SER N N 84 113.208 113.208 113.642 -0.434 25483 960 1 2 . 1 1 84 84 SER HA H 84 4.266 4.266 4.290 -0.024 25483 961 1 2 . 1 1 84 84 SER C C 84 177.581 177.581 176.418 1.163 25483 962 1 2 . 1 1 84 84 SER CA C 84 61.483 61.483 60.761 0.722 25483 963 1 2 . 1 1 84 84 SER CB C 84 62.667 62.667 63.178 -0.511 25483 964 1 2 . 1 1 84 84 SER H H 84 8.425 8.425 8.346 0.079 25483 965 1 2 . 1 1 85 85 LEU N N 85 126.393 126.393 123.727 2.666 25483 966 1 2 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.263 0.092 25483 967 1 2 . 1 1 85 85 LEU C C 85 178.692 178.692 178.229 0.463 25483 968 1 2 . 1 1 85 85 LEU CA C 85 58.409 58.409 57.903 0.506 25483 969 1 2 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.095 -0.580 25483 970 1 2 . 1 1 85 85 LEU H H 85 7.577 7.577 7.341 0.236 25483 971 1 2 . 1 1 86 86 LEU N N 86 117.833 117.833 113.095 4.738 25483 972 1 2 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.413 -0.530 25483 973 1 2 . 1 1 86 86 LEU C C 86 177.470 177.470 177.725 -0.255 25483 974 1 2 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.564 1.217 25483 975 1 2 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.460 0.342 25483 976 1 2 . 1 1 86 86 LEU H H 86 8.406 8.406 8.168 0.238 25483 977 1 2 . 1 1 87 87 LYS N N 87 113.997 113.997 117.246 -3.249 25483 978 1 2 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.283 0.106 25483 979 1 2 . 1 1 87 87 LYS C C 87 178.282 178.282 176.997 1.285 25483 980 1 2 . 1 1 87 87 LYS CA C 87 58.334 58.334 57.969 0.364 25483 981 1 2 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.770 0.143 25483 982 1 2 . 1 1 87 87 LYS H H 87 7.548 7.548 7.646 -0.098 25483 983 1 2 . 1 1 88 88 THR N N 88 106.050 106.050 109.144 -3.094 25483 984 1 2 . 1 1 88 88 THR HA H 88 4.545 4.545 4.433 0.112 25483 985 1 2 . 1 1 88 88 THR C C 88 176.566 176.566 173.158 3.408 25483 986 1 2 . 1 1 88 88 THR CA C 88 62.396 62.396 62.277 0.119 25483 987 1 2 . 1 1 88 88 THR CB C 88 72.438 72.438 71.302 1.136 25483 988 1 2 . 1 1 88 88 THR H H 88 8.178 8.178 8.087 0.091 25483 989 1 2 . 1 1 89 89 GLY N N 89 112.811 112.811 111.005 1.806 25483 990 1 2 . 1 1 89 89 GLY C C 89 171.985 171.985 172.226 -0.241 25483 991 1 2 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.105 1.712 25483 992 1 2 . 1 1 89 89 GLY H H 89 9.153 9.153 8.012 1.141 25483 993 1 2 . 1 1 90 90 LYS N N 90 117.650 117.650 123.447 -5.797 25483 994 1 2 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.741 -0.231 25483 995 1 2 . 1 1 90 90 LYS C C 90 174.330 174.330 175.768 -1.438 25483 996 1 2 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.486 0.123 25483 997 1 2 . 1 1 90 90 LYS CB C 90 35.701 35.701 35.002 0.700 25483 998 1 2 . 1 1 90 90 LYS H H 90 7.940 7.940 8.292 -0.352 25483 999 1 2 . 1 1 91 91 LEU N N 91 123.149 123.149 122.787 0.362 25483 1000 1 2 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.272 0.197 25483 1001 1 2 . 1 1 91 91 LEU C C 91 175.848 175.848 177.495 -1.647 25483 1002 1 2 . 1 1 91 91 LEU CA C 91 54.600 54.600 56.678 -2.078 25483 1003 1 2 . 1 1 91 91 LEU CB C 91 43.011 43.011 41.999 1.012 25483 1004 1 2 . 1 1 91 91 LEU H H 91 8.501 8.501 8.465 0.036 25483 1005 1 3 . 1 1 3 3 GLY N N 3 110.312 110.312 106.506 3.806 25483 1006 1 3 . 1 1 3 3 GLY C C 3 174.169 174.169 173.174 0.995 25483 1007 1 3 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.444 1.031 25483 1008 1 3 . 1 1 3 3 GLY H H 3 8.679 8.679 8.218 0.461 25483 1009 1 3 . 1 1 4 4 SER N N 4 115.617 115.617 119.820 -4.203 25483 1010 1 3 . 1 1 4 4 SER HA H 4 4.499 4.499 4.857 -0.358 25483 1011 1 3 . 1 1 4 4 SER C C 4 174.408 174.408 173.392 1.016 25483 1012 1 3 . 1 1 4 4 SER CA C 4 58.541 58.541 57.929 0.612 25483 1013 1 3 . 1 1 4 4 SER CB C 4 63.920 63.920 62.945 0.975 25483 1014 1 3 . 1 1 4 4 SER H H 4 8.237 8.237 8.518 -0.281 25483 1015 1 3 . 1 1 5 5 MET N N 5 121.390 121.390 118.057 3.333 25483 1016 1 3 . 1 1 5 5 MET HA H 5 4.702 4.702 4.812 -0.110 25483 1017 1 3 . 1 1 5 5 MET C C 5 176.122 176.122 174.092 2.030 25483 1018 1 3 . 1 1 5 5 MET CA C 5 55.600 55.600 55.087 0.512 25483 1019 1 3 . 1 1 5 5 MET CB C 5 34.357 34.357 34.033 0.324 25483 1020 1 3 . 1 1 5 5 MET H H 5 8.309 8.309 7.962 0.347 25483 1021 1 3 . 1 1 6 6 VAL N N 6 117.990 117.990 116.641 1.349 25483 1022 1 3 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.409 -0.208 25483 1023 1 3 . 1 1 6 6 VAL C C 6 174.450 174.450 174.645 -0.195 25483 1024 1 3 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.251 0.167 25483 1025 1 3 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.904 -0.319 25483 1026 1 3 . 1 1 6 6 VAL H H 6 8.175 8.175 8.630 -0.455 25483 1027 1 3 . 1 1 7 7 ASP N N 7 121.785 121.785 117.845 3.940 25483 1028 1 3 . 1 1 7 7 ASP HA H 7 4.568 4.568 5.036 -0.468 25483 1029 1 3 . 1 1 7 7 ASP C C 7 175.866 175.866 174.947 0.919 25483 1030 1 3 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.354 1.814 25483 1031 1 3 . 1 1 7 7 ASP CB C 7 41.599 41.599 44.129 -2.530 25483 1032 1 3 . 1 1 7 7 ASP H H 7 8.332 8.332 8.323 0.009 25483 1033 1 3 . 1 1 8 8 VAL N N 8 124.023 124.023 120.062 3.961 25483 1034 1 3 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.897 0.101 25483 1035 1 3 . 1 1 8 8 VAL C C 8 174.859 174.859 176.142 -1.283 25483 1036 1 3 . 1 1 8 8 VAL CA C 8 61.461 61.461 61.284 0.177 25483 1037 1 3 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.962 0.359 25483 1038 1 3 . 1 1 8 8 VAL H H 8 8.658 8.658 8.594 0.064 25483 1039 1 3 . 1 1 9 9 ILE N N 9 129.744 129.744 124.290 5.454 25483 1040 1 3 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.580 0.431 25483 1041 1 3 . 1 1 9 9 ILE C C 9 174.323 174.323 174.138 0.185 25483 1042 1 3 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.527 -0.830 25483 1043 1 3 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.802 -1.523 25483 1044 1 3 . 1 1 9 9 ILE H H 9 9.306 9.306 8.864 0.442 25483 1045 1 3 . 1 1 10 10 ILE N N 10 123.657 123.657 121.735 1.922 25483 1046 1 3 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.267 0.132 25483 1047 1 3 . 1 1 10 10 ILE C C 10 173.066 173.066 173.890 -0.824 25483 1048 1 3 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.775 -0.286 25483 1049 1 3 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.594 -0.797 25483 1050 1 3 . 1 1 10 10 ILE H H 10 8.734 8.734 8.751 -0.017 25483 1051 1 3 . 1 1 11 11 TYR N N 11 128.973 128.973 128.342 0.631 25483 1052 1 3 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.757 0.930 25483 1053 1 3 . 1 1 11 11 TYR C C 11 176.756 176.756 174.565 2.191 25483 1054 1 3 . 1 1 11 11 TYR CA C 11 57.408 57.408 57.987 -0.579 25483 1055 1 3 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.668 1.616 25483 1056 1 3 . 1 1 11 11 TYR H H 11 9.292 9.292 8.664 0.628 25483 1057 1 3 . 1 1 12 12 THR N N 12 112.725 112.725 115.894 -3.169 25483 1058 1 3 . 1 1 12 12 THR HA H 12 5.732 5.732 4.540 1.192 25483 1059 1 3 . 1 1 12 12 THR C C 12 172.866 172.866 172.714 0.152 25483 1060 1 3 . 1 1 12 12 THR CA C 12 59.671 59.671 60.781 -1.110 25483 1061 1 3 . 1 1 12 12 THR CB C 12 72.735 72.735 70.594 2.141 25483 1062 1 3 . 1 1 12 12 THR H H 12 9.253 9.253 7.776 1.477 25483 1063 1 3 . 1 1 13 13 ARG N N 13 116.857 116.857 122.371 -5.514 25483 1064 1 3 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.313 0.472 25483 1065 1 3 . 1 1 13 13 ARG C C 13 173.407 173.407 175.537 -2.130 25483 1066 1 3 . 1 1 13 13 ARG CA C 13 53.254 53.254 56.376 -3.122 25483 1067 1 3 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.112 1.485 25483 1068 1 3 . 1 1 13 13 ARG H H 13 8.695 8.695 8.645 0.050 25483 1069 1 3 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.615 -0.454 25483 1070 1 3 . 1 1 14 14 PRO C C 14 177.642 177.642 176.466 1.176 25483 1071 1 3 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.168 -5.190 25483 1072 1 3 . 1 1 14 14 PRO CB C 14 30.197 30.197 32.680 -2.483 25483 1073 1 3 . 1 1 15 15 GLY N N 15 108.958 108.958 105.897 3.061 25483 1074 1 3 . 1 1 15 15 GLY C C 15 173.520 173.520 173.065 0.455 25483 1075 1 3 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.006 1.027 25483 1076 1 3 . 1 1 15 15 GLY H H 15 8.534 8.534 7.891 0.643 25483 1077 1 3 . 1 1 16 16 CYS N N 16 122.701 122.701 120.795 1.906 25483 1078 1 3 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.514 0.521 25483 1079 1 3 . 1 1 16 16 CYS C C 16 175.994 175.994 173.478 2.516 25483 1080 1 3 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.820 -4.602 25483 1081 1 3 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.402 4.312 25483 1082 1 3 . 1 1 16 16 CYS H H 16 7.476 7.476 8.397 -0.921 25483 1083 1 3 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.446 -0.106 25483 1084 1 3 . 1 1 17 17 PRO C C 17 178.531 178.531 176.191 2.340 25483 1085 1 3 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.985 1.546 25483 1086 1 3 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.121 0.019 25483 1087 1 3 . 1 1 18 18 TYR N N 18 121.799 121.799 118.786 3.013 25483 1088 1 3 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.543 -0.121 25483 1089 1 3 . 1 1 18 18 TYR C C 18 178.508 178.508 175.425 3.083 25483 1090 1 3 . 1 1 18 18 TYR CA C 18 61.076 61.076 58.568 2.508 25483 1091 1 3 . 1 1 18 18 TYR CB C 18 38.433 38.433 37.296 1.137 25483 1092 1 3 . 1 1 18 18 TYR H H 18 8.148 8.148 8.871 -0.723 25483 1093 1 3 . 1 1 19 19 CYS N N 19 122.966 122.966 122.393 0.573 25483 1094 1 3 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.756 -0.754 25483 1095 1 3 . 1 1 19 19 CYS C C 19 177.642 177.642 175.186 2.456 25483 1096 1 3 . 1 1 19 19 CYS CA C 19 64.471 64.471 57.279 7.192 25483 1097 1 3 . 1 1 19 19 CYS CB C 19 31.017 31.017 27.593 3.424 25483 1098 1 3 . 1 1 19 19 CYS H H 19 7.833 7.833 8.193 -0.360 25483 1099 1 3 . 1 1 20 20 ALA N N 20 121.738 121.738 124.532 -2.794 25483 1100 1 3 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.294 -0.144 25483 1101 1 3 . 1 1 20 20 ALA C C 20 180.531 180.531 179.180 1.351 25483 1102 1 3 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.350 1.234 25483 1103 1 3 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.730 -0.701 25483 1104 1 3 . 1 1 20 20 ALA H H 20 7.080 7.080 8.632 -1.552 25483 1105 1 3 . 1 1 21 21 ARG N N 21 119.812 119.812 119.348 0.464 25483 1106 1 3 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.176 0.066 25483 1107 1 3 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.865 -1.940 25483 1108 1 3 . 1 1 21 21 ARG CB C 21 29.868 29.868 30.066 -0.198 25483 1109 1 3 . 1 1 21 21 ARG H H 21 8.039 8.039 8.534 -0.495 25483 1110 1 3 . 1 1 22 22 ALA N N 22 124.459 124.459 120.971 3.488 25483 1111 1 3 . 1 1 22 22 ALA HA H 22 4.140 4.140 4.019 0.121 25483 1112 1 3 . 1 1 22 22 ALA C C 22 178.267 178.267 179.670 -1.403 25483 1113 1 3 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.968 0.703 25483 1114 1 3 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.134 1.091 25483 1115 1 3 . 1 1 22 22 ALA H H 22 7.768 7.768 8.374 -0.606 25483 1116 1 3 . 1 1 23 23 LYS N N 23 116.014 116.014 117.552 -1.538 25483 1117 1 3 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.627 -0.326 25483 1118 1 3 . 1 1 23 23 LYS C C 23 177.995 177.995 178.457 -0.462 25483 1119 1 3 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.946 2.776 25483 1120 1 3 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.833 -0.183 25483 1121 1 3 . 1 1 23 23 LYS H H 23 7.984 7.984 7.505 0.479 25483 1122 1 3 . 1 1 24 24 ALA N N 24 120.042 120.042 122.605 -2.563 25483 1123 1 3 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.082 0.128 25483 1124 1 3 . 1 1 24 24 ALA C C 24 180.610 180.610 180.140 0.470 25483 1125 1 3 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.823 0.042 25483 1126 1 3 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.098 -0.162 25483 1127 1 3 . 1 1 24 24 ALA H H 24 8.040 8.040 7.761 0.279 25483 1128 1 3 . 1 1 25 25 LEU N N 25 119.514 119.514 120.011 -0.497 25483 1129 1 3 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.991 0.161 25483 1130 1 3 . 1 1 25 25 LEU C C 25 177.834 177.834 178.521 -0.687 25483 1131 1 3 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.711 -0.023 25483 1132 1 3 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.862 -1.127 25483 1133 1 3 . 1 1 25 25 LEU H H 25 7.150 7.150 7.414 -0.264 25483 1134 1 3 . 1 1 26 26 LEU N N 26 117.253 117.253 116.573 0.680 25483 1135 1 3 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.880 -0.127 25483 1136 1 3 . 1 1 26 26 LEU C C 26 178.553 178.553 178.401 0.152 25483 1137 1 3 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.365 1.110 25483 1138 1 3 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.354 -0.290 25483 1139 1 3 . 1 1 26 26 LEU H H 26 7.576 7.576 7.441 0.135 25483 1140 1 3 . 1 1 27 27 ALA N N 27 119.606 119.606 118.001 1.605 25483 1141 1 3 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.313 0.028 25483 1142 1 3 . 1 1 27 27 ALA C C 27 182.219 182.219 178.382 3.837 25483 1143 1 3 . 1 1 27 27 ALA CA C 27 55.326 55.326 53.501 1.825 25483 1144 1 3 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.841 -0.733 25483 1145 1 3 . 1 1 27 27 ALA H H 27 8.629 8.629 7.710 0.919 25483 1146 1 3 . 1 1 28 28 ARG N N 28 121.081 121.081 118.728 2.353 25483 1147 1 3 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.234 -0.069 25483 1148 1 3 . 1 1 28 28 ARG C C 28 178.659 178.659 177.458 1.201 25483 1149 1 3 . 1 1 28 28 ARG CA C 28 59.181 59.181 57.644 1.537 25483 1150 1 3 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.875 -0.955 25483 1151 1 3 . 1 1 28 28 ARG H H 28 7.992 7.992 7.776 0.216 25483 1152 1 3 . 1 1 29 29 LYS N N 29 115.790 115.790 117.205 -1.415 25483 1153 1 3 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.450 -0.216 25483 1154 1 3 . 1 1 29 29 LYS C C 29 176.666 176.666 176.527 0.139 25483 1155 1 3 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.660 -0.715 25483 1156 1 3 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.594 -1.153 25483 1157 1 3 . 1 1 29 29 LYS H H 29 7.663 7.663 7.650 0.013 25483 1158 1 3 . 1 1 30 30 GLY N N 30 107.767 107.767 108.617 -0.850 25483 1159 1 3 . 1 1 30 30 GLY C C 30 174.014 174.014 174.785 -0.771 25483 1160 1 3 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.816 -0.411 25483 1161 1 3 . 1 1 30 30 GLY H H 30 7.930 7.930 8.263 -0.333 25483 1162 1 3 . 1 1 31 31 ALA N N 31 122.192 122.192 121.897 0.295 25483 1163 1 3 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.238 0.265 25483 1164 1 3 . 1 1 31 31 ALA C C 31 176.691 176.691 177.012 -0.321 25483 1165 1 3 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.244 -0.613 25483 1166 1 3 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.111 -0.173 25483 1167 1 3 . 1 1 31 31 ALA H H 31 7.844 7.844 7.672 0.172 25483 1168 1 3 . 1 1 32 32 GLU N N 32 123.903 123.903 119.318 4.585 25483 1169 1 3 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.348 -0.113 25483 1170 1 3 . 1 1 32 32 GLU C C 32 176.080 176.080 175.139 0.941 25483 1171 1 3 . 1 1 32 32 GLU CA C 32 55.735 55.735 56.020 -0.285 25483 1172 1 3 . 1 1 32 32 GLU CB C 32 29.777 29.777 31.107 -1.330 25483 1173 1 3 . 1 1 32 32 GLU H H 32 8.337 8.337 8.586 -0.249 25483 1174 1 3 . 1 1 33 33 PHE N N 33 116.634 116.634 113.656 2.978 25483 1175 1 3 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.161 0.071 25483 1176 1 3 . 1 1 33 33 PHE C C 33 173.397 173.397 173.402 -0.005 25483 1177 1 3 . 1 1 33 33 PHE CA C 33 55.221 55.221 56.602 -1.381 25483 1178 1 3 . 1 1 33 33 PHE CB C 33 41.508 41.508 40.622 0.886 25483 1179 1 3 . 1 1 33 33 PHE H H 33 7.640 7.640 7.585 0.055 25483 1180 1 3 . 1 1 34 34 ASN N N 34 120.133 120.133 120.278 -0.145 25483 1181 1 3 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.932 0.039 25483 1182 1 3 . 1 1 34 34 ASN C C 34 173.199 173.199 174.277 -1.078 25483 1183 1 3 . 1 1 34 34 ASN CA C 34 52.180 52.180 51.965 0.214 25483 1184 1 3 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.151 -1.311 25483 1185 1 3 . 1 1 34 34 ASN H H 34 8.921 8.921 8.440 0.481 25483 1186 1 3 . 1 1 35 35 GLU N N 35 126.204 126.204 124.089 2.115 25483 1187 1 3 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.671 0.507 25483 1188 1 3 . 1 1 35 35 GLU C C 35 175.185 175.185 175.786 -0.601 25483 1189 1 3 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.354 -1.803 25483 1190 1 3 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.172 0.266 25483 1191 1 3 . 1 1 35 35 GLU H H 35 8.758 8.758 8.715 0.043 25483 1192 1 3 . 1 1 36 36 ILE N N 36 130.012 130.012 122.378 7.634 25483 1193 1 3 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.097 0.064 25483 1194 1 3 . 1 1 36 36 ILE C C 36 174.987 174.987 174.335 0.652 25483 1195 1 3 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.939 0.244 25483 1196 1 3 . 1 1 36 36 ILE CB C 36 40.273 40.273 39.568 0.705 25483 1197 1 3 . 1 1 36 36 ILE H H 36 9.080 9.080 7.876 1.204 25483 1198 1 3 . 1 1 37 37 ASP N N 37 125.921 125.921 128.345 -2.424 25483 1199 1 3 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.577 0.425 25483 1200 1 3 . 1 1 37 37 ASP C C 37 176.847 176.847 175.559 1.288 25483 1201 1 3 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.489 -1.611 25483 1202 1 3 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.409 -1.119 25483 1203 1 3 . 1 1 37 37 ASP H H 37 8.515 8.515 8.488 0.027 25483 1204 1 3 . 1 1 38 38 ALA N N 38 130.525 130.525 126.267 4.258 25483 1205 1 3 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.508 0.149 25483 1206 1 3 . 1 1 38 38 ALA C C 38 175.507 175.507 177.728 -2.221 25483 1207 1 3 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.165 0.755 25483 1208 1 3 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.870 -0.258 25483 1209 1 3 . 1 1 38 38 ALA H H 38 8.845 8.845 8.041 0.804 25483 1210 1 3 . 1 1 39 39 SER N N 39 111.653 111.653 112.801 -1.148 25483 1211 1 3 . 1 1 39 39 SER HA H 39 4.425 4.425 4.210 0.215 25483 1212 1 3 . 1 1 39 39 SER C C 39 176.988 176.988 174.334 2.654 25483 1213 1 3 . 1 1 39 39 SER CA C 39 59.504 59.504 59.054 0.450 25483 1214 1 3 . 1 1 39 39 SER CB C 39 64.768 64.768 62.864 1.904 25483 1215 1 3 . 1 1 39 39 SER H H 39 8.727 8.727 8.855 -0.128 25483 1216 1 3 . 1 1 40 40 ALA N N 40 124.164 124.164 121.649 2.515 25483 1217 1 3 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.545 -0.316 25483 1218 1 3 . 1 1 40 40 ALA C C 40 178.039 178.039 176.814 1.225 25483 1219 1 3 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.724 2.123 25483 1220 1 3 . 1 1 40 40 ALA CB C 40 20.378 20.378 19.945 0.433 25483 1221 1 3 . 1 1 40 40 ALA H H 40 7.543 7.543 8.338 -0.795 25483 1222 1 3 . 1 1 41 41 THR N N 41 106.060 106.060 112.881 -6.821 25483 1223 1 3 . 1 1 41 41 THR HA H 41 5.006 5.006 4.547 0.459 25483 1224 1 3 . 1 1 41 41 THR C C 41 173.200 173.200 172.365 0.835 25483 1225 1 3 . 1 1 41 41 THR CA C 41 57.856 57.856 60.162 -2.306 25483 1226 1 3 . 1 1 41 41 THR CB C 41 70.541 70.541 69.632 0.909 25483 1227 1 3 . 1 1 41 41 THR H H 41 7.162 7.162 7.672 -0.510 25483 1228 1 3 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.493 -0.168 25483 1229 1 3 . 1 1 42 42 PRO C C 42 179.534 179.534 177.698 1.836 25483 1230 1 3 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.397 0.410 25483 1231 1 3 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.013 -0.272 25483 1232 1 3 . 1 1 43 43 GLU N N 43 118.723 118.723 119.729 -1.006 25483 1233 1 3 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.136 -0.028 25483 1234 1 3 . 1 1 43 43 GLU C C 43 179.692 179.692 178.291 1.401 25483 1235 1 3 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.325 1.397 25483 1236 1 3 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.752 -1.201 25483 1237 1 3 . 1 1 43 43 GLU H H 43 9.124 9.124 8.129 0.995 25483 1238 1 3 . 1 1 44 44 LEU N N 44 121.970 121.970 120.646 1.324 25483 1239 1 3 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.140 0.200 25483 1240 1 3 . 1 1 44 44 LEU C C 44 178.924 178.924 179.190 -0.266 25483 1241 1 3 . 1 1 44 44 LEU CA C 44 57.472 57.472 58.019 -0.547 25483 1242 1 3 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.542 0.890 25483 1243 1 3 . 1 1 44 44 LEU H H 44 7.838 7.838 7.695 0.143 25483 1244 1 3 . 1 1 45 45 ARG N N 45 122.130 122.130 119.536 2.594 25483 1245 1 3 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.942 0.151 25483 1246 1 3 . 1 1 45 45 ARG C C 45 178.955 178.955 178.243 0.712 25483 1247 1 3 . 1 1 45 45 ARG CA C 45 60.124 60.124 58.823 1.301 25483 1248 1 3 . 1 1 45 45 ARG CB C 45 30.147 30.147 29.406 0.741 25483 1249 1 3 . 1 1 45 45 ARG H H 45 7.762 7.762 7.883 -0.121 25483 1250 1 3 . 1 1 46 46 ALA N N 46 121.165 121.165 120.046 1.119 25483 1251 1 3 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.118 0.018 25483 1252 1 3 . 1 1 46 46 ALA C C 46 179.912 179.912 179.880 0.032 25483 1253 1 3 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.900 0.045 25483 1254 1 3 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.121 -0.409 25483 1255 1 3 . 1 1 46 46 ALA H H 46 8.160 8.160 7.767 0.393 25483 1256 1 3 . 1 1 47 47 GLU N N 47 120.906 120.906 119.221 1.685 25483 1257 1 3 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.162 -0.109 25483 1258 1 3 . 1 1 47 47 GLU C C 47 178.039 178.039 179.354 -1.315 25483 1259 1 3 . 1 1 47 47 GLU CA C 47 59.500 59.500 58.689 0.811 25483 1260 1 3 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.326 0.485 25483 1261 1 3 . 1 1 47 47 GLU H H 47 7.918 7.918 7.673 0.245 25483 1262 1 3 . 1 1 48 48 MET N N 48 118.645 118.645 118.795 -0.150 25483 1263 1 3 . 1 1 48 48 MET HA H 48 2.897 2.897 4.220 -1.323 25483 1264 1 3 . 1 1 48 48 MET C C 48 180.282 180.282 178.572 1.710 25483 1265 1 3 . 1 1 48 48 MET CA C 48 59.540 59.540 57.426 2.114 25483 1266 1 3 . 1 1 48 48 MET CB C 48 33.502 33.502 31.567 1.935 25483 1267 1 3 . 1 1 48 48 MET H H 48 8.047 8.047 8.018 0.029 25483 1268 1 3 . 1 1 49 49 GLN N N 49 122.104 122.104 119.501 2.603 25483 1269 1 3 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.099 0.240 25483 1270 1 3 . 1 1 49 49 GLN C C 49 178.780 178.780 177.546 1.234 25483 1271 1 3 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.732 0.012 25483 1272 1 3 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.459 -0.221 25483 1273 1 3 . 1 1 49 49 GLN H H 49 8.237 8.237 8.113 0.124 25483 1274 1 3 . 1 1 50 50 GLU N N 50 121.947 121.947 119.247 2.700 25483 1275 1 3 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.074 -0.105 25483 1276 1 3 . 1 1 50 50 GLU C C 50 178.863 178.863 177.868 0.995 25483 1277 1 3 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.749 0.382 25483 1278 1 3 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.754 -0.035 25483 1279 1 3 . 1 1 50 50 GLU H H 50 8.659 8.659 7.920 0.739 25483 1280 1 3 . 1 1 51 51 ARG N N 51 115.832 115.832 116.488 -0.656 25483 1281 1 3 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.415 -0.355 25483 1282 1 3 . 1 1 51 51 ARG C C 51 177.748 177.748 176.931 0.817 25483 1283 1 3 . 1 1 51 51 ARG CA C 51 58.480 58.480 55.800 2.680 25483 1284 1 3 . 1 1 51 51 ARG CB C 51 31.158 31.158 31.003 0.155 25483 1285 1 3 . 1 1 51 51 ARG H H 51 8.231 8.231 7.552 0.679 25483 1286 1 3 . 1 1 52 52 SER N N 52 109.790 109.790 115.255 -5.465 25483 1287 1 3 . 1 1 52 52 SER HA H 52 3.759 3.759 4.163 -0.404 25483 1288 1 3 . 1 1 52 52 SER C C 52 174.149 174.149 174.387 -0.238 25483 1289 1 3 . 1 1 52 52 SER CA C 52 58.883 58.883 58.500 0.383 25483 1290 1 3 . 1 1 52 52 SER CB C 52 66.744 66.744 62.589 4.155 25483 1291 1 3 . 1 1 52 52 SER H H 52 8.032 8.032 8.168 -0.136 25483 1292 1 3 . 1 1 53 53 GLY N N 53 112.524 112.524 108.137 4.387 25483 1293 1 3 . 1 1 53 53 GLY C C 53 173.690 173.690 174.202 -0.512 25483 1294 1 3 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.494 1.599 25483 1295 1 3 . 1 1 53 53 GLY H H 53 8.239 8.239 8.405 -0.166 25483 1296 1 3 . 1 1 54 54 ARG N N 54 119.453 119.453 118.968 0.485 25483 1297 1 3 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.118 0.535 25483 1298 1 3 . 1 1 54 54 ARG C C 54 174.144 174.144 177.492 -3.348 25483 1299 1 3 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.370 -1.710 25483 1300 1 3 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.720 4.535 25483 1301 1 3 . 1 1 54 54 ARG H H 54 8.309 8.309 8.287 0.022 25483 1302 1 3 . 1 1 55 55 ASN N N 55 112.521 112.521 118.852 -6.331 25483 1303 1 3 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.650 0.043 25483 1304 1 3 . 1 1 55 55 ASN C C 55 175.197 175.197 175.064 0.133 25483 1305 1 3 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.902 -1.221 25483 1306 1 3 . 1 1 55 55 ASN CB C 55 39.468 39.468 37.659 1.809 25483 1307 1 3 . 1 1 55 55 ASN H H 55 8.154 8.154 8.600 -0.446 25483 1308 1 3 . 1 1 56 56 THR N N 56 107.919 107.919 113.351 -5.432 25483 1309 1 3 . 1 1 56 56 THR HA H 56 4.356 4.356 4.211 0.145 25483 1310 1 3 . 1 1 56 56 THR C C 56 172.477 172.477 174.896 -2.419 25483 1311 1 3 . 1 1 56 56 THR CA C 56 59.438 59.438 60.768 -1.330 25483 1312 1 3 . 1 1 56 56 THR CB C 56 70.636 70.636 69.823 0.813 25483 1313 1 3 . 1 1 56 56 THR H H 56 6.778 6.778 7.466 -0.688 25483 1314 1 3 . 1 1 57 57 PHE N N 57 117.789 117.789 117.624 0.165 25483 1315 1 3 . 1 1 57 57 PHE HA H 57 4.725 4.725 4.632 0.093 25483 1316 1 3 . 1 1 57 57 PHE C C 57 174.241 174.241 175.057 -0.816 25483 1317 1 3 . 1 1 57 57 PHE CA C 57 55.088 55.088 55.060 0.028 25483 1318 1 3 . 1 1 57 57 PHE CB C 57 43.506 43.506 37.667 5.839 25483 1319 1 3 . 1 1 57 57 PHE H H 57 8.469 8.469 7.866 0.603 25483 1320 1 3 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.496 1.117 25483 1321 1 3 . 1 1 58 58 PRO C C 58 177.062 177.062 175.982 1.080 25483 1322 1 3 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.694 0.488 25483 1323 1 3 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.020 3.441 25483 1324 1 3 . 1 1 59 59 GLN N N 59 112.113 112.113 117.327 -5.214 25483 1325 1 3 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.664 0.156 25483 1326 1 3 . 1 1 59 59 GLN C C 59 175.655 175.655 175.882 -0.227 25483 1327 1 3 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.769 0.399 25483 1328 1 3 . 1 1 59 59 GLN CB C 59 31.479 31.479 30.447 1.032 25483 1329 1 3 . 1 1 59 59 GLN H H 59 8.041 8.041 8.181 -0.140 25483 1330 1 3 . 1 1 60 60 ILE N N 60 123.134 123.134 121.990 1.144 25483 1331 1 3 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.854 0.104 25483 1332 1 3 . 1 1 60 60 ILE C C 60 174.350 174.350 174.589 -0.239 25483 1333 1 3 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.357 1.817 25483 1334 1 3 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.764 1.063 25483 1335 1 3 . 1 1 60 60 ILE H H 60 8.940 8.940 7.883 1.057 25483 1336 1 3 . 1 1 61 61 PHE N N 61 128.163 128.163 123.877 4.286 25483 1337 1 3 . 1 1 61 61 PHE HA H 61 5.393 5.393 5.211 0.182 25483 1338 1 3 . 1 1 61 61 PHE C C 61 174.659 174.659 174.876 -0.217 25483 1339 1 3 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.533 0.113 25483 1340 1 3 . 1 1 61 61 PHE CB C 61 41.735 41.735 41.893 -0.158 25483 1341 1 3 . 1 1 61 61 PHE H H 61 9.645 9.645 9.122 0.523 25483 1342 1 3 . 1 1 62 62 ILE N N 62 122.592 122.592 118.384 4.208 25483 1343 1 3 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.833 -0.203 25483 1344 1 3 . 1 1 62 62 ILE C C 62 175.360 175.360 176.716 -1.356 25483 1345 1 3 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.276 1.732 25483 1346 1 3 . 1 1 62 62 ILE CB C 62 39.569 39.569 39.693 -0.124 25483 1347 1 3 . 1 1 62 62 ILE H H 62 9.066 9.066 7.893 1.173 25483 1348 1 3 . 1 1 63 63 GLY N N 63 116.263 116.263 117.507 -1.244 25483 1349 1 3 . 1 1 63 63 GLY C C 63 175.630 175.630 174.536 1.094 25483 1350 1 3 . 1 1 63 63 GLY CA C 63 47.253 47.253 45.981 1.272 25483 1351 1 3 . 1 1 63 63 GLY H H 63 9.307 9.307 8.730 0.577 25483 1352 1 3 . 1 1 64 64 SER N N 64 122.053 122.053 111.730 10.323 25483 1353 1 3 . 1 1 64 64 SER HA H 64 4.566 4.566 4.178 0.388 25483 1354 1 3 . 1 1 64 64 SER C C 64 173.891 173.891 173.899 -0.008 25483 1355 1 3 . 1 1 64 64 SER CA C 64 59.071 59.071 59.155 -0.084 25483 1356 1 3 . 1 1 64 64 SER CB C 64 63.895 63.895 62.895 1.000 25483 1357 1 3 . 1 1 64 64 SER H H 64 9.236 9.236 8.486 0.750 25483 1358 1 3 . 1 1 65 65 VAL N N 65 124.553 124.553 119.791 4.762 25483 1359 1 3 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.237 -0.160 25483 1360 1 3 . 1 1 65 65 VAL C C 65 175.294 175.294 174.976 0.318 25483 1361 1 3 . 1 1 65 65 VAL CA C 65 62.735 62.735 60.768 1.967 25483 1362 1 3 . 1 1 65 65 VAL CB C 65 33.078 33.078 33.743 -0.665 25483 1363 1 3 . 1 1 65 65 VAL H H 65 8.494 8.494 7.485 1.009 25483 1364 1 3 . 1 1 66 66 HIS N N 66 102.561 102.561 124.334 -21.773 25483 1365 1 3 . 1 1 66 66 HIS HA H 66 4.362 4.362 3.922 0.440 25483 1366 1 3 . 1 1 66 66 HIS CA C 66 54.613 54.613 56.675 -2.062 25483 1367 1 3 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.282 0.659 25483 1368 1 3 . 1 1 66 66 HIS H H 66 8.966 8.966 8.533 0.433 25483 1369 1 3 . 1 1 67 67 VAL N N 67 130.151 130.151 124.602 5.549 25483 1370 1 3 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.248 -0.818 25483 1371 1 3 . 1 1 67 67 VAL C C 67 174.677 174.677 175.866 -1.189 25483 1372 1 3 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.845 3.184 25483 1373 1 3 . 1 1 67 67 VAL CB C 67 32.426 32.426 35.175 -2.749 25483 1374 1 3 . 1 1 67 67 VAL H H 67 8.214 8.214 7.272 0.942 25483 1375 1 3 . 1 1 68 68 GLY N N 68 102.768 102.768 113.216 -10.448 25483 1376 1 3 . 1 1 68 68 GLY C C 68 173.023 173.023 174.585 -1.562 25483 1377 1 3 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.443 -3.663 25483 1378 1 3 . 1 1 68 68 GLY H H 68 6.436 6.436 8.603 -2.167 25483 1379 1 3 . 1 1 69 69 GLY N N 69 110.061 110.061 106.984 3.077 25483 1380 1 3 . 1 1 69 69 GLY C C 69 175.375 175.375 174.146 1.229 25483 1381 1 3 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.775 -0.852 25483 1382 1 3 . 1 1 69 69 GLY H H 69 9.004 9.004 7.457 1.547 25483 1383 1 3 . 1 1 70 70 SER N N 70 113.592 113.592 117.029 -3.437 25483 1384 1 3 . 1 1 70 70 SER HA H 70 3.894 3.894 3.922 -0.028 25483 1385 1 3 . 1 1 70 70 SER CA C 70 62.816 62.816 62.186 0.630 25483 1386 1 3 . 1 1 70 70 SER H H 70 8.088 8.088 8.265 -0.177 25483 1387 1 3 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.231 0.173 25483 1388 1 3 . 1 1 71 71 ASP C C 71 179.115 179.115 177.770 1.345 25483 1389 1 3 . 1 1 71 71 ASP CA C 71 57.610 57.610 56.739 0.871 25483 1390 1 3 . 1 1 71 71 ASP CB C 71 39.325 39.325 39.828 -0.503 25483 1391 1 3 . 1 1 72 72 ASP N N 72 119.325 119.325 120.720 -1.395 25483 1392 1 3 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.593 -0.247 25483 1393 1 3 . 1 1 72 72 ASP C C 72 177.816 177.816 178.396 -0.580 25483 1394 1 3 . 1 1 72 72 ASP CA C 72 57.213 57.213 55.991 1.222 25483 1395 1 3 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.945 0.464 25483 1396 1 3 . 1 1 72 72 ASP H H 72 7.232 7.232 7.389 -0.157 25483 1397 1 3 . 1 1 73 73 LEU N N 73 121.336 121.336 122.458 -1.122 25483 1398 1 3 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.798 -0.025 25483 1399 1 3 . 1 1 73 73 LEU C C 73 177.957 177.957 178.342 -0.385 25483 1400 1 3 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.440 -0.086 25483 1401 1 3 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.924 0.252 25483 1402 1 3 . 1 1 73 73 LEU H H 73 7.789 7.789 8.409 -0.620 25483 1403 1 3 . 1 1 74 74 TYR N N 74 116.570 116.570 117.276 -0.706 25483 1404 1 3 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.153 -0.404 25483 1405 1 3 . 1 1 74 74 TYR C C 74 178.275 178.275 177.743 0.532 25483 1406 1 3 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.466 1.232 25483 1407 1 3 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.883 -0.372 25483 1408 1 3 . 1 1 74 74 TYR H H 74 8.318 8.318 8.441 -0.123 25483 1409 1 3 . 1 1 75 75 ALA N N 75 122.593 122.593 122.616 -0.023 25483 1410 1 3 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.988 0.267 25483 1411 1 3 . 1 1 75 75 ALA C C 75 180.162 180.162 179.509 0.653 25483 1412 1 3 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.064 0.539 25483 1413 1 3 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.101 -0.472 25483 1414 1 3 . 1 1 75 75 ALA H H 75 8.082 8.082 7.588 0.494 25483 1415 1 3 . 1 1 76 76 LEU N N 76 116.647 116.647 118.672 -2.025 25483 1416 1 3 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.898 0.157 25483 1417 1 3 . 1 1 76 76 LEU C C 76 179.538 179.538 179.027 0.511 25483 1418 1 3 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.861 -0.005 25483 1419 1 3 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.390 1.287 25483 1420 1 3 . 1 1 76 76 LEU H H 76 7.389 7.389 8.160 -0.771 25483 1421 1 3 . 1 1 77 77 GLU N N 77 121.342 121.342 119.863 1.479 25483 1422 1 3 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.940 0.657 25483 1423 1 3 . 1 1 77 77 GLU C C 77 179.674 179.674 179.068 0.606 25483 1424 1 3 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.599 -1.568 25483 1425 1 3 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.146 -1.029 25483 1426 1 3 . 1 1 77 77 GLU H H 77 7.461 7.461 7.550 -0.089 25483 1427 1 3 . 1 1 78 78 ASP N N 78 123.339 123.339 119.470 3.869 25483 1428 1 3 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.441 0.010 25483 1429 1 3 . 1 1 78 78 ASP C C 78 178.412 178.412 178.482 -0.070 25483 1430 1 3 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.923 0.547 25483 1431 1 3 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.909 -0.365 25483 1432 1 3 . 1 1 78 78 ASP H H 78 8.650 8.650 8.005 0.645 25483 1433 1 3 . 1 1 79 79 GLU N N 79 115.360 115.360 117.536 -2.176 25483 1434 1 3 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.228 0.104 25483 1435 1 3 . 1 1 79 79 GLU C C 79 176.861 176.861 177.732 -0.871 25483 1436 1 3 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.034 -0.719 25483 1437 1 3 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.227 0.474 25483 1438 1 3 . 1 1 79 79 GLU H H 79 7.791 7.791 7.860 -0.069 25483 1439 1 3 . 1 1 80 80 GLY N N 80 108.851 108.851 107.260 1.591 25483 1440 1 3 . 1 1 80 80 GLY C C 80 176.085 176.085 174.222 1.863 25483 1441 1 3 . 1 1 80 80 GLY CA C 80 46.241 46.241 44.912 1.329 25483 1442 1 3 . 1 1 80 80 GLY H H 80 8.078 8.078 8.035 0.043 25483 1443 1 3 . 1 1 81 81 LYS N N 81 116.858 116.858 118.600 -1.742 25483 1444 1 3 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.728 -0.283 25483 1445 1 3 . 1 1 81 81 LYS C C 81 176.789 176.789 176.433 0.356 25483 1446 1 3 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.012 1.556 25483 1447 1 3 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.533 2.471 25483 1448 1 3 . 1 1 81 81 LYS H H 81 8.216 8.216 8.401 -0.185 25483 1449 1 3 . 1 1 82 82 LEU N N 82 122.543 122.543 118.697 3.846 25483 1450 1 3 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.052 -0.011 25483 1451 1 3 . 1 1 82 82 LEU C C 82 177.466 177.466 177.673 -0.207 25483 1452 1 3 . 1 1 82 82 LEU CA C 82 57.497 57.497 58.500 -1.003 25483 1453 1 3 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.291 -0.802 25483 1454 1 3 . 1 1 82 82 LEU H H 82 7.516 7.516 7.981 -0.465 25483 1455 1 3 . 1 1 83 83 ASP N N 83 119.643 119.643 120.309 -0.666 25483 1456 1 3 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.268 0.038 25483 1457 1 3 . 1 1 83 83 ASP C C 83 178.744 178.744 178.299 0.445 25483 1458 1 3 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.591 1.147 25483 1459 1 3 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.085 -0.131 25483 1460 1 3 . 1 1 83 83 ASP H H 83 8.662 8.662 8.769 -0.107 25483 1461 1 3 . 1 1 84 84 SER N N 84 113.208 113.208 114.752 -1.544 25483 1462 1 3 . 1 1 84 84 SER HA H 84 4.266 4.266 4.265 0.001 25483 1463 1 3 . 1 1 84 84 SER C C 84 177.581 177.581 176.399 1.182 25483 1464 1 3 . 1 1 84 84 SER CA C 84 61.483 61.483 60.661 0.822 25483 1465 1 3 . 1 1 84 84 SER CB C 84 62.667 62.667 63.025 -0.358 25483 1466 1 3 . 1 1 84 84 SER H H 84 8.425 8.425 8.166 0.259 25483 1467 1 3 . 1 1 85 85 LEU N N 85 126.393 126.393 123.786 2.607 25483 1468 1 3 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.151 0.204 25483 1469 1 3 . 1 1 85 85 LEU C C 85 178.692 178.692 178.211 0.481 25483 1470 1 3 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.001 0.408 25483 1471 1 3 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.181 -0.666 25483 1472 1 3 . 1 1 85 85 LEU H H 85 7.577 7.577 7.319 0.258 25483 1473 1 3 . 1 1 86 86 LEU N N 86 117.833 117.833 113.449 4.384 25483 1474 1 3 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.445 -0.562 25483 1475 1 3 . 1 1 86 86 LEU C C 86 177.470 177.470 178.167 -0.697 25483 1476 1 3 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.815 0.966 25483 1477 1 3 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.501 0.301 25483 1478 1 3 . 1 1 86 86 LEU H H 86 8.406 8.406 8.241 0.165 25483 1479 1 3 . 1 1 87 87 LYS N N 87 113.997 113.997 117.536 -3.539 25483 1480 1 3 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.281 0.108 25483 1481 1 3 . 1 1 87 87 LYS C C 87 178.282 178.282 177.456 0.826 25483 1482 1 3 . 1 1 87 87 LYS CA C 87 58.334 58.334 57.984 0.350 25483 1483 1 3 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.447 0.466 25483 1484 1 3 . 1 1 87 87 LYS H H 87 7.548 7.548 8.084 -0.536 25483 1485 1 3 . 1 1 88 88 THR N N 88 106.050 106.050 106.551 -0.501 25483 1486 1 3 . 1 1 88 88 THR HA H 88 4.545 4.545 4.457 0.088 25483 1487 1 3 . 1 1 88 88 THR C C 88 176.566 176.566 174.031 2.535 25483 1488 1 3 . 1 1 88 88 THR CA C 88 62.396 62.396 62.339 0.057 25483 1489 1 3 . 1 1 88 88 THR CB C 88 72.438 72.438 71.990 0.448 25483 1490 1 3 . 1 1 88 88 THR H H 88 8.178 8.178 7.984 0.194 25483 1491 1 3 . 1 1 89 89 GLY N N 89 112.811 112.811 111.863 0.948 25483 1492 1 3 . 1 1 89 89 GLY C C 89 171.985 171.985 172.789 -0.804 25483 1493 1 3 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.210 1.606 25483 1494 1 3 . 1 1 89 89 GLY H H 89 9.153 9.153 8.127 1.026 25483 1495 1 3 . 1 1 90 90 LYS N N 90 117.650 117.650 123.703 -6.053 25483 1496 1 3 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.648 -0.138 25483 1497 1 3 . 1 1 90 90 LYS C C 90 174.330 174.330 176.106 -1.776 25483 1498 1 3 . 1 1 90 90 LYS CA C 90 54.609 54.609 53.870 0.739 25483 1499 1 3 . 1 1 90 90 LYS CB C 90 35.701 35.701 34.163 1.538 25483 1500 1 3 . 1 1 90 90 LYS H H 90 7.940 7.940 8.142 -0.202 25483 1501 1 3 . 1 1 91 91 LEU N N 91 123.149 123.149 125.355 -2.206 25483 1502 1 3 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.179 0.290 25483 1503 1 3 . 1 1 91 91 LEU C C 91 175.848 175.848 177.233 -1.385 25483 1504 1 3 . 1 1 91 91 LEU CA C 91 54.600 54.600 56.673 -2.074 25483 1505 1 3 . 1 1 91 91 LEU CB C 91 43.011 43.011 41.702 1.309 25483 1506 1 3 . 1 1 91 91 LEU H H 91 8.501 8.501 8.365 0.136 25483 1507 1 4 . 1 1 3 3 GLY N N 3 110.312 110.312 107.794 2.518 25483 1508 1 4 . 1 1 3 3 GLY C C 3 174.169 174.169 174.090 0.079 25483 1509 1 4 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.737 0.738 25483 1510 1 4 . 1 1 3 3 GLY H H 3 8.679 8.679 8.571 0.108 25483 1511 1 4 . 1 1 4 4 SER N N 4 115.617 115.617 119.240 -3.623 25483 1512 1 4 . 1 1 4 4 SER HA H 4 4.499 4.499 4.452 0.047 25483 1513 1 4 . 1 1 4 4 SER C C 4 174.408 174.408 174.514 -0.106 25483 1514 1 4 . 1 1 4 4 SER CA C 4 58.541 58.541 58.087 0.454 25483 1515 1 4 . 1 1 4 4 SER CB C 4 63.920 63.920 63.589 0.331 25483 1516 1 4 . 1 1 4 4 SER H H 4 8.237 8.237 8.346 -0.109 25483 1517 1 4 . 1 1 5 5 MET N N 5 121.390 121.390 119.710 1.680 25483 1518 1 4 . 1 1 5 5 MET HA H 5 4.702 4.702 4.498 0.204 25483 1519 1 4 . 1 1 5 5 MET C C 5 176.122 176.122 176.714 -0.592 25483 1520 1 4 . 1 1 5 5 MET CA C 5 55.600 55.600 54.453 1.147 25483 1521 1 4 . 1 1 5 5 MET CB C 5 34.357 34.357 32.895 1.462 25483 1522 1 4 . 1 1 5 5 MET H H 5 8.309 8.309 7.413 0.896 25483 1523 1 4 . 1 1 6 6 VAL N N 6 117.990 117.990 117.638 0.352 25483 1524 1 4 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.092 0.109 25483 1525 1 4 . 1 1 6 6 VAL C C 6 174.450 174.450 175.082 -0.632 25483 1526 1 4 . 1 1 6 6 VAL CA C 6 61.418 61.418 62.289 -0.872 25483 1527 1 4 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.437 0.148 25483 1528 1 4 . 1 1 6 6 VAL H H 6 8.175 8.175 8.634 -0.459 25483 1529 1 4 . 1 1 7 7 ASP N N 7 121.785 121.785 118.895 2.890 25483 1530 1 4 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.882 -0.314 25483 1531 1 4 . 1 1 7 7 ASP C C 7 175.866 175.866 175.093 0.773 25483 1532 1 4 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.235 1.933 25483 1533 1 4 . 1 1 7 7 ASP CB C 7 41.599 41.599 44.044 -2.445 25483 1534 1 4 . 1 1 7 7 ASP H H 7 8.332 8.332 8.405 -0.073 25483 1535 1 4 . 1 1 8 8 VAL N N 8 124.023 124.023 122.110 1.913 25483 1536 1 4 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.743 0.255 25483 1537 1 4 . 1 1 8 8 VAL C C 8 174.859 174.859 176.140 -1.281 25483 1538 1 4 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.573 -1.112 25483 1539 1 4 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.576 0.745 25483 1540 1 4 . 1 1 8 8 VAL H H 8 8.658 8.658 8.618 0.040 25483 1541 1 4 . 1 1 9 9 ILE N N 9 129.744 129.744 126.686 3.058 25483 1542 1 4 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.516 0.495 25483 1543 1 4 . 1 1 9 9 ILE C C 9 174.323 174.323 174.186 0.137 25483 1544 1 4 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.522 -0.825 25483 1545 1 4 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.872 -1.593 25483 1546 1 4 . 1 1 9 9 ILE H H 9 9.306 9.306 8.505 0.801 25483 1547 1 4 . 1 1 10 10 ILE N N 10 123.657 123.657 121.676 1.981 25483 1548 1 4 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.319 0.080 25483 1549 1 4 . 1 1 10 10 ILE C C 10 173.066 173.066 173.854 -0.788 25483 1550 1 4 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.931 -0.442 25483 1551 1 4 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.817 -1.020 25483 1552 1 4 . 1 1 10 10 ILE H H 10 8.734 8.734 8.833 -0.099 25483 1553 1 4 . 1 1 11 11 TYR N N 11 128.973 128.973 127.694 1.279 25483 1554 1 4 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.657 1.030 25483 1555 1 4 . 1 1 11 11 TYR C C 11 176.756 176.756 174.418 2.338 25483 1556 1 4 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.827 -1.419 25483 1557 1 4 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.669 1.615 25483 1558 1 4 . 1 1 11 11 TYR H H 11 9.292 9.292 9.000 0.292 25483 1559 1 4 . 1 1 12 12 THR N N 12 112.725 112.725 117.507 -4.782 25483 1560 1 4 . 1 1 12 12 THR HA H 12 5.732 5.732 4.485 1.247 25483 1561 1 4 . 1 1 12 12 THR C C 12 172.866 172.866 172.809 0.057 25483 1562 1 4 . 1 1 12 12 THR CA C 12 59.671 59.671 61.402 -1.731 25483 1563 1 4 . 1 1 12 12 THR CB C 12 72.735 72.735 70.690 2.045 25483 1564 1 4 . 1 1 12 12 THR H H 12 9.253 9.253 8.139 1.114 25483 1565 1 4 . 1 1 13 13 ARG N N 13 116.857 116.857 122.151 -5.294 25483 1566 1 4 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.476 0.309 25483 1567 1 4 . 1 1 13 13 ARG C C 13 173.407 173.407 175.298 -1.891 25483 1568 1 4 . 1 1 13 13 ARG CA C 13 53.254 53.254 54.928 -1.674 25483 1569 1 4 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.237 1.360 25483 1570 1 4 . 1 1 13 13 ARG H H 13 8.695 8.695 8.359 0.336 25483 1571 1 4 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.298 -0.137 25483 1572 1 4 . 1 1 14 14 PRO C C 14 177.642 177.642 177.010 0.632 25483 1573 1 4 . 1 1 14 14 PRO CA C 14 57.978 57.978 62.763 -4.785 25483 1574 1 4 . 1 1 14 14 PRO CB C 14 30.197 30.197 30.296 -0.099 25483 1575 1 4 . 1 1 15 15 GLY N N 15 108.958 108.958 115.035 -6.077 25483 1576 1 4 . 1 1 15 15 GLY C C 15 173.520 173.520 173.914 -0.394 25483 1577 1 4 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.533 0.500 25483 1578 1 4 . 1 1 15 15 GLY H H 15 8.534 8.534 8.616 -0.082 25483 1579 1 4 . 1 1 16 16 CYS N N 16 122.701 122.701 120.861 1.840 25483 1580 1 4 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.390 0.645 25483 1581 1 4 . 1 1 16 16 CYS C C 16 175.994 175.994 173.622 2.372 25483 1582 1 4 . 1 1 16 16 CYS CA C 16 55.218 55.218 58.840 -3.622 25483 1583 1 4 . 1 1 16 16 CYS CB C 16 31.714 31.714 26.678 5.036 25483 1584 1 4 . 1 1 16 16 CYS H H 16 7.476 7.476 8.550 -1.074 25483 1585 1 4 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.126 0.214 25483 1586 1 4 . 1 1 17 17 PRO C C 17 178.531 178.531 176.332 2.199 25483 1587 1 4 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.606 1.925 25483 1588 1 4 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.093 0.047 25483 1589 1 4 . 1 1 18 18 TYR N N 18 121.799 121.799 118.034 3.765 25483 1590 1 4 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.657 -0.235 25483 1591 1 4 . 1 1 18 18 TYR C C 18 178.508 178.508 175.205 3.303 25483 1592 1 4 . 1 1 18 18 TYR CA C 18 61.076 61.076 57.704 3.372 25483 1593 1 4 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.416 2.017 25483 1594 1 4 . 1 1 18 18 TYR H H 18 8.148 8.148 8.567 -0.419 25483 1595 1 4 . 1 1 19 19 CYS N N 19 122.966 122.966 120.160 2.806 25483 1596 1 4 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.626 -0.624 25483 1597 1 4 . 1 1 19 19 CYS C C 19 177.642 177.642 175.522 2.120 25483 1598 1 4 . 1 1 19 19 CYS CA C 19 64.471 64.471 57.599 6.872 25483 1599 1 4 . 1 1 19 19 CYS CB C 19 31.017 31.017 27.525 3.492 25483 1600 1 4 . 1 1 19 19 CYS H H 19 7.833 7.833 7.956 -0.123 25483 1601 1 4 . 1 1 20 20 ALA N N 20 121.738 121.738 123.156 -1.418 25483 1602 1 4 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.312 -0.162 25483 1603 1 4 . 1 1 20 20 ALA C C 20 180.531 180.531 179.172 1.359 25483 1604 1 4 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.186 1.398 25483 1605 1 4 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.948 -0.919 25483 1606 1 4 . 1 1 20 20 ALA H H 20 7.080 7.080 8.428 -1.348 25483 1607 1 4 . 1 1 21 21 ARG N N 21 119.812 119.812 119.490 0.322 25483 1608 1 4 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.142 0.100 25483 1609 1 4 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.431 -1.506 25483 1610 1 4 . 1 1 21 21 ARG CB C 21 29.868 29.868 30.138 -0.270 25483 1611 1 4 . 1 1 21 21 ARG H H 21 8.039 8.039 8.348 -0.309 25483 1612 1 4 . 1 1 22 22 ALA N N 22 124.459 124.459 120.289 4.170 25483 1613 1 4 . 1 1 22 22 ALA HA H 22 4.140 4.140 4.118 0.022 25483 1614 1 4 . 1 1 22 22 ALA C C 22 178.267 178.267 179.416 -1.149 25483 1615 1 4 . 1 1 22 22 ALA CA C 22 55.671 55.671 55.272 0.400 25483 1616 1 4 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.282 0.943 25483 1617 1 4 . 1 1 22 22 ALA H H 22 7.768 7.768 8.584 -0.816 25483 1618 1 4 . 1 1 23 23 LYS N N 23 116.014 116.014 117.350 -1.336 25483 1619 1 4 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.572 -0.271 25483 1620 1 4 . 1 1 23 23 LYS C C 23 177.995 177.995 178.440 -0.445 25483 1621 1 4 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.816 2.906 25483 1622 1 4 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.725 -0.075 25483 1623 1 4 . 1 1 23 23 LYS H H 23 7.984 7.984 7.582 0.402 25483 1624 1 4 . 1 1 24 24 ALA N N 24 120.042 120.042 122.576 -2.534 25483 1625 1 4 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.071 0.139 25483 1626 1 4 . 1 1 24 24 ALA C C 24 180.610 180.610 179.820 0.790 25483 1627 1 4 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.928 -0.063 25483 1628 1 4 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.113 -0.177 25483 1629 1 4 . 1 1 24 24 ALA H H 24 8.040 8.040 7.429 0.611 25483 1630 1 4 . 1 1 25 25 LEU N N 25 119.514 119.514 119.294 0.220 25483 1631 1 4 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.898 0.254 25483 1632 1 4 . 1 1 25 25 LEU C C 25 177.834 177.834 178.579 -0.745 25483 1633 1 4 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.734 -0.046 25483 1634 1 4 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.593 -0.858 25483 1635 1 4 . 1 1 25 25 LEU H H 25 7.150 7.150 7.543 -0.393 25483 1636 1 4 . 1 1 26 26 LEU N N 26 117.253 117.253 116.604 0.649 25483 1637 1 4 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.863 -0.110 25483 1638 1 4 . 1 1 26 26 LEU C C 26 178.553 178.553 178.206 0.347 25483 1639 1 4 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.488 0.987 25483 1640 1 4 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.361 -0.297 25483 1641 1 4 . 1 1 26 26 LEU H H 26 7.576 7.576 7.602 -0.026 25483 1642 1 4 . 1 1 27 27 ALA N N 27 119.606 119.606 118.486 1.120 25483 1643 1 4 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.345 -0.004 25483 1644 1 4 . 1 1 27 27 ALA C C 27 182.219 182.219 179.131 3.088 25483 1645 1 4 . 1 1 27 27 ALA CA C 27 55.326 55.326 53.798 1.528 25483 1646 1 4 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.625 -0.517 25483 1647 1 4 . 1 1 27 27 ALA H H 27 8.629 8.629 7.566 1.063 25483 1648 1 4 . 1 1 28 28 ARG N N 28 121.081 121.081 119.686 1.395 25483 1649 1 4 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.224 -0.059 25483 1650 1 4 . 1 1 28 28 ARG C C 28 178.659 178.659 177.668 0.991 25483 1651 1 4 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.236 0.945 25483 1652 1 4 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.791 -0.871 25483 1653 1 4 . 1 1 28 28 ARG H H 28 7.992 7.992 7.859 0.133 25483 1654 1 4 . 1 1 29 29 LYS N N 29 115.790 115.790 116.399 -0.609 25483 1655 1 4 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.451 -0.217 25483 1656 1 4 . 1 1 29 29 LYS C C 29 176.666 176.666 176.280 0.386 25483 1657 1 4 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.640 -0.695 25483 1658 1 4 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.322 -0.881 25483 1659 1 4 . 1 1 29 29 LYS H H 29 7.663 7.663 7.630 0.033 25483 1660 1 4 . 1 1 30 30 GLY N N 30 107.767 107.767 108.845 -1.078 25483 1661 1 4 . 1 1 30 30 GLY C C 30 174.014 174.014 174.947 -0.933 25483 1662 1 4 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.777 -0.372 25483 1663 1 4 . 1 1 30 30 GLY H H 30 7.930 7.930 7.475 0.455 25483 1664 1 4 . 1 1 31 31 ALA N N 31 122.192 122.192 121.205 0.987 25483 1665 1 4 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.319 0.184 25483 1666 1 4 . 1 1 31 31 ALA C C 31 176.691 176.691 176.616 0.075 25483 1667 1 4 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.099 -0.468 25483 1668 1 4 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.306 -0.368 25483 1669 1 4 . 1 1 31 31 ALA H H 31 7.844 7.844 7.732 0.112 25483 1670 1 4 . 1 1 32 32 GLU N N 32 123.903 123.903 121.211 2.692 25483 1671 1 4 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.270 -0.035 25483 1672 1 4 . 1 1 32 32 GLU C C 32 176.080 176.080 175.308 0.772 25483 1673 1 4 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.837 -0.102 25483 1674 1 4 . 1 1 32 32 GLU CB C 32 29.777 29.777 31.294 -1.517 25483 1675 1 4 . 1 1 32 32 GLU H H 32 8.337 8.337 8.423 -0.086 25483 1676 1 4 . 1 1 33 33 PHE N N 33 116.634 116.634 118.101 -1.467 25483 1677 1 4 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.169 0.063 25483 1678 1 4 . 1 1 33 33 PHE C C 33 173.397 173.397 173.465 -0.068 25483 1679 1 4 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.949 -0.728 25483 1680 1 4 . 1 1 33 33 PHE CB C 33 41.508 41.508 40.796 0.712 25483 1681 1 4 . 1 1 33 33 PHE H H 33 7.640 7.640 7.560 0.080 25483 1682 1 4 . 1 1 34 34 ASN N N 34 120.133 120.133 120.252 -0.119 25483 1683 1 4 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.964 0.007 25483 1684 1 4 . 1 1 34 34 ASN C C 34 173.199 173.199 174.316 -1.117 25483 1685 1 4 . 1 1 34 34 ASN CA C 34 52.180 52.180 51.644 0.536 25483 1686 1 4 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.287 -1.447 25483 1687 1 4 . 1 1 34 34 ASN H H 34 8.921 8.921 8.481 0.440 25483 1688 1 4 . 1 1 35 35 GLU N N 35 126.204 126.204 123.772 2.432 25483 1689 1 4 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.893 0.285 25483 1690 1 4 . 1 1 35 35 GLU C C 35 175.185 175.185 175.920 -0.735 25483 1691 1 4 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.272 -1.721 25483 1692 1 4 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.303 0.134 25483 1693 1 4 . 1 1 35 35 GLU H H 35 8.758 8.758 8.692 0.066 25483 1694 1 4 . 1 1 36 36 ILE N N 36 130.012 130.012 121.178 8.834 25483 1695 1 4 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.200 -0.039 25483 1696 1 4 . 1 1 36 36 ILE C C 36 174.987 174.987 174.438 0.549 25483 1697 1 4 . 1 1 36 36 ILE CA C 36 60.183 60.183 60.097 0.086 25483 1698 1 4 . 1 1 36 36 ILE CB C 36 40.273 40.273 41.016 -0.743 25483 1699 1 4 . 1 1 36 36 ILE H H 36 9.080 9.080 7.883 1.197 25483 1700 1 4 . 1 1 37 37 ASP N N 37 125.921 125.921 128.477 -2.556 25483 1701 1 4 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.768 0.234 25483 1702 1 4 . 1 1 37 37 ASP C C 37 176.847 176.847 175.406 1.441 25483 1703 1 4 . 1 1 37 37 ASP CA C 37 52.878 52.878 53.674 -0.796 25483 1704 1 4 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.148 -0.858 25483 1705 1 4 . 1 1 37 37 ASP H H 37 8.515 8.515 8.600 -0.085 25483 1706 1 4 . 1 1 38 38 ALA N N 38 130.525 130.525 125.609 4.916 25483 1707 1 4 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.551 0.107 25483 1708 1 4 . 1 1 38 38 ALA C C 38 175.507 175.507 177.417 -1.910 25483 1709 1 4 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.268 0.652 25483 1710 1 4 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.947 -0.335 25483 1711 1 4 . 1 1 38 38 ALA H H 38 8.845 8.845 8.040 0.805 25483 1712 1 4 . 1 1 39 39 SER N N 39 111.653 111.653 110.647 1.006 25483 1713 1 4 . 1 1 39 39 SER HA H 39 4.425 4.425 4.091 0.334 25483 1714 1 4 . 1 1 39 39 SER C C 39 176.988 176.988 174.034 2.954 25483 1715 1 4 . 1 1 39 39 SER CA C 39 59.504 59.504 59.374 0.130 25483 1716 1 4 . 1 1 39 39 SER CB C 39 64.768 64.768 61.702 3.066 25483 1717 1 4 . 1 1 39 39 SER H H 39 8.727 8.727 9.097 -0.370 25483 1718 1 4 . 1 1 40 40 ALA N N 40 124.164 124.164 121.282 2.882 25483 1719 1 4 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.542 -0.313 25483 1720 1 4 . 1 1 40 40 ALA C C 40 178.039 178.039 176.889 1.150 25483 1721 1 4 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.734 2.112 25483 1722 1 4 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.345 0.033 25483 1723 1 4 . 1 1 40 40 ALA H H 40 7.543 7.543 8.329 -0.786 25483 1724 1 4 . 1 1 41 41 THR N N 41 106.060 106.060 112.353 -6.293 25483 1725 1 4 . 1 1 41 41 THR HA H 41 5.006 5.006 4.804 0.202 25483 1726 1 4 . 1 1 41 41 THR C C 41 173.200 173.200 172.725 0.475 25483 1727 1 4 . 1 1 41 41 THR CA C 41 57.856 57.856 59.036 -1.180 25483 1728 1 4 . 1 1 41 41 THR CB C 41 70.541 70.541 70.222 0.319 25483 1729 1 4 . 1 1 41 41 THR H H 41 7.162 7.162 7.475 -0.313 25483 1730 1 4 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.467 -0.142 25483 1731 1 4 . 1 1 42 42 PRO C C 42 179.534 179.534 178.135 1.399 25483 1732 1 4 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.320 0.487 25483 1733 1 4 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.048 -0.307 25483 1734 1 4 . 1 1 43 43 GLU N N 43 118.723 118.723 119.992 -1.269 25483 1735 1 4 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.085 0.023 25483 1736 1 4 . 1 1 43 43 GLU C C 43 179.692 179.692 178.857 0.835 25483 1737 1 4 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.396 1.325 25483 1738 1 4 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.540 -0.989 25483 1739 1 4 . 1 1 43 43 GLU H H 43 9.124 9.124 8.493 0.631 25483 1740 1 4 . 1 1 44 44 LEU N N 44 121.970 121.970 118.964 3.006 25483 1741 1 4 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.553 -0.213 25483 1742 1 4 . 1 1 44 44 LEU C C 44 178.924 178.924 178.779 0.145 25483 1743 1 4 . 1 1 44 44 LEU CA C 44 57.472 57.472 56.013 1.459 25483 1744 1 4 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.235 1.197 25483 1745 1 4 . 1 1 44 44 LEU H H 44 7.838 7.838 7.480 0.358 25483 1746 1 4 . 1 1 45 45 ARG N N 45 122.130 122.130 120.581 1.549 25483 1747 1 4 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.953 0.141 25483 1748 1 4 . 1 1 45 45 ARG C C 45 178.955 178.955 178.355 0.600 25483 1749 1 4 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.415 0.709 25483 1750 1 4 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.076 0.071 25483 1751 1 4 . 1 1 45 45 ARG H H 45 7.762 7.762 7.826 -0.064 25483 1752 1 4 . 1 1 46 46 ALA N N 46 121.165 121.165 121.104 0.061 25483 1753 1 4 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.126 0.010 25483 1754 1 4 . 1 1 46 46 ALA C C 46 179.912 179.912 179.748 0.164 25483 1755 1 4 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.976 -0.031 25483 1756 1 4 . 1 1 46 46 ALA CB C 46 17.712 17.712 17.985 -0.273 25483 1757 1 4 . 1 1 46 46 ALA H H 46 8.160 8.160 7.804 0.356 25483 1758 1 4 . 1 1 47 47 GLU N N 47 120.906 120.906 118.823 2.083 25483 1759 1 4 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.072 -0.019 25483 1760 1 4 . 1 1 47 47 GLU C C 47 178.039 178.039 179.223 -1.184 25483 1761 1 4 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.169 0.331 25483 1762 1 4 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.620 0.191 25483 1763 1 4 . 1 1 47 47 GLU H H 47 7.918 7.918 7.781 0.137 25483 1764 1 4 . 1 1 48 48 MET N N 48 118.645 118.645 117.182 1.463 25483 1765 1 4 . 1 1 48 48 MET HA H 48 2.897 2.897 4.186 -1.289 25483 1766 1 4 . 1 1 48 48 MET C C 48 180.282 180.282 177.857 2.425 25483 1767 1 4 . 1 1 48 48 MET CA C 48 59.540 59.540 58.771 0.769 25483 1768 1 4 . 1 1 48 48 MET CB C 48 33.502 33.502 32.655 0.847 25483 1769 1 4 . 1 1 48 48 MET H H 48 8.047 8.047 8.080 -0.033 25483 1770 1 4 . 1 1 49 49 GLN N N 49 122.104 122.104 118.564 3.540 25483 1771 1 4 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.110 0.229 25483 1772 1 4 . 1 1 49 49 GLN C C 49 178.780 178.780 177.502 1.278 25483 1773 1 4 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.568 0.176 25483 1774 1 4 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.448 -0.210 25483 1775 1 4 . 1 1 49 49 GLN H H 49 8.237 8.237 7.889 0.348 25483 1776 1 4 . 1 1 50 50 GLU N N 50 121.947 121.947 118.987 2.960 25483 1777 1 4 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.254 -0.285 25483 1778 1 4 . 1 1 50 50 GLU C C 50 178.863 178.863 178.314 0.549 25483 1779 1 4 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.056 1.075 25483 1780 1 4 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.972 -0.253 25483 1781 1 4 . 1 1 50 50 GLU H H 50 8.659 8.659 7.670 0.989 25483 1782 1 4 . 1 1 51 51 ARG N N 51 115.832 115.832 118.417 -2.585 25483 1783 1 4 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.417 -0.357 25483 1784 1 4 . 1 1 51 51 ARG C C 51 177.748 177.748 176.062 1.686 25483 1785 1 4 . 1 1 51 51 ARG CA C 51 58.480 58.480 54.665 3.815 25483 1786 1 4 . 1 1 51 51 ARG CB C 51 31.158 31.158 29.871 1.287 25483 1787 1 4 . 1 1 51 51 ARG H H 51 8.231 8.231 7.566 0.665 25483 1788 1 4 . 1 1 52 52 SER N N 52 109.790 109.790 115.214 -5.424 25483 1789 1 4 . 1 1 52 52 SER HA H 52 3.759 3.759 4.241 -0.482 25483 1790 1 4 . 1 1 52 52 SER C C 52 174.149 174.149 174.838 -0.689 25483 1791 1 4 . 1 1 52 52 SER CA C 52 58.883 58.883 59.614 -0.731 25483 1792 1 4 . 1 1 52 52 SER CB C 52 66.744 66.744 63.169 3.575 25483 1793 1 4 . 1 1 52 52 SER H H 52 8.032 8.032 7.408 0.624 25483 1794 1 4 . 1 1 53 53 GLY N N 53 112.524 112.524 114.523 -1.999 25483 1795 1 4 . 1 1 53 53 GLY C C 53 173.690 173.690 173.947 -0.257 25483 1796 1 4 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.949 1.144 25483 1797 1 4 . 1 1 53 53 GLY H H 53 8.239 8.239 8.276 -0.037 25483 1798 1 4 . 1 1 54 54 ARG N N 54 119.453 119.453 122.058 -2.605 25483 1799 1 4 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.542 0.111 25483 1800 1 4 . 1 1 54 54 ARG C C 54 174.144 174.144 175.040 -0.896 25483 1801 1 4 . 1 1 54 54 ARG CA C 54 54.660 54.660 55.286 -0.626 25483 1802 1 4 . 1 1 54 54 ARG CB C 54 35.255 35.255 31.790 3.465 25483 1803 1 4 . 1 1 54 54 ARG H H 54 8.309 8.309 8.289 0.020 25483 1804 1 4 . 1 1 55 55 ASN N N 55 112.521 112.521 120.029 -7.508 25483 1805 1 4 . 1 1 55 55 ASN HA H 55 4.693 4.693 5.020 -0.327 25483 1806 1 4 . 1 1 55 55 ASN C C 55 175.197 175.197 175.259 -0.062 25483 1807 1 4 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.805 -1.124 25483 1808 1 4 . 1 1 55 55 ASN CB C 55 39.468 39.468 39.392 0.076 25483 1809 1 4 . 1 1 55 55 ASN H H 55 8.154 8.154 8.524 -0.370 25483 1810 1 4 . 1 1 56 56 THR N N 56 107.919 107.919 113.295 -5.376 25483 1811 1 4 . 1 1 56 56 THR HA H 56 4.356 4.356 4.098 0.258 25483 1812 1 4 . 1 1 56 56 THR C C 56 172.477 172.477 174.304 -1.827 25483 1813 1 4 . 1 1 56 56 THR CA C 56 59.438 59.438 63.176 -3.738 25483 1814 1 4 . 1 1 56 56 THR CB C 56 70.636 70.636 69.073 1.563 25483 1815 1 4 . 1 1 56 56 THR H H 56 6.778 6.778 7.500 -0.722 25483 1816 1 4 . 1 1 57 57 PHE N N 57 117.789 117.789 117.921 -0.132 25483 1817 1 4 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.149 -0.424 25483 1818 1 4 . 1 1 57 57 PHE C C 57 174.241 174.241 173.476 0.765 25483 1819 1 4 . 1 1 57 57 PHE CA C 57 55.088 55.088 52.522 2.566 25483 1820 1 4 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.140 5.366 25483 1821 1 4 . 1 1 57 57 PHE H H 57 8.469 8.469 6.692 1.777 25483 1822 1 4 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.570 1.043 25483 1823 1 4 . 1 1 58 58 PRO C C 58 177.062 177.062 176.128 0.934 25483 1824 1 4 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.740 0.442 25483 1825 1 4 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.147 3.314 25483 1826 1 4 . 1 1 59 59 GLN N N 59 112.113 112.113 117.323 -5.210 25483 1827 1 4 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.752 0.068 25483 1828 1 4 . 1 1 59 59 GLN C C 59 175.655 175.655 175.472 0.183 25483 1829 1 4 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.288 0.880 25483 1830 1 4 . 1 1 59 59 GLN CB C 59 31.479 31.479 30.494 0.985 25483 1831 1 4 . 1 1 59 59 GLN H H 59 8.041 8.041 8.174 -0.133 25483 1832 1 4 . 1 1 60 60 ILE N N 60 123.134 123.134 122.860 0.274 25483 1833 1 4 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.668 0.290 25483 1834 1 4 . 1 1 60 60 ILE C C 60 174.350 174.350 175.147 -0.797 25483 1835 1 4 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.781 1.393 25483 1836 1 4 . 1 1 60 60 ILE CB C 60 40.828 40.828 38.752 2.076 25483 1837 1 4 . 1 1 60 60 ILE H H 60 8.940 8.940 8.181 0.759 25483 1838 1 4 . 1 1 61 61 PHE N N 61 128.163 128.163 122.816 5.347 25483 1839 1 4 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.902 0.491 25483 1840 1 4 . 1 1 61 61 PHE C C 61 174.659 174.659 174.594 0.065 25483 1841 1 4 . 1 1 61 61 PHE CA C 61 56.646 56.646 57.118 -0.472 25483 1842 1 4 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.775 -2.040 25483 1843 1 4 . 1 1 61 61 PHE H H 61 9.645 9.645 8.687 0.958 25483 1844 1 4 . 1 1 62 62 ILE N N 62 122.592 122.592 118.111 4.481 25483 1845 1 4 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.743 -0.113 25483 1846 1 4 . 1 1 62 62 ILE C C 62 175.360 175.360 175.867 -0.507 25483 1847 1 4 . 1 1 62 62 ILE CA C 62 61.008 61.008 60.285 0.723 25483 1848 1 4 . 1 1 62 62 ILE CB C 62 39.569 39.569 40.326 -0.757 25483 1849 1 4 . 1 1 62 62 ILE H H 62 9.066 9.066 8.164 0.902 25483 1850 1 4 . 1 1 63 63 GLY N N 63 116.263 116.263 118.007 -1.744 25483 1851 1 4 . 1 1 63 63 GLY C C 63 175.630 175.630 174.701 0.929 25483 1852 1 4 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.685 0.568 25483 1853 1 4 . 1 1 63 63 GLY H H 63 9.307 9.307 8.332 0.975 25483 1854 1 4 . 1 1 64 64 SER N N 64 122.053 122.053 118.403 3.650 25483 1855 1 4 . 1 1 64 64 SER HA H 64 4.566 4.566 4.747 -0.181 25483 1856 1 4 . 1 1 64 64 SER C C 64 173.891 173.891 173.906 -0.015 25483 1857 1 4 . 1 1 64 64 SER CA C 64 59.071 59.071 57.942 1.129 25483 1858 1 4 . 1 1 64 64 SER CB C 64 63.895 63.895 63.702 0.193 25483 1859 1 4 . 1 1 64 64 SER H H 64 9.236 9.236 8.578 0.658 25483 1860 1 4 . 1 1 65 65 VAL N N 65 124.553 124.553 122.030 2.523 25483 1861 1 4 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.359 -0.282 25483 1862 1 4 . 1 1 65 65 VAL C C 65 175.294 175.294 174.343 0.951 25483 1863 1 4 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.245 1.490 25483 1864 1 4 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.508 -1.430 25483 1865 1 4 . 1 1 65 65 VAL H H 65 8.494 8.494 7.869 0.625 25483 1866 1 4 . 1 1 66 66 HIS N N 66 102.561 102.561 125.611 -23.050 25483 1867 1 4 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.281 0.081 25483 1868 1 4 . 1 1 66 66 HIS CA C 66 54.613 54.613 54.889 -0.277 25483 1869 1 4 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.871 0.070 25483 1870 1 4 . 1 1 66 66 HIS H H 66 8.966 8.966 8.615 0.351 25483 1871 1 4 . 1 1 67 67 VAL N N 67 130.151 130.151 128.011 2.140 25483 1872 1 4 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.365 -0.935 25483 1873 1 4 . 1 1 67 67 VAL C C 67 174.677 174.677 173.857 0.820 25483 1874 1 4 . 1 1 67 67 VAL CA C 67 64.029 64.029 61.293 2.736 25483 1875 1 4 . 1 1 67 67 VAL CB C 67 32.426 32.426 33.452 -1.026 25483 1876 1 4 . 1 1 67 67 VAL H H 67 8.214 8.214 7.538 0.676 25483 1877 1 4 . 1 1 68 68 GLY N N 68 102.768 102.768 115.605 -12.837 25483 1878 1 4 . 1 1 68 68 GLY C C 68 173.023 173.023 173.665 -0.642 25483 1879 1 4 . 1 1 68 68 GLY CA C 68 43.780 43.780 44.650 -0.870 25483 1880 1 4 . 1 1 68 68 GLY H H 68 6.436 6.436 8.352 -1.916 25483 1881 1 4 . 1 1 69 69 GLY N N 69 110.061 110.061 111.876 -1.815 25483 1882 1 4 . 1 1 69 69 GLY C C 69 175.375 175.375 174.429 0.946 25483 1883 1 4 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.562 -0.639 25483 1884 1 4 . 1 1 69 69 GLY H H 69 9.004 9.004 7.414 1.590 25483 1885 1 4 . 1 1 70 70 SER N N 70 113.592 113.592 119.265 -5.673 25483 1886 1 4 . 1 1 70 70 SER HA H 70 3.894 3.894 4.043 -0.149 25483 1887 1 4 . 1 1 70 70 SER CA C 70 62.816 62.816 61.302 1.514 25483 1888 1 4 . 1 1 70 70 SER H H 70 8.088 8.088 7.959 0.129 25483 1889 1 4 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.461 -0.057 25483 1890 1 4 . 1 1 71 71 ASP C C 71 179.115 179.115 177.744 1.371 25483 1891 1 4 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.075 0.535 25483 1892 1 4 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.193 -0.868 25483 1893 1 4 . 1 1 72 72 ASP N N 72 119.325 119.325 121.185 -1.860 25483 1894 1 4 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.440 -0.094 25483 1895 1 4 . 1 1 72 72 ASP C C 72 177.816 177.816 178.439 -0.623 25483 1896 1 4 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.624 0.589 25483 1897 1 4 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.462 0.947 25483 1898 1 4 . 1 1 72 72 ASP H H 72 7.232 7.232 7.732 -0.500 25483 1899 1 4 . 1 1 73 73 LEU N N 73 121.336 121.336 121.149 0.187 25483 1900 1 4 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.990 -0.217 25483 1901 1 4 . 1 1 73 73 LEU C C 73 177.957 177.957 177.979 -0.022 25483 1902 1 4 . 1 1 73 73 LEU CA C 73 58.354 58.354 57.802 0.552 25483 1903 1 4 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.833 0.343 25483 1904 1 4 . 1 1 73 73 LEU H H 73 7.789 7.789 7.750 0.039 25483 1905 1 4 . 1 1 74 74 TYR N N 74 116.570 116.570 117.817 -1.247 25483 1906 1 4 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.249 -0.500 25483 1907 1 4 . 1 1 74 74 TYR C C 74 178.275 178.275 177.654 0.621 25483 1908 1 4 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.478 1.220 25483 1909 1 4 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.952 -0.441 25483 1910 1 4 . 1 1 74 74 TYR H H 74 8.318 8.318 7.566 0.752 25483 1911 1 4 . 1 1 75 75 ALA N N 75 122.593 122.593 123.439 -0.846 25483 1912 1 4 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.983 0.272 25483 1913 1 4 . 1 1 75 75 ALA C C 75 180.162 180.162 179.264 0.898 25483 1914 1 4 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.300 0.303 25483 1915 1 4 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.158 -0.529 25483 1916 1 4 . 1 1 75 75 ALA H H 75 8.082 8.082 8.086 -0.004 25483 1917 1 4 . 1 1 76 76 LEU N N 76 116.647 116.647 118.512 -1.865 25483 1918 1 4 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.894 0.161 25483 1919 1 4 . 1 1 76 76 LEU C C 76 179.538 179.538 179.001 0.537 25483 1920 1 4 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.725 0.131 25483 1921 1 4 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.354 1.323 25483 1922 1 4 . 1 1 76 76 LEU H H 76 7.389 7.389 7.809 -0.420 25483 1923 1 4 . 1 1 77 77 GLU N N 77 121.342 121.342 119.648 1.694 25483 1924 1 4 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.912 0.685 25483 1925 1 4 . 1 1 77 77 GLU C C 77 179.674 179.674 179.000 0.674 25483 1926 1 4 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.577 -1.546 25483 1927 1 4 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.076 -0.959 25483 1928 1 4 . 1 1 77 77 GLU H H 77 7.461 7.461 7.536 -0.075 25483 1929 1 4 . 1 1 78 78 ASP N N 78 123.339 123.339 119.756 3.583 25483 1930 1 4 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.432 0.019 25483 1931 1 4 . 1 1 78 78 ASP C C 78 178.412 178.412 178.625 -0.213 25483 1932 1 4 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.765 0.705 25483 1933 1 4 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.920 -0.376 25483 1934 1 4 . 1 1 78 78 ASP H H 78 8.650 8.650 8.053 0.597 25483 1935 1 4 . 1 1 79 79 GLU N N 79 115.360 115.360 117.073 -1.713 25483 1936 1 4 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.140 0.192 25483 1937 1 4 . 1 1 79 79 GLU C C 79 176.861 176.861 177.578 -0.717 25483 1938 1 4 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.294 -0.979 25483 1939 1 4 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.390 0.311 25483 1940 1 4 . 1 1 79 79 GLU H H 79 7.791 7.791 8.111 -0.320 25483 1941 1 4 . 1 1 80 80 GLY N N 80 108.851 108.851 106.800 2.051 25483 1942 1 4 . 1 1 80 80 GLY C C 80 176.085 176.085 174.458 1.627 25483 1943 1 4 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.149 1.092 25483 1944 1 4 . 1 1 80 80 GLY H H 80 8.078 8.078 7.805 0.273 25483 1945 1 4 . 1 1 81 81 LYS N N 81 116.858 116.858 119.426 -2.568 25483 1946 1 4 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.625 -0.180 25483 1947 1 4 . 1 1 81 81 LYS C C 81 176.789 176.789 176.573 0.216 25483 1948 1 4 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.334 1.234 25483 1949 1 4 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.470 2.534 25483 1950 1 4 . 1 1 81 81 LYS H H 81 8.216 8.216 8.487 -0.271 25483 1951 1 4 . 1 1 82 82 LEU N N 82 122.543 122.543 118.453 4.090 25483 1952 1 4 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.213 -0.172 25483 1953 1 4 . 1 1 82 82 LEU C C 82 177.466 177.466 177.470 -0.004 25483 1954 1 4 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.974 -0.477 25483 1955 1 4 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.461 -0.972 25483 1956 1 4 . 1 1 82 82 LEU H H 82 7.516 7.516 7.788 -0.272 25483 1957 1 4 . 1 1 83 83 ASP N N 83 119.643 119.643 120.230 -0.587 25483 1958 1 4 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.315 -0.009 25483 1959 1 4 . 1 1 83 83 ASP C C 83 178.744 178.744 178.249 0.495 25483 1960 1 4 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.356 1.382 25483 1961 1 4 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.227 -0.273 25483 1962 1 4 . 1 1 83 83 ASP H H 83 8.662 8.662 8.650 0.012 25483 1963 1 4 . 1 1 84 84 SER N N 84 113.208 113.208 114.303 -1.095 25483 1964 1 4 . 1 1 84 84 SER HA H 84 4.266 4.266 4.312 -0.046 25483 1965 1 4 . 1 1 84 84 SER C C 84 177.581 177.581 176.468 1.113 25483 1966 1 4 . 1 1 84 84 SER CA C 84 61.483 61.483 61.073 0.410 25483 1967 1 4 . 1 1 84 84 SER CB C 84 62.667 62.667 63.005 -0.338 25483 1968 1 4 . 1 1 84 84 SER H H 84 8.425 8.425 8.338 0.087 25483 1969 1 4 . 1 1 85 85 LEU N N 85 126.393 126.393 123.438 2.955 25483 1970 1 4 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.317 0.038 25483 1971 1 4 . 1 1 85 85 LEU C C 85 178.692 178.692 178.619 0.073 25483 1972 1 4 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.086 0.323 25483 1973 1 4 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.130 -0.615 25483 1974 1 4 . 1 1 85 85 LEU H H 85 7.577 7.577 7.293 0.284 25483 1975 1 4 . 1 1 86 86 LEU N N 86 117.833 117.833 113.225 4.608 25483 1976 1 4 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.245 -0.362 25483 1977 1 4 . 1 1 86 86 LEU C C 86 177.470 177.470 177.911 -0.441 25483 1978 1 4 . 1 1 86 86 LEU CA C 86 57.781 57.781 57.020 0.761 25483 1979 1 4 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.371 0.431 25483 1980 1 4 . 1 1 86 86 LEU H H 86 8.406 8.406 8.326 0.080 25483 1981 1 4 . 1 1 87 87 LYS N N 87 113.997 113.997 117.034 -3.037 25483 1982 1 4 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.191 0.198 25483 1983 1 4 . 1 1 87 87 LYS C C 87 178.282 178.282 177.196 1.086 25483 1984 1 4 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.584 -0.250 25483 1985 1 4 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.962 -0.049 25483 1986 1 4 . 1 1 87 87 LYS H H 87 7.548 7.548 7.620 -0.072 25483 1987 1 4 . 1 1 88 88 THR N N 88 106.050 106.050 109.391 -3.341 25483 1988 1 4 . 1 1 88 88 THR HA H 88 4.545 4.545 4.418 0.127 25483 1989 1 4 . 1 1 88 88 THR C C 88 176.566 176.566 173.165 3.401 25483 1990 1 4 . 1 1 88 88 THR CA C 88 62.396 62.396 62.538 -0.142 25483 1991 1 4 . 1 1 88 88 THR CB C 88 72.438 72.438 72.106 0.332 25483 1992 1 4 . 1 1 88 88 THR H H 88 8.178 8.178 8.224 -0.046 25483 1993 1 4 . 1 1 89 89 GLY N N 89 112.811 112.811 110.660 2.151 25483 1994 1 4 . 1 1 89 89 GLY C C 89 171.985 171.985 172.464 -0.479 25483 1995 1 4 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.030 1.786 25483 1996 1 4 . 1 1 89 89 GLY H H 89 9.153 9.153 7.918 1.235 25483 1997 1 4 . 1 1 90 90 LYS N N 90 117.650 117.650 124.504 -6.854 25483 1998 1 4 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.739 -0.229 25483 1999 1 4 . 1 1 90 90 LYS C C 90 174.330 174.330 175.465 -1.135 25483 2000 1 4 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.232 0.377 25483 2001 1 4 . 1 1 90 90 LYS CB C 90 35.701 35.701 34.607 1.094 25483 2002 1 4 . 1 1 90 90 LYS H H 90 7.940 7.940 8.351 -0.411 25483 2003 1 4 . 1 1 91 91 LEU N N 91 123.149 123.149 120.419 2.730 25483 2004 1 4 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.481 -0.012 25483 2005 1 4 . 1 1 91 91 LEU C C 91 175.848 175.848 177.401 -1.553 25483 2006 1 4 . 1 1 91 91 LEU CA C 91 54.600 54.600 56.354 -1.754 25483 2007 1 4 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.248 0.763 25483 2008 1 4 . 1 1 91 91 LEU H H 91 8.501 8.501 8.419 0.082 25483 2009 1 5 . 1 1 3 3 GLY N N 3 110.312 110.312 109.017 1.295 25483 2010 1 5 . 1 1 3 3 GLY C C 3 174.169 174.169 173.990 0.179 25483 2011 1 5 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.959 0.516 25483 2012 1 5 . 1 1 3 3 GLY H H 3 8.679 8.679 8.063 0.616 25483 2013 1 5 . 1 1 4 4 SER N N 4 115.617 115.617 118.970 -3.353 25483 2014 1 5 . 1 1 4 4 SER HA H 4 4.499 4.499 4.683 -0.184 25483 2015 1 5 . 1 1 4 4 SER C C 4 174.408 174.408 173.902 0.506 25483 2016 1 5 . 1 1 4 4 SER CA C 4 58.541 58.541 57.986 0.555 25483 2017 1 5 . 1 1 4 4 SER CB C 4 63.920 63.920 65.364 -1.444 25483 2018 1 5 . 1 1 4 4 SER H H 4 8.237 8.237 8.401 -0.164 25483 2019 1 5 . 1 1 5 5 MET N N 5 121.390 121.390 122.752 -1.362 25483 2020 1 5 . 1 1 5 5 MET HA H 5 4.702 4.702 4.739 -0.037 25483 2021 1 5 . 1 1 5 5 MET C C 5 176.122 176.122 175.680 0.442 25483 2022 1 5 . 1 1 5 5 MET CA C 5 55.600 55.600 54.866 0.734 25483 2023 1 5 . 1 1 5 5 MET CB C 5 34.357 34.357 33.936 0.421 25483 2024 1 5 . 1 1 5 5 MET H H 5 8.309 8.309 8.414 -0.105 25483 2025 1 5 . 1 1 6 6 VAL N N 6 117.990 117.990 118.270 -0.280 25483 2026 1 5 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.047 0.154 25483 2027 1 5 . 1 1 6 6 VAL C C 6 174.450 174.450 174.968 -0.518 25483 2028 1 5 . 1 1 6 6 VAL CA C 6 61.418 61.418 62.544 -1.126 25483 2029 1 5 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.190 0.395 25483 2030 1 5 . 1 1 6 6 VAL H H 6 8.175 8.175 8.296 -0.120 25483 2031 1 5 . 1 1 7 7 ASP N N 7 121.785 121.785 124.485 -2.700 25483 2032 1 5 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.876 -0.308 25483 2033 1 5 . 1 1 7 7 ASP C C 7 175.866 175.866 175.424 0.442 25483 2034 1 5 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.121 2.046 25483 2035 1 5 . 1 1 7 7 ASP CB C 7 41.599 41.599 44.716 -3.117 25483 2036 1 5 . 1 1 7 7 ASP H H 7 8.332 8.332 8.137 0.195 25483 2037 1 5 . 1 1 8 8 VAL N N 8 124.023 124.023 122.128 1.895 25483 2038 1 5 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.498 0.500 25483 2039 1 5 . 1 1 8 8 VAL C C 8 174.859 174.859 175.670 -0.811 25483 2040 1 5 . 1 1 8 8 VAL CA C 8 61.461 61.461 63.041 -1.580 25483 2041 1 5 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.243 1.078 25483 2042 1 5 . 1 1 8 8 VAL H H 8 8.658 8.658 8.496 0.162 25483 2043 1 5 . 1 1 9 9 ILE N N 9 129.744 129.744 127.542 2.202 25483 2044 1 5 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.569 0.442 25483 2045 1 5 . 1 1 9 9 ILE C C 9 174.323 174.323 174.295 0.028 25483 2046 1 5 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.137 -0.440 25483 2047 1 5 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.395 -1.115 25483 2048 1 5 . 1 1 9 9 ILE H H 9 9.306 9.306 8.827 0.479 25483 2049 1 5 . 1 1 10 10 ILE N N 10 123.657 123.657 121.770 1.887 25483 2050 1 5 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.262 0.137 25483 2051 1 5 . 1 1 10 10 ILE C C 10 173.066 173.066 173.802 -0.736 25483 2052 1 5 . 1 1 10 10 ILE CA C 10 58.489 58.489 59.083 -0.594 25483 2053 1 5 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.803 -1.006 25483 2054 1 5 . 1 1 10 10 ILE H H 10 8.734 8.734 8.670 0.064 25483 2055 1 5 . 1 1 11 11 TYR N N 11 128.973 128.973 128.112 0.861 25483 2056 1 5 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.754 0.933 25483 2057 1 5 . 1 1 11 11 TYR C C 11 176.756 176.756 174.717 2.039 25483 2058 1 5 . 1 1 11 11 TYR CA C 11 57.408 57.408 57.919 -0.511 25483 2059 1 5 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.525 1.759 25483 2060 1 5 . 1 1 11 11 TYR H H 11 9.292 9.292 8.943 0.349 25483 2061 1 5 . 1 1 12 12 THR N N 12 112.725 112.725 116.544 -3.819 25483 2062 1 5 . 1 1 12 12 THR HA H 12 5.732 5.732 4.599 1.133 25483 2063 1 5 . 1 1 12 12 THR C C 12 172.866 172.866 172.914 -0.048 25483 2064 1 5 . 1 1 12 12 THR CA C 12 59.671 59.671 61.165 -1.494 25483 2065 1 5 . 1 1 12 12 THR CB C 12 72.735 72.735 70.965 1.770 25483 2066 1 5 . 1 1 12 12 THR H H 12 9.253 9.253 8.202 1.051 25483 2067 1 5 . 1 1 13 13 ARG N N 13 116.857 116.857 122.470 -5.613 25483 2068 1 5 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.562 0.223 25483 2069 1 5 . 1 1 13 13 ARG C C 13 173.407 173.407 175.655 -2.248 25483 2070 1 5 . 1 1 13 13 ARG CA C 13 53.254 53.254 54.914 -1.660 25483 2071 1 5 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.151 1.446 25483 2072 1 5 . 1 1 13 13 ARG H H 13 8.695 8.695 8.333 0.362 25483 2073 1 5 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.724 -0.563 25483 2074 1 5 . 1 1 14 14 PRO C C 14 177.642 177.642 176.422 1.220 25483 2075 1 5 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.322 -5.343 25483 2076 1 5 . 1 1 14 14 PRO CB C 14 30.197 30.197 32.514 -2.317 25483 2077 1 5 . 1 1 15 15 GLY N N 15 108.958 108.958 106.979 1.979 25483 2078 1 5 . 1 1 15 15 GLY C C 15 173.520 173.520 173.232 0.288 25483 2079 1 5 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.106 0.927 25483 2080 1 5 . 1 1 15 15 GLY H H 15 8.534 8.534 7.975 0.559 25483 2081 1 5 . 1 1 16 16 CYS N N 16 122.701 122.701 119.974 2.727 25483 2082 1 5 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.375 0.660 25483 2083 1 5 . 1 1 16 16 CYS C C 16 175.994 175.994 173.411 2.583 25483 2084 1 5 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.329 -4.111 25483 2085 1 5 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.206 4.508 25483 2086 1 5 . 1 1 16 16 CYS H H 16 7.476 7.476 8.364 -0.888 25483 2087 1 5 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.210 0.130 25483 2088 1 5 . 1 1 17 17 PRO C C 17 178.531 178.531 175.835 2.696 25483 2089 1 5 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.716 1.815 25483 2090 1 5 . 1 1 17 17 PRO CB C 17 32.140 32.140 31.865 0.275 25483 2091 1 5 . 1 1 18 18 TYR N N 18 121.799 121.799 118.694 3.105 25483 2092 1 5 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.667 -0.245 25483 2093 1 5 . 1 1 18 18 TYR C C 18 178.508 178.508 175.968 2.540 25483 2094 1 5 . 1 1 18 18 TYR CA C 18 61.076 61.076 56.703 4.373 25483 2095 1 5 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.589 1.844 25483 2096 1 5 . 1 1 18 18 TYR H H 18 8.148 8.148 8.548 -0.400 25483 2097 1 5 . 1 1 19 19 CYS N N 19 122.966 122.966 120.230 2.736 25483 2098 1 5 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.514 -0.512 25483 2099 1 5 . 1 1 19 19 CYS C C 19 177.642 177.642 175.215 2.427 25483 2100 1 5 . 1 1 19 19 CYS CA C 19 64.471 64.471 57.394 7.077 25483 2101 1 5 . 1 1 19 19 CYS CB C 19 31.017 31.017 26.736 4.281 25483 2102 1 5 . 1 1 19 19 CYS H H 19 7.833 7.833 8.125 -0.292 25483 2103 1 5 . 1 1 20 20 ALA N N 20 121.738 121.738 124.184 -2.446 25483 2104 1 5 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.287 -0.137 25483 2105 1 5 . 1 1 20 20 ALA C C 20 180.531 180.531 179.174 1.357 25483 2106 1 5 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.168 1.416 25483 2107 1 5 . 1 1 20 20 ALA CB C 20 18.029 18.029 19.147 -1.118 25483 2108 1 5 . 1 1 20 20 ALA H H 20 7.080 7.080 7.656 -0.576 25483 2109 1 5 . 1 1 21 21 ARG N N 21 119.812 119.812 119.299 0.513 25483 2110 1 5 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.264 -0.022 25483 2111 1 5 . 1 1 21 21 ARG CA C 21 57.925 57.925 58.835 -0.910 25483 2112 1 5 . 1 1 21 21 ARG CB C 21 29.868 29.868 30.154 -0.286 25483 2113 1 5 . 1 1 21 21 ARG H H 21 8.039 8.039 7.925 0.114 25483 2114 1 5 . 1 1 22 22 ALA N N 22 124.459 124.459 119.923 4.536 25483 2115 1 5 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.988 0.152 25483 2116 1 5 . 1 1 22 22 ALA C C 22 178.267 178.267 179.505 -1.238 25483 2117 1 5 . 1 1 22 22 ALA CA C 22 55.671 55.671 55.036 0.635 25483 2118 1 5 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.264 0.961 25483 2119 1 5 . 1 1 22 22 ALA H H 22 7.768 7.768 8.549 -0.781 25483 2120 1 5 . 1 1 23 23 LYS N N 23 116.014 116.014 116.987 -0.973 25483 2121 1 5 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.758 -0.457 25483 2122 1 5 . 1 1 23 23 LYS C C 23 177.995 177.995 178.249 -0.254 25483 2123 1 5 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.256 3.466 25483 2124 1 5 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.797 -0.147 25483 2125 1 5 . 1 1 23 23 LYS H H 23 7.984 7.984 7.564 0.420 25483 2126 1 5 . 1 1 24 24 ALA N N 24 120.042 120.042 123.577 -3.535 25483 2127 1 5 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.110 0.100 25483 2128 1 5 . 1 1 24 24 ALA C C 24 180.610 180.610 179.682 0.928 25483 2129 1 5 . 1 1 24 24 ALA CA C 24 54.865 54.865 55.114 -0.248 25483 2130 1 5 . 1 1 24 24 ALA CB C 24 17.936 17.936 17.995 -0.059 25483 2131 1 5 . 1 1 24 24 ALA H H 24 8.040 8.040 7.595 0.445 25483 2132 1 5 . 1 1 25 25 LEU N N 25 119.514 119.514 119.309 0.205 25483 2133 1 5 . 1 1 25 25 LEU HA H 25 4.152 4.152 4.024 0.128 25483 2134 1 5 . 1 1 25 25 LEU C C 25 177.834 177.834 178.762 -0.928 25483 2135 1 5 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.675 0.013 25483 2136 1 5 . 1 1 25 25 LEU CB C 25 40.735 40.735 42.004 -1.269 25483 2137 1 5 . 1 1 25 25 LEU H H 25 7.150 7.150 7.287 -0.137 25483 2138 1 5 . 1 1 26 26 LEU N N 26 117.253 117.253 118.989 -1.736 25483 2139 1 5 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.817 -0.064 25483 2140 1 5 . 1 1 26 26 LEU C C 26 178.553 178.553 178.873 -0.320 25483 2141 1 5 . 1 1 26 26 LEU CA C 26 58.475 58.475 58.056 0.419 25483 2142 1 5 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.585 -0.521 25483 2143 1 5 . 1 1 26 26 LEU H H 26 7.576 7.576 7.330 0.246 25483 2144 1 5 . 1 1 27 27 ALA N N 27 119.606 119.606 119.142 0.464 25483 2145 1 5 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.253 0.088 25483 2146 1 5 . 1 1 27 27 ALA C C 27 182.219 182.219 179.436 2.783 25483 2147 1 5 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.440 0.887 25483 2148 1 5 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.671 -0.563 25483 2149 1 5 . 1 1 27 27 ALA H H 27 8.629 8.629 8.246 0.383 25483 2150 1 5 . 1 1 28 28 ARG N N 28 121.081 121.081 118.356 2.725 25483 2151 1 5 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.141 0.024 25483 2152 1 5 . 1 1 28 28 ARG C C 28 178.659 178.659 177.820 0.839 25483 2153 1 5 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.306 0.875 25483 2154 1 5 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.349 -0.429 25483 2155 1 5 . 1 1 28 28 ARG H H 28 7.992 7.992 7.824 0.168 25483 2156 1 5 . 1 1 29 29 LYS N N 29 115.790 115.790 115.513 0.277 25483 2157 1 5 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.452 -0.218 25483 2158 1 5 . 1 1 29 29 LYS C C 29 176.666 176.666 176.827 -0.161 25483 2159 1 5 . 1 1 29 29 LYS CA C 29 54.945 54.945 56.308 -1.363 25483 2160 1 5 . 1 1 29 29 LYS CB C 29 31.441 31.441 33.509 -2.068 25483 2161 1 5 . 1 1 29 29 LYS H H 29 7.663 7.663 7.544 0.119 25483 2162 1 5 . 1 1 30 30 GLY N N 30 107.767 107.767 108.015 -0.248 25483 2163 1 5 . 1 1 30 30 GLY C C 30 174.014 174.014 174.630 -0.616 25483 2164 1 5 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.231 0.174 25483 2165 1 5 . 1 1 30 30 GLY H H 30 7.930 7.930 7.756 0.174 25483 2166 1 5 . 1 1 31 31 ALA N N 31 122.192 122.192 122.545 -0.353 25483 2167 1 5 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.252 0.251 25483 2168 1 5 . 1 1 31 31 ALA C C 31 176.691 176.691 176.800 -0.109 25483 2169 1 5 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.578 -0.947 25483 2170 1 5 . 1 1 31 31 ALA CB C 31 19.938 19.938 19.711 0.227 25483 2171 1 5 . 1 1 31 31 ALA H H 31 7.844 7.844 7.567 0.277 25483 2172 1 5 . 1 1 32 32 GLU N N 32 123.903 123.903 120.812 3.091 25483 2173 1 5 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.191 0.044 25483 2174 1 5 . 1 1 32 32 GLU C C 32 176.080 176.080 175.092 0.988 25483 2175 1 5 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.633 0.102 25483 2176 1 5 . 1 1 32 32 GLU CB C 32 29.777 29.777 29.914 -0.137 25483 2177 1 5 . 1 1 32 32 GLU H H 32 8.337 8.337 8.521 -0.184 25483 2178 1 5 . 1 1 33 33 PHE N N 33 116.634 116.634 121.418 -4.784 25483 2179 1 5 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.618 -0.386 25483 2180 1 5 . 1 1 33 33 PHE C C 33 173.397 173.397 174.466 -1.069 25483 2181 1 5 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.092 0.129 25483 2182 1 5 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.618 -0.110 25483 2183 1 5 . 1 1 33 33 PHE H H 33 7.640 7.640 7.471 0.169 25483 2184 1 5 . 1 1 34 34 ASN N N 34 120.133 120.133 119.969 0.164 25483 2185 1 5 . 1 1 34 34 ASN HA H 34 4.971 4.971 5.049 -0.078 25483 2186 1 5 . 1 1 34 34 ASN C C 34 173.199 173.199 174.344 -1.145 25483 2187 1 5 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.033 0.147 25483 2188 1 5 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.587 -1.747 25483 2189 1 5 . 1 1 34 34 ASN H H 34 8.921 8.921 8.380 0.541 25483 2190 1 5 . 1 1 35 35 GLU N N 35 126.204 126.204 123.793 2.411 25483 2191 1 5 . 1 1 35 35 GLU HA H 35 5.178 5.178 5.132 0.046 25483 2192 1 5 . 1 1 35 35 GLU C C 35 175.185 175.185 175.820 -0.635 25483 2193 1 5 . 1 1 35 35 GLU CA C 35 54.551 54.551 55.791 -1.240 25483 2194 1 5 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.541 -0.104 25483 2195 1 5 . 1 1 35 35 GLU H H 35 8.758 8.758 8.675 0.083 25483 2196 1 5 . 1 1 36 36 ILE N N 36 130.012 130.012 120.994 9.018 25483 2197 1 5 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.227 -0.066 25483 2198 1 5 . 1 1 36 36 ILE C C 36 174.987 174.987 174.403 0.584 25483 2199 1 5 . 1 1 36 36 ILE CA C 36 60.183 60.183 60.238 -0.055 25483 2200 1 5 . 1 1 36 36 ILE CB C 36 40.273 40.273 42.435 -2.162 25483 2201 1 5 . 1 1 36 36 ILE H H 36 9.080 9.080 7.862 1.218 25483 2202 1 5 . 1 1 37 37 ASP N N 37 125.921 125.921 127.726 -1.805 25483 2203 1 5 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.769 0.233 25483 2204 1 5 . 1 1 37 37 ASP C C 37 176.847 176.847 175.503 1.344 25483 2205 1 5 . 1 1 37 37 ASP CA C 37 52.878 52.878 53.564 -0.686 25483 2206 1 5 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.204 -0.914 25483 2207 1 5 . 1 1 37 37 ASP H H 37 8.515 8.515 8.567 -0.052 25483 2208 1 5 . 1 1 38 38 ALA N N 38 130.525 130.525 125.893 4.632 25483 2209 1 5 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.445 0.213 25483 2210 1 5 . 1 1 38 38 ALA C C 38 175.507 175.507 177.639 -2.132 25483 2211 1 5 . 1 1 38 38 ALA CA C 38 51.920 51.920 52.016 -0.096 25483 2212 1 5 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.128 0.484 25483 2213 1 5 . 1 1 38 38 ALA H H 38 8.845 8.845 7.817 1.028 25483 2214 1 5 . 1 1 39 39 SER N N 39 111.653 111.653 112.142 -0.489 25483 2215 1 5 . 1 1 39 39 SER HA H 39 4.425 4.425 4.204 0.221 25483 2216 1 5 . 1 1 39 39 SER C C 39 176.988 176.988 174.472 2.516 25483 2217 1 5 . 1 1 39 39 SER CA C 39 59.504 59.504 59.134 0.370 25483 2218 1 5 . 1 1 39 39 SER CB C 39 64.768 64.768 62.855 1.913 25483 2219 1 5 . 1 1 39 39 SER H H 39 8.727 8.727 8.957 -0.230 25483 2220 1 5 . 1 1 40 40 ALA N N 40 124.164 124.164 121.167 2.997 25483 2221 1 5 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.544 -0.315 25483 2222 1 5 . 1 1 40 40 ALA C C 40 178.039 178.039 177.058 0.981 25483 2223 1 5 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.852 1.995 25483 2224 1 5 . 1 1 40 40 ALA CB C 40 20.378 20.378 19.874 0.504 25483 2225 1 5 . 1 1 40 40 ALA H H 40 7.543 7.543 8.358 -0.815 25483 2226 1 5 . 1 1 41 41 THR N N 41 106.060 106.060 112.104 -6.044 25483 2227 1 5 . 1 1 41 41 THR HA H 41 5.006 5.006 4.506 0.500 25483 2228 1 5 . 1 1 41 41 THR C C 41 173.200 173.200 172.240 0.960 25483 2229 1 5 . 1 1 41 41 THR CA C 41 57.856 57.856 60.254 -2.398 25483 2230 1 5 . 1 1 41 41 THR CB C 41 70.541 70.541 69.457 1.084 25483 2231 1 5 . 1 1 41 41 THR H H 41 7.162 7.162 7.638 -0.476 25483 2232 1 5 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.587 -0.262 25483 2233 1 5 . 1 1 42 42 PRO C C 42 179.534 179.534 178.065 1.469 25483 2234 1 5 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.317 0.491 25483 2235 1 5 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.004 -0.263 25483 2236 1 5 . 1 1 43 43 GLU N N 43 118.723 118.723 119.918 -1.195 25483 2237 1 5 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.088 0.020 25483 2238 1 5 . 1 1 43 43 GLU C C 43 179.692 179.692 178.620 1.072 25483 2239 1 5 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.495 1.226 25483 2240 1 5 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.320 -0.769 25483 2241 1 5 . 1 1 43 43 GLU H H 43 9.124 9.124 8.357 0.767 25483 2242 1 5 . 1 1 44 44 LEU N N 44 121.970 121.970 118.967 3.003 25483 2243 1 5 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.499 -0.159 25483 2244 1 5 . 1 1 44 44 LEU C C 44 178.924 178.924 179.131 -0.207 25483 2245 1 5 . 1 1 44 44 LEU CA C 44 57.472 57.472 56.119 1.353 25483 2246 1 5 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.384 1.048 25483 2247 1 5 . 1 1 44 44 LEU H H 44 7.838 7.838 7.456 0.382 25483 2248 1 5 . 1 1 45 45 ARG N N 45 122.130 122.130 120.443 1.687 25483 2249 1 5 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.911 0.182 25483 2250 1 5 . 1 1 45 45 ARG C C 45 178.955 178.955 178.253 0.702 25483 2251 1 5 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.511 0.613 25483 2252 1 5 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.141 0.006 25483 2253 1 5 . 1 1 45 45 ARG H H 45 7.762 7.762 7.813 -0.051 25483 2254 1 5 . 1 1 46 46 ALA N N 46 121.165 121.165 121.151 0.014 25483 2255 1 5 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.054 0.082 25483 2256 1 5 . 1 1 46 46 ALA C C 46 179.912 179.912 179.858 0.054 25483 2257 1 5 . 1 1 46 46 ALA CA C 46 54.945 54.945 55.117 -0.172 25483 2258 1 5 . 1 1 46 46 ALA CB C 46 17.712 17.712 17.934 -0.222 25483 2259 1 5 . 1 1 46 46 ALA H H 46 8.160 8.160 7.809 0.351 25483 2260 1 5 . 1 1 47 47 GLU N N 47 120.906 120.906 118.561 2.345 25483 2261 1 5 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.049 0.004 25483 2262 1 5 . 1 1 47 47 GLU C C 47 178.039 178.039 179.362 -1.323 25483 2263 1 5 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.325 0.175 25483 2264 1 5 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.292 0.519 25483 2265 1 5 . 1 1 47 47 GLU H H 47 7.918 7.918 7.811 0.107 25483 2266 1 5 . 1 1 48 48 MET N N 48 118.645 118.645 119.835 -1.190 25483 2267 1 5 . 1 1 48 48 MET HA H 48 2.897 2.897 4.094 -1.197 25483 2268 1 5 . 1 1 48 48 MET C C 48 180.282 180.282 177.271 3.011 25483 2269 1 5 . 1 1 48 48 MET CA C 48 59.540 59.540 58.316 1.224 25483 2270 1 5 . 1 1 48 48 MET CB C 48 33.502 33.502 32.461 1.041 25483 2271 1 5 . 1 1 48 48 MET H H 48 8.047 8.047 7.661 0.386 25483 2272 1 5 . 1 1 49 49 GLN N N 49 122.104 122.104 118.311 3.793 25483 2273 1 5 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.086 0.253 25483 2274 1 5 . 1 1 49 49 GLN C C 49 178.780 178.780 177.697 1.083 25483 2275 1 5 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.377 0.367 25483 2276 1 5 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.161 0.077 25483 2277 1 5 . 1 1 49 49 GLN H H 49 8.237 8.237 7.868 0.369 25483 2278 1 5 . 1 1 50 50 GLU N N 50 121.947 121.947 119.468 2.479 25483 2279 1 5 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.124 -0.155 25483 2280 1 5 . 1 1 50 50 GLU C C 50 178.863 178.863 177.840 1.023 25483 2281 1 5 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.649 0.482 25483 2282 1 5 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.698 0.021 25483 2283 1 5 . 1 1 50 50 GLU H H 50 8.659 8.659 7.767 0.892 25483 2284 1 5 . 1 1 51 51 ARG N N 51 115.832 115.832 116.456 -0.624 25483 2285 1 5 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.412 -0.352 25483 2286 1 5 . 1 1 51 51 ARG C C 51 177.748 177.748 176.258 1.490 25483 2287 1 5 . 1 1 51 51 ARG CA C 51 58.480 58.480 56.380 2.100 25483 2288 1 5 . 1 1 51 51 ARG CB C 51 31.158 31.158 31.510 -0.352 25483 2289 1 5 . 1 1 51 51 ARG H H 51 8.231 8.231 7.841 0.390 25483 2290 1 5 . 1 1 52 52 SER N N 52 109.790 109.790 112.905 -3.115 25483 2291 1 5 . 1 1 52 52 SER HA H 52 3.759 3.759 4.146 -0.387 25483 2292 1 5 . 1 1 52 52 SER C C 52 174.149 174.149 174.457 -0.308 25483 2293 1 5 . 1 1 52 52 SER CA C 52 58.883 58.883 58.329 0.554 25483 2294 1 5 . 1 1 52 52 SER CB C 52 66.744 66.744 62.538 4.205 25483 2295 1 5 . 1 1 52 52 SER H H 52 8.032 8.032 8.156 -0.124 25483 2296 1 5 . 1 1 53 53 GLY N N 53 112.524 112.524 109.150 3.374 25483 2297 1 5 . 1 1 53 53 GLY C C 53 173.690 173.690 174.770 -1.080 25483 2298 1 5 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.929 1.164 25483 2299 1 5 . 1 1 53 53 GLY H H 53 8.239 8.239 8.208 0.031 25483 2300 1 5 . 1 1 54 54 ARG N N 54 119.453 119.453 119.723 -0.270 25483 2301 1 5 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.112 0.541 25483 2302 1 5 . 1 1 54 54 ARG C C 54 174.144 174.144 175.674 -1.530 25483 2303 1 5 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.433 -1.773 25483 2304 1 5 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.589 4.666 25483 2305 1 5 . 1 1 54 54 ARG H H 54 8.309 8.309 8.327 -0.018 25483 2306 1 5 . 1 1 55 55 ASN N N 55 112.521 112.521 117.451 -4.930 25483 2307 1 5 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.859 -0.166 25483 2308 1 5 . 1 1 55 55 ASN C C 55 175.197 175.197 174.990 0.207 25483 2309 1 5 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.912 -1.231 25483 2310 1 5 . 1 1 55 55 ASN CB C 55 39.468 39.468 39.444 0.024 25483 2311 1 5 . 1 1 55 55 ASN H H 55 8.154 8.154 8.425 -0.271 25483 2312 1 5 . 1 1 56 56 THR N N 56 107.919 107.919 113.708 -5.789 25483 2313 1 5 . 1 1 56 56 THR HA H 56 4.356 4.356 4.158 0.198 25483 2314 1 5 . 1 1 56 56 THR C C 56 172.477 172.477 174.141 -1.664 25483 2315 1 5 . 1 1 56 56 THR CA C 56 59.438 59.438 63.434 -3.996 25483 2316 1 5 . 1 1 56 56 THR CB C 56 70.636 70.636 69.072 1.564 25483 2317 1 5 . 1 1 56 56 THR H H 56 6.778 6.778 7.524 -0.746 25483 2318 1 5 . 1 1 57 57 PHE N N 57 117.789 117.789 117.586 0.203 25483 2319 1 5 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.072 -0.347 25483 2320 1 5 . 1 1 57 57 PHE C C 57 174.241 174.241 173.143 1.098 25483 2321 1 5 . 1 1 57 57 PHE CA C 57 55.088 55.088 52.528 2.560 25483 2322 1 5 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.182 5.324 25483 2323 1 5 . 1 1 57 57 PHE H H 57 8.469 8.469 6.688 1.781 25483 2324 1 5 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.567 1.046 25483 2325 1 5 . 1 1 58 58 PRO C C 58 177.062 177.062 176.359 0.703 25483 2326 1 5 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.662 0.520 25483 2327 1 5 . 1 1 58 58 PRO CB C 58 36.461 36.461 32.988 3.473 25483 2328 1 5 . 1 1 59 59 GLN N N 59 112.113 112.113 118.166 -6.053 25483 2329 1 5 . 1 1 59 59 GLN HA H 59 4.820 4.820 5.193 -0.373 25483 2330 1 5 . 1 1 59 59 GLN C C 59 175.655 175.655 176.336 -0.681 25483 2331 1 5 . 1 1 59 59 GLN CA C 59 55.168 55.168 53.965 1.203 25483 2332 1 5 . 1 1 59 59 GLN CB C 59 31.479 31.479 29.495 1.984 25483 2333 1 5 . 1 1 59 59 GLN H H 59 8.041 8.041 8.203 -0.162 25483 2334 1 5 . 1 1 60 60 ILE N N 60 123.134 123.134 123.699 -0.565 25483 2335 1 5 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.531 0.427 25483 2336 1 5 . 1 1 60 60 ILE C C 60 174.350 174.350 174.946 -0.596 25483 2337 1 5 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.974 1.200 25483 2338 1 5 . 1 1 60 60 ILE CB C 60 40.828 40.828 38.667 2.160 25483 2339 1 5 . 1 1 60 60 ILE H H 60 8.940 8.940 7.889 1.051 25483 2340 1 5 . 1 1 61 61 PHE N N 61 128.163 128.163 123.072 5.091 25483 2341 1 5 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.891 0.502 25483 2342 1 5 . 1 1 61 61 PHE C C 61 174.659 174.659 174.365 0.294 25483 2343 1 5 . 1 1 61 61 PHE CA C 61 56.646 56.646 57.315 -0.669 25483 2344 1 5 . 1 1 61 61 PHE CB C 61 41.735 41.735 44.282 -2.547 25483 2345 1 5 . 1 1 61 61 PHE H H 61 9.645 9.645 8.783 0.862 25483 2346 1 5 . 1 1 62 62 ILE N N 62 122.592 122.592 121.221 1.371 25483 2347 1 5 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.694 -0.064 25483 2348 1 5 . 1 1 62 62 ILE C C 62 175.360 175.360 176.179 -0.819 25483 2349 1 5 . 1 1 62 62 ILE CA C 62 61.008 61.008 60.655 0.353 25483 2350 1 5 . 1 1 62 62 ILE CB C 62 39.569 39.569 40.604 -1.035 25483 2351 1 5 . 1 1 62 62 ILE H H 62 9.066 9.066 8.024 1.042 25483 2352 1 5 . 1 1 63 63 GLY N N 63 116.263 116.263 118.681 -2.418 25483 2353 1 5 . 1 1 63 63 GLY C C 63 175.630 175.630 174.609 1.021 25483 2354 1 5 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.993 0.260 25483 2355 1 5 . 1 1 63 63 GLY H H 63 9.307 9.307 8.663 0.644 25483 2356 1 5 . 1 1 64 64 SER N N 64 122.053 122.053 118.125 3.928 25483 2357 1 5 . 1 1 64 64 SER HA H 64 4.566 4.566 4.754 -0.188 25483 2358 1 5 . 1 1 64 64 SER C C 64 173.891 173.891 173.220 0.671 25483 2359 1 5 . 1 1 64 64 SER CA C 64 59.071 59.071 57.815 1.256 25483 2360 1 5 . 1 1 64 64 SER CB C 64 63.895 63.895 64.658 -0.763 25483 2361 1 5 . 1 1 64 64 SER H H 64 9.236 9.236 8.402 0.834 25483 2362 1 5 . 1 1 65 65 VAL N N 65 124.553 124.553 122.628 1.925 25483 2363 1 5 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.427 -0.350 25483 2364 1 5 . 1 1 65 65 VAL C C 65 175.294 175.294 173.846 1.448 25483 2365 1 5 . 1 1 65 65 VAL CA C 65 62.735 62.735 59.597 3.138 25483 2366 1 5 . 1 1 65 65 VAL CB C 65 33.078 33.078 35.082 -2.004 25483 2367 1 5 . 1 1 65 65 VAL H H 65 8.494 8.494 7.969 0.525 25483 2368 1 5 . 1 1 66 66 HIS N N 66 102.561 102.561 125.799 -23.238 25483 2369 1 5 . 1 1 66 66 HIS HA H 66 4.362 4.362 3.931 0.431 25483 2370 1 5 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.199 -0.586 25483 2371 1 5 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.806 0.135 25483 2372 1 5 . 1 1 66 66 HIS H H 66 8.966 8.966 8.495 0.471 25483 2373 1 5 . 1 1 67 67 VAL N N 67 130.151 130.151 126.361 3.790 25483 2374 1 5 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.202 -0.772 25483 2375 1 5 . 1 1 67 67 VAL C C 67 174.677 174.677 174.929 -0.252 25483 2376 1 5 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.943 3.086 25483 2377 1 5 . 1 1 67 67 VAL CB C 67 32.426 32.426 34.335 -1.909 25483 2378 1 5 . 1 1 67 67 VAL H H 67 8.214 8.214 7.271 0.943 25483 2379 1 5 . 1 1 68 68 GLY N N 68 102.768 102.768 114.742 -11.974 25483 2380 1 5 . 1 1 68 68 GLY C C 68 173.023 173.023 173.718 -0.695 25483 2381 1 5 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.301 -3.521 25483 2382 1 5 . 1 1 68 68 GLY H H 68 6.436 6.436 8.528 -2.092 25483 2383 1 5 . 1 1 69 69 GLY N N 69 110.061 110.061 104.683 5.378 25483 2384 1 5 . 1 1 69 69 GLY C C 69 175.375 175.375 174.877 0.498 25483 2385 1 5 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.315 -0.391 25483 2386 1 5 . 1 1 69 69 GLY H H 69 9.004 9.004 7.459 1.545 25483 2387 1 5 . 1 1 70 70 SER N N 70 113.592 113.592 116.091 -2.499 25483 2388 1 5 . 1 1 70 70 SER HA H 70 3.894 3.894 3.930 -0.036 25483 2389 1 5 . 1 1 70 70 SER CA C 70 62.816 62.816 62.446 0.370 25483 2390 1 5 . 1 1 70 70 SER H H 70 8.088 8.088 8.618 -0.530 25483 2391 1 5 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.316 0.088 25483 2392 1 5 . 1 1 71 71 ASP C C 71 179.115 179.115 178.102 1.013 25483 2393 1 5 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.254 0.356 25483 2394 1 5 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.660 -1.335 25483 2395 1 5 . 1 1 72 72 ASP N N 72 119.325 119.325 119.477 -0.152 25483 2396 1 5 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.569 -0.223 25483 2397 1 5 . 1 1 72 72 ASP C C 72 177.816 177.816 178.465 -0.649 25483 2398 1 5 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.620 0.593 25483 2399 1 5 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.996 0.413 25483 2400 1 5 . 1 1 72 72 ASP H H 72 7.232 7.232 7.764 -0.532 25483 2401 1 5 . 1 1 73 73 LEU N N 73 121.336 121.336 122.195 -0.859 25483 2402 1 5 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.786 -0.013 25483 2403 1 5 . 1 1 73 73 LEU C C 73 177.957 177.957 178.266 -0.309 25483 2404 1 5 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.315 0.039 25483 2405 1 5 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.920 0.256 25483 2406 1 5 . 1 1 73 73 LEU H H 73 7.789 7.789 7.857 -0.068 25483 2407 1 5 . 1 1 74 74 TYR N N 74 116.570 116.570 117.151 -0.581 25483 2408 1 5 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.199 -0.450 25483 2409 1 5 . 1 1 74 74 TYR C C 74 178.275 178.275 177.862 0.413 25483 2410 1 5 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.086 1.612 25483 2411 1 5 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.881 -0.370 25483 2412 1 5 . 1 1 74 74 TYR H H 74 8.318 8.318 8.424 -0.106 25483 2413 1 5 . 1 1 75 75 ALA N N 75 122.593 122.593 122.298 0.295 25483 2414 1 5 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.945 0.310 25483 2415 1 5 . 1 1 75 75 ALA C C 75 180.162 180.162 179.298 0.864 25483 2416 1 5 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.171 0.432 25483 2417 1 5 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.141 -0.512 25483 2418 1 5 . 1 1 75 75 ALA H H 75 8.082 8.082 7.519 0.563 25483 2419 1 5 . 1 1 76 76 LEU N N 76 116.647 116.647 118.441 -1.794 25483 2420 1 5 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.827 0.228 25483 2421 1 5 . 1 1 76 76 LEU C C 76 179.538 179.538 178.810 0.728 25483 2422 1 5 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.866 -0.010 25483 2423 1 5 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.406 1.271 25483 2424 1 5 . 1 1 76 76 LEU H H 76 7.389 7.389 7.966 -0.577 25483 2425 1 5 . 1 1 77 77 GLU N N 77 121.342 121.342 118.617 2.725 25483 2426 1 5 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.939 0.658 25483 2427 1 5 . 1 1 77 77 GLU C C 77 179.674 179.674 178.795 0.879 25483 2428 1 5 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.470 -1.439 25483 2429 1 5 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.380 -1.263 25483 2430 1 5 . 1 1 77 77 GLU H H 77 7.461 7.461 7.798 -0.337 25483 2431 1 5 . 1 1 78 78 ASP N N 78 123.339 123.339 119.448 3.891 25483 2432 1 5 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.497 -0.046 25483 2433 1 5 . 1 1 78 78 ASP C C 78 178.412 178.412 178.249 0.163 25483 2434 1 5 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.838 0.632 25483 2435 1 5 . 1 1 78 78 ASP CB C 78 40.544 40.544 41.038 -0.494 25483 2436 1 5 . 1 1 78 78 ASP H H 78 8.650 8.650 7.713 0.937 25483 2437 1 5 . 1 1 79 79 GLU N N 79 115.360 115.360 117.533 -2.173 25483 2438 1 5 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.153 0.179 25483 2439 1 5 . 1 1 79 79 GLU C C 79 176.861 176.861 178.015 -1.154 25483 2440 1 5 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.146 -0.831 25483 2441 1 5 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.188 0.513 25483 2442 1 5 . 1 1 79 79 GLU H H 79 7.791 7.791 7.887 -0.096 25483 2443 1 5 . 1 1 80 80 GLY N N 80 108.851 108.851 107.587 1.264 25483 2444 1 5 . 1 1 80 80 GLY C C 80 176.085 176.085 174.174 1.911 25483 2445 1 5 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.015 1.226 25483 2446 1 5 . 1 1 80 80 GLY H H 80 8.078 8.078 8.272 -0.194 25483 2447 1 5 . 1 1 81 81 LYS N N 81 116.858 116.858 119.313 -2.455 25483 2448 1 5 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.672 -0.227 25483 2449 1 5 . 1 1 81 81 LYS C C 81 176.789 176.789 175.575 1.214 25483 2450 1 5 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.276 1.292 25483 2451 1 5 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.278 2.726 25483 2452 1 5 . 1 1 81 81 LYS H H 81 8.216 8.216 8.108 0.108 25483 2453 1 5 . 1 1 82 82 LEU N N 82 122.543 122.543 116.156 6.387 25483 2454 1 5 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.228 -0.187 25483 2455 1 5 . 1 1 82 82 LEU C C 82 177.466 177.466 177.606 -0.140 25483 2456 1 5 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.264 0.234 25483 2457 1 5 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.842 -1.353 25483 2458 1 5 . 1 1 82 82 LEU H H 82 7.516 7.516 7.876 -0.360 25483 2459 1 5 . 1 1 83 83 ASP N N 83 119.643 119.643 120.393 -0.750 25483 2460 1 5 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.322 -0.016 25483 2461 1 5 . 1 1 83 83 ASP C C 83 178.744 178.744 178.331 0.413 25483 2462 1 5 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.414 1.324 25483 2463 1 5 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.202 -0.248 25483 2464 1 5 . 1 1 83 83 ASP H H 83 8.662 8.662 8.600 0.062 25483 2465 1 5 . 1 1 84 84 SER N N 84 113.208 113.208 114.440 -1.232 25483 2466 1 5 . 1 1 84 84 SER HA H 84 4.266 4.266 4.271 -0.005 25483 2467 1 5 . 1 1 84 84 SER C C 84 177.581 177.581 176.669 0.912 25483 2468 1 5 . 1 1 84 84 SER CA C 84 61.483 61.483 61.590 -0.107 25483 2469 1 5 . 1 1 84 84 SER CB C 84 62.667 62.667 63.010 -0.343 25483 2470 1 5 . 1 1 84 84 SER H H 84 8.425 8.425 8.528 -0.103 25483 2471 1 5 . 1 1 85 85 LEU N N 85 126.393 126.393 123.307 3.086 25483 2472 1 5 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.233 0.122 25483 2473 1 5 . 1 1 85 85 LEU C C 85 178.692 178.692 178.187 0.505 25483 2474 1 5 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.017 0.391 25483 2475 1 5 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.184 -0.669 25483 2476 1 5 . 1 1 85 85 LEU H H 85 7.577 7.577 7.454 0.123 25483 2477 1 5 . 1 1 86 86 LEU N N 86 117.833 117.833 113.343 4.490 25483 2478 1 5 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.259 -0.376 25483 2479 1 5 . 1 1 86 86 LEU C C 86 177.470 177.470 178.086 -0.616 25483 2480 1 5 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.897 0.884 25483 2481 1 5 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.446 0.356 25483 2482 1 5 . 1 1 86 86 LEU H H 86 8.406 8.406 8.351 0.055 25483 2483 1 5 . 1 1 87 87 LYS N N 87 113.997 113.997 117.548 -3.551 25483 2484 1 5 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.278 0.111 25483 2485 1 5 . 1 1 87 87 LYS C C 87 178.282 178.282 177.194 1.088 25483 2486 1 5 . 1 1 87 87 LYS CA C 87 58.334 58.334 57.955 0.379 25483 2487 1 5 . 1 1 87 87 LYS CB C 87 33.913 33.913 34.098 -0.185 25483 2488 1 5 . 1 1 87 87 LYS H H 87 7.548 7.548 7.870 -0.322 25483 2489 1 5 . 1 1 88 88 THR N N 88 106.050 106.050 106.185 -0.135 25483 2490 1 5 . 1 1 88 88 THR HA H 88 4.545 4.545 4.460 0.085 25483 2491 1 5 . 1 1 88 88 THR C C 88 176.566 176.566 174.221 2.345 25483 2492 1 5 . 1 1 88 88 THR CA C 88 62.396 62.396 62.025 0.371 25483 2493 1 5 . 1 1 88 88 THR CB C 88 72.438 72.438 72.518 -0.080 25483 2494 1 5 . 1 1 88 88 THR H H 88 8.178 8.178 7.928 0.250 25483 2495 1 5 . 1 1 89 89 GLY N N 89 112.811 112.811 111.875 0.936 25483 2496 1 5 . 1 1 89 89 GLY C C 89 171.985 171.985 173.124 -1.139 25483 2497 1 5 . 1 1 89 89 GLY CA C 89 46.816 46.816 44.999 1.817 25483 2498 1 5 . 1 1 89 89 GLY H H 89 9.153 9.153 8.046 1.107 25483 2499 1 5 . 1 1 90 90 LYS N N 90 117.650 117.650 123.144 -5.494 25483 2500 1 5 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.667 -0.157 25483 2501 1 5 . 1 1 90 90 LYS C C 90 174.330 174.330 175.161 -0.831 25483 2502 1 5 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.470 0.139 25483 2503 1 5 . 1 1 90 90 LYS CB C 90 35.701 35.701 35.492 0.209 25483 2504 1 5 . 1 1 90 90 LYS H H 90 7.940 7.940 8.326 -0.386 25483 2505 1 5 . 1 1 91 91 LEU N N 91 123.149 123.149 122.144 1.005 25483 2506 1 5 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.505 -0.036 25483 2507 1 5 . 1 1 91 91 LEU C C 91 175.848 175.848 176.928 -1.080 25483 2508 1 5 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.800 -1.200 25483 2509 1 5 . 1 1 91 91 LEU CB C 91 43.011 43.011 41.990 1.021 25483 2510 1 5 . 1 1 91 91 LEU H H 91 8.501 8.501 8.480 0.021 25483 2511 1 6 . 1 1 3 3 GLY N N 3 110.312 110.312 109.394 0.918 25483 2512 1 6 . 1 1 3 3 GLY C C 3 174.169 174.169 174.221 -0.052 25483 2513 1 6 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.494 0.981 25483 2514 1 6 . 1 1 3 3 GLY H H 3 8.679 8.679 8.341 0.338 25483 2515 1 6 . 1 1 4 4 SER N N 4 115.617 115.617 119.101 -3.484 25483 2516 1 6 . 1 1 4 4 SER HA H 4 4.499 4.499 4.753 -0.254 25483 2517 1 6 . 1 1 4 4 SER C C 4 174.408 174.408 173.508 0.900 25483 2518 1 6 . 1 1 4 4 SER CA C 4 58.541 58.541 57.646 0.895 25483 2519 1 6 . 1 1 4 4 SER CB C 4 63.920 63.920 62.541 1.379 25483 2520 1 6 . 1 1 4 4 SER H H 4 8.237 8.237 8.565 -0.328 25483 2521 1 6 . 1 1 5 5 MET N N 5 121.390 121.390 118.741 2.649 25483 2522 1 6 . 1 1 5 5 MET HA H 5 4.702 4.702 4.800 -0.098 25483 2523 1 6 . 1 1 5 5 MET C C 5 176.122 176.122 174.965 1.157 25483 2524 1 6 . 1 1 5 5 MET CA C 5 55.600 55.600 55.166 0.434 25483 2525 1 6 . 1 1 5 5 MET CB C 5 34.357 34.357 34.142 0.215 25483 2526 1 6 . 1 1 5 5 MET H H 5 8.309 8.309 7.777 0.532 25483 2527 1 6 . 1 1 6 6 VAL N N 6 117.990 117.990 117.941 0.049 25483 2528 1 6 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.072 0.129 25483 2529 1 6 . 1 1 6 6 VAL C C 6 174.450 174.450 174.787 -0.337 25483 2530 1 6 . 1 1 6 6 VAL CA C 6 61.418 61.418 62.719 -1.302 25483 2531 1 6 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.665 -0.080 25483 2532 1 6 . 1 1 6 6 VAL H H 6 8.175 8.175 8.347 -0.172 25483 2533 1 6 . 1 1 7 7 ASP N N 7 121.785 121.785 118.484 3.301 25483 2534 1 6 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.856 -0.288 25483 2535 1 6 . 1 1 7 7 ASP C C 7 175.866 175.866 174.964 0.902 25483 2536 1 6 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.492 1.675 25483 2537 1 6 . 1 1 7 7 ASP CB C 7 41.599 41.599 44.558 -2.959 25483 2538 1 6 . 1 1 7 7 ASP H H 7 8.332 8.332 8.135 0.197 25483 2539 1 6 . 1 1 8 8 VAL N N 8 124.023 124.023 120.655 3.368 25483 2540 1 6 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.968 0.029 25483 2541 1 6 . 1 1 8 8 VAL C C 8 174.859 174.859 175.765 -0.906 25483 2542 1 6 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.087 -0.626 25483 2543 1 6 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.744 0.577 25483 2544 1 6 . 1 1 8 8 VAL H H 8 8.658 8.658 8.182 0.476 25483 2545 1 6 . 1 1 9 9 ILE N N 9 129.744 129.744 127.012 2.732 25483 2546 1 6 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.650 0.361 25483 2547 1 6 . 1 1 9 9 ILE C C 9 174.323 174.323 174.240 0.083 25483 2548 1 6 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.315 -0.618 25483 2549 1 6 . 1 1 9 9 ILE CB C 9 41.279 41.279 41.900 -0.621 25483 2550 1 6 . 1 1 9 9 ILE H H 9 9.306 9.306 9.011 0.295 25483 2551 1 6 . 1 1 10 10 ILE N N 10 123.657 123.657 124.314 -0.657 25483 2552 1 6 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.266 0.133 25483 2553 1 6 . 1 1 10 10 ILE C C 10 173.066 173.066 174.028 -0.962 25483 2554 1 6 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.459 0.030 25483 2555 1 6 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.443 -0.646 25483 2556 1 6 . 1 1 10 10 ILE H H 10 8.734 8.734 8.571 0.163 25483 2557 1 6 . 1 1 11 11 TYR N N 11 128.973 128.973 128.373 0.600 25483 2558 1 6 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.683 1.004 25483 2559 1 6 . 1 1 11 11 TYR C C 11 176.756 176.756 174.520 2.236 25483 2560 1 6 . 1 1 11 11 TYR CA C 11 57.408 57.408 57.896 -0.488 25483 2561 1 6 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.137 2.147 25483 2562 1 6 . 1 1 11 11 TYR H H 11 9.292 9.292 9.054 0.238 25483 2563 1 6 . 1 1 12 12 THR N N 12 112.725 112.725 117.334 -4.609 25483 2564 1 6 . 1 1 12 12 THR HA H 12 5.732 5.732 4.548 1.184 25483 2565 1 6 . 1 1 12 12 THR C C 12 172.866 172.866 173.275 -0.409 25483 2566 1 6 . 1 1 12 12 THR CA C 12 59.671 59.671 61.308 -1.637 25483 2567 1 6 . 1 1 12 12 THR CB C 12 72.735 72.735 71.102 1.633 25483 2568 1 6 . 1 1 12 12 THR H H 12 9.253 9.253 8.058 1.195 25483 2569 1 6 . 1 1 13 13 ARG N N 13 116.857 116.857 123.510 -6.653 25483 2570 1 6 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.249 0.536 25483 2571 1 6 . 1 1 13 13 ARG C C 13 173.407 173.407 175.269 -1.862 25483 2572 1 6 . 1 1 13 13 ARG CA C 13 53.254 53.254 56.595 -3.341 25483 2573 1 6 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.121 1.476 25483 2574 1 6 . 1 1 13 13 ARG H H 13 8.695 8.695 8.380 0.315 25483 2575 1 6 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.420 -0.259 25483 2576 1 6 . 1 1 14 14 PRO C C 14 177.642 177.642 176.935 0.707 25483 2577 1 6 . 1 1 14 14 PRO CA C 14 57.978 57.978 62.671 -4.693 25483 2578 1 6 . 1 1 14 14 PRO CB C 14 30.197 30.197 30.502 -0.304 25483 2579 1 6 . 1 1 15 15 GLY N N 15 108.958 108.958 112.183 -3.225 25483 2580 1 6 . 1 1 15 15 GLY C C 15 173.520 173.520 173.714 -0.194 25483 2581 1 6 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.559 0.475 25483 2582 1 6 . 1 1 15 15 GLY H H 15 8.534 8.534 8.622 -0.088 25483 2583 1 6 . 1 1 16 16 CYS N N 16 122.701 122.701 120.218 2.483 25483 2584 1 6 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.516 0.519 25483 2585 1 6 . 1 1 16 16 CYS C C 16 175.994 175.994 173.520 2.474 25483 2586 1 6 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.720 -4.502 25483 2587 1 6 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.590 4.124 25483 2588 1 6 . 1 1 16 16 CYS H H 16 7.476 7.476 8.593 -1.117 25483 2589 1 6 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.215 0.125 25483 2590 1 6 . 1 1 17 17 PRO C C 17 178.531 178.531 175.927 2.604 25483 2591 1 6 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.294 2.237 25483 2592 1 6 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.009 0.131 25483 2593 1 6 . 1 1 18 18 TYR N N 18 121.799 121.799 119.876 1.923 25483 2594 1 6 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.637 -0.215 25483 2595 1 6 . 1 1 18 18 TYR C C 18 178.508 178.508 175.638 2.870 25483 2596 1 6 . 1 1 18 18 TYR CA C 18 61.076 61.076 56.161 4.915 25483 2597 1 6 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.114 2.319 25483 2598 1 6 . 1 1 18 18 TYR H H 18 8.148 8.148 8.236 -0.088 25483 2599 1 6 . 1 1 19 19 CYS N N 19 122.966 122.966 116.993 5.973 25483 2600 1 6 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.769 -0.767 25483 2601 1 6 . 1 1 19 19 CYS C C 19 177.642 177.642 175.469 2.173 25483 2602 1 6 . 1 1 19 19 CYS CA C 19 64.471 64.471 56.066 8.405 25483 2603 1 6 . 1 1 19 19 CYS CB C 19 31.017 31.017 27.391 3.626 25483 2604 1 6 . 1 1 19 19 CYS H H 19 7.833 7.833 7.922 -0.089 25483 2605 1 6 . 1 1 20 20 ALA N N 20 121.738 121.738 124.979 -3.241 25483 2606 1 6 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.167 -0.017 25483 2607 1 6 . 1 1 20 20 ALA C C 20 180.531 180.531 178.853 1.678 25483 2608 1 6 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.012 1.572 25483 2609 1 6 . 1 1 20 20 ALA CB C 20 18.029 18.029 19.159 -1.130 25483 2610 1 6 . 1 1 20 20 ALA H H 20 7.080 7.080 8.505 -1.425 25483 2611 1 6 . 1 1 21 21 ARG N N 21 119.812 119.812 119.470 0.342 25483 2612 1 6 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.105 0.137 25483 2613 1 6 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.239 -1.313 25483 2614 1 6 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.459 0.409 25483 2615 1 6 . 1 1 21 21 ARG H H 21 8.039 8.039 8.459 -0.420 25483 2616 1 6 . 1 1 22 22 ALA N N 22 124.459 124.459 121.586 2.873 25483 2617 1 6 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.826 0.314 25483 2618 1 6 . 1 1 22 22 ALA C C 22 178.267 178.267 179.670 -1.403 25483 2619 1 6 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.932 0.739 25483 2620 1 6 . 1 1 22 22 ALA CB C 22 19.225 19.225 17.933 1.292 25483 2621 1 6 . 1 1 22 22 ALA H H 22 7.768 7.768 8.421 -0.653 25483 2622 1 6 . 1 1 23 23 LYS N N 23 116.014 116.014 118.112 -2.098 25483 2623 1 6 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.387 -0.086 25483 2624 1 6 . 1 1 23 23 LYS C C 23 177.995 177.995 178.684 -0.689 25483 2625 1 6 . 1 1 23 23 LYS CA C 23 60.722 60.722 58.486 2.236 25483 2626 1 6 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.873 -0.223 25483 2627 1 6 . 1 1 23 23 LYS H H 23 7.984 7.984 7.405 0.579 25483 2628 1 6 . 1 1 24 24 ALA N N 24 120.042 120.042 122.262 -2.220 25483 2629 1 6 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.081 0.129 25483 2630 1 6 . 1 1 24 24 ALA C C 24 180.610 180.610 179.827 0.783 25483 2631 1 6 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.944 -0.079 25483 2632 1 6 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.139 -0.202 25483 2633 1 6 . 1 1 24 24 ALA H H 24 8.040 8.040 7.943 0.097 25483 2634 1 6 . 1 1 25 25 LEU N N 25 119.514 119.514 119.266 0.248 25483 2635 1 6 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.994 0.158 25483 2636 1 6 . 1 1 25 25 LEU C C 25 177.834 177.834 178.749 -0.915 25483 2637 1 6 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.771 -0.083 25483 2638 1 6 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.981 -1.246 25483 2639 1 6 . 1 1 25 25 LEU H H 25 7.150 7.150 7.663 -0.513 25483 2640 1 6 . 1 1 26 26 LEU N N 26 117.253 117.253 117.410 -0.157 25483 2641 1 6 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.925 -0.172 25483 2642 1 6 . 1 1 26 26 LEU C C 26 178.553 178.553 178.418 0.135 25483 2643 1 6 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.756 0.719 25483 2644 1 6 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.452 -0.388 25483 2645 1 6 . 1 1 26 26 LEU H H 26 7.576 7.576 7.955 -0.379 25483 2646 1 6 . 1 1 27 27 ALA N N 27 119.606 119.606 119.245 0.361 25483 2647 1 6 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.319 0.022 25483 2648 1 6 . 1 1 27 27 ALA C C 27 182.219 182.219 179.397 2.822 25483 2649 1 6 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.091 1.235 25483 2650 1 6 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.495 -0.387 25483 2651 1 6 . 1 1 27 27 ALA H H 27 8.629 8.629 7.686 0.943 25483 2652 1 6 . 1 1 28 28 ARG N N 28 121.081 121.081 119.677 1.404 25483 2653 1 6 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.225 -0.060 25483 2654 1 6 . 1 1 28 28 ARG C C 28 178.659 178.659 177.566 1.093 25483 2655 1 6 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.293 0.888 25483 2656 1 6 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.741 -0.821 25483 2657 1 6 . 1 1 28 28 ARG H H 28 7.992 7.992 7.958 0.034 25483 2658 1 6 . 1 1 29 29 LYS N N 29 115.790 115.790 116.028 -0.238 25483 2659 1 6 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.470 -0.236 25483 2660 1 6 . 1 1 29 29 LYS C C 29 176.666 176.666 176.168 0.498 25483 2661 1 6 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.617 -0.672 25483 2662 1 6 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.358 -0.917 25483 2663 1 6 . 1 1 29 29 LYS H H 29 7.663 7.663 7.565 0.098 25483 2664 1 6 . 1 1 30 30 GLY N N 30 107.767 107.767 109.257 -1.490 25483 2665 1 6 . 1 1 30 30 GLY C C 30 174.014 174.014 174.702 -0.688 25483 2666 1 6 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.796 -0.391 25483 2667 1 6 . 1 1 30 30 GLY H H 30 7.930 7.930 7.445 0.485 25483 2668 1 6 . 1 1 31 31 ALA N N 31 122.192 122.192 121.736 0.456 25483 2669 1 6 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.395 0.108 25483 2670 1 6 . 1 1 31 31 ALA C C 31 176.691 176.691 176.463 0.228 25483 2671 1 6 . 1 1 31 31 ALA CA C 31 51.631 51.631 51.549 0.082 25483 2672 1 6 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.530 -0.592 25483 2673 1 6 . 1 1 31 31 ALA H H 31 7.844 7.844 8.123 -0.279 25483 2674 1 6 . 1 1 32 32 GLU N N 32 123.903 123.903 121.296 2.607 25483 2675 1 6 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.370 -0.135 25483 2676 1 6 . 1 1 32 32 GLU C C 32 176.080 176.080 174.992 1.088 25483 2677 1 6 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.248 0.487 25483 2678 1 6 . 1 1 32 32 GLU CB C 32 29.777 29.777 30.628 -0.851 25483 2679 1 6 . 1 1 32 32 GLU H H 32 8.337 8.337 8.513 -0.176 25483 2680 1 6 . 1 1 33 33 PHE N N 33 116.634 116.634 121.622 -4.988 25483 2681 1 6 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.481 -0.249 25483 2682 1 6 . 1 1 33 33 PHE C C 33 173.397 173.397 174.515 -1.118 25483 2683 1 6 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.075 0.146 25483 2684 1 6 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.554 -0.046 25483 2685 1 6 . 1 1 33 33 PHE H H 33 7.640 7.640 7.555 0.085 25483 2686 1 6 . 1 1 34 34 ASN N N 34 120.133 120.133 120.157 -0.024 25483 2687 1 6 . 1 1 34 34 ASN HA H 34 4.971 4.971 5.007 -0.036 25483 2688 1 6 . 1 1 34 34 ASN C C 34 173.199 173.199 174.466 -1.267 25483 2689 1 6 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.160 0.021 25483 2690 1 6 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.165 -1.325 25483 2691 1 6 . 1 1 34 34 ASN H H 34 8.921 8.921 8.388 0.533 25483 2692 1 6 . 1 1 35 35 GLU N N 35 126.204 126.204 124.855 1.349 25483 2693 1 6 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.910 0.269 25483 2694 1 6 . 1 1 35 35 GLU C C 35 175.185 175.185 175.752 -0.567 25483 2695 1 6 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.010 -1.459 25483 2696 1 6 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.283 0.154 25483 2697 1 6 . 1 1 35 35 GLU H H 35 8.758 8.758 8.685 0.073 25483 2698 1 6 . 1 1 36 36 ILE N N 36 130.012 130.012 120.849 9.163 25483 2699 1 6 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.225 -0.064 25483 2700 1 6 . 1 1 36 36 ILE C C 36 174.987 174.987 174.518 0.469 25483 2701 1 6 . 1 1 36 36 ILE CA C 36 60.183 60.183 60.042 0.141 25483 2702 1 6 . 1 1 36 36 ILE CB C 36 40.273 40.273 41.775 -1.502 25483 2703 1 6 . 1 1 36 36 ILE H H 36 9.080 9.080 7.834 1.246 25483 2704 1 6 . 1 1 37 37 ASP N N 37 125.921 125.921 125.243 0.678 25483 2705 1 6 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.730 0.272 25483 2706 1 6 . 1 1 37 37 ASP C C 37 176.847 176.847 175.694 1.153 25483 2707 1 6 . 1 1 37 37 ASP CA C 37 52.878 52.878 52.257 0.621 25483 2708 1 6 . 1 1 37 37 ASP CB C 37 39.290 39.290 39.473 -0.183 25483 2709 1 6 . 1 1 37 37 ASP H H 37 8.515 8.515 8.485 0.030 25483 2710 1 6 . 1 1 38 38 ALA N N 38 130.525 130.525 125.649 4.876 25483 2711 1 6 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.244 0.414 25483 2712 1 6 . 1 1 38 38 ALA C C 38 175.507 175.507 178.179 -2.672 25483 2713 1 6 . 1 1 38 38 ALA CA C 38 51.920 51.920 52.265 -0.345 25483 2714 1 6 . 1 1 38 38 ALA CB C 38 20.612 20.612 19.599 1.013 25483 2715 1 6 . 1 1 38 38 ALA H H 38 8.845 8.845 7.860 0.985 25483 2716 1 6 . 1 1 39 39 SER N N 39 111.653 111.653 111.022 0.631 25483 2717 1 6 . 1 1 39 39 SER HA H 39 4.425 4.425 4.050 0.375 25483 2718 1 6 . 1 1 39 39 SER C C 39 176.988 176.988 174.708 2.280 25483 2719 1 6 . 1 1 39 39 SER CA C 39 59.504 59.504 59.133 0.371 25483 2720 1 6 . 1 1 39 39 SER CB C 39 64.768 64.768 62.671 2.097 25483 2721 1 6 . 1 1 39 39 SER H H 39 8.727 8.727 8.959 -0.232 25483 2722 1 6 . 1 1 40 40 ALA N N 40 124.164 124.164 120.727 3.437 25483 2723 1 6 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.612 -0.383 25483 2724 1 6 . 1 1 40 40 ALA C C 40 178.039 178.039 177.060 0.979 25483 2725 1 6 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.874 1.973 25483 2726 1 6 . 1 1 40 40 ALA CB C 40 20.378 20.378 19.851 0.527 25483 2727 1 6 . 1 1 40 40 ALA H H 40 7.543 7.543 8.405 -0.862 25483 2728 1 6 . 1 1 41 41 THR N N 41 106.060 106.060 110.570 -4.510 25483 2729 1 6 . 1 1 41 41 THR HA H 41 5.006 5.006 4.554 0.452 25483 2730 1 6 . 1 1 41 41 THR C C 41 173.200 173.200 172.234 0.966 25483 2731 1 6 . 1 1 41 41 THR CA C 41 57.856 57.856 59.758 -1.902 25483 2732 1 6 . 1 1 41 41 THR CB C 41 70.541 70.541 69.500 1.041 25483 2733 1 6 . 1 1 41 41 THR H H 41 7.162 7.162 7.611 -0.449 25483 2734 1 6 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.458 -0.133 25483 2735 1 6 . 1 1 42 42 PRO C C 42 179.534 179.534 177.265 2.269 25483 2736 1 6 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.548 0.259 25483 2737 1 6 . 1 1 42 42 PRO CB C 42 31.741 31.741 31.984 -0.243 25483 2738 1 6 . 1 1 43 43 GLU N N 43 118.723 118.723 119.105 -0.382 25483 2739 1 6 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.198 -0.090 25483 2740 1 6 . 1 1 43 43 GLU C C 43 179.692 179.692 178.465 1.227 25483 2741 1 6 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.076 1.645 25483 2742 1 6 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.614 -1.063 25483 2743 1 6 . 1 1 43 43 GLU H H 43 9.124 9.124 8.368 0.756 25483 2744 1 6 . 1 1 44 44 LEU N N 44 121.970 121.970 119.704 2.266 25483 2745 1 6 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.211 0.129 25483 2746 1 6 . 1 1 44 44 LEU C C 44 178.924 178.924 179.450 -0.526 25483 2747 1 6 . 1 1 44 44 LEU CA C 44 57.472 57.472 57.930 -0.458 25483 2748 1 6 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.312 1.120 25483 2749 1 6 . 1 1 44 44 LEU H H 44 7.838 7.838 7.835 0.003 25483 2750 1 6 . 1 1 45 45 ARG N N 45 122.130 122.130 118.441 3.689 25483 2751 1 6 . 1 1 45 45 ARG HA H 45 4.093 4.093 4.010 0.083 25483 2752 1 6 . 1 1 45 45 ARG C C 45 178.955 178.955 178.347 0.608 25483 2753 1 6 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.231 0.893 25483 2754 1 6 . 1 1 45 45 ARG CB C 45 30.147 30.147 29.271 0.876 25483 2755 1 6 . 1 1 45 45 ARG H H 45 7.762 7.762 7.744 0.018 25483 2756 1 6 . 1 1 46 46 ALA N N 46 121.165 121.165 122.300 -1.135 25483 2757 1 6 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.150 -0.014 25483 2758 1 6 . 1 1 46 46 ALA C C 46 179.912 179.912 179.651 0.261 25483 2759 1 6 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.656 0.289 25483 2760 1 6 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.050 -0.338 25483 2761 1 6 . 1 1 46 46 ALA H H 46 8.160 8.160 7.693 0.467 25483 2762 1 6 . 1 1 47 47 GLU N N 47 120.906 120.906 118.044 2.862 25483 2763 1 6 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.062 -0.009 25483 2764 1 6 . 1 1 47 47 GLU C C 47 178.039 178.039 178.909 -0.870 25483 2765 1 6 . 1 1 47 47 GLU CA C 47 59.500 59.500 58.883 0.617 25483 2766 1 6 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.663 0.148 25483 2767 1 6 . 1 1 47 47 GLU H H 47 7.918 7.918 7.611 0.307 25483 2768 1 6 . 1 1 48 48 MET N N 48 118.645 118.645 117.180 1.465 25483 2769 1 6 . 1 1 48 48 MET HA H 48 2.897 2.897 4.258 -1.361 25483 2770 1 6 . 1 1 48 48 MET C C 48 180.282 180.282 177.602 2.680 25483 2771 1 6 . 1 1 48 48 MET CA C 48 59.540 59.540 58.042 1.498 25483 2772 1 6 . 1 1 48 48 MET CB C 48 33.502 33.502 33.252 0.250 25483 2773 1 6 . 1 1 48 48 MET H H 48 8.047 8.047 7.820 0.227 25483 2774 1 6 . 1 1 49 49 GLN N N 49 122.104 122.104 119.614 2.490 25483 2775 1 6 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.099 0.240 25483 2776 1 6 . 1 1 49 49 GLN C C 49 178.780 178.780 177.219 1.561 25483 2777 1 6 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.676 0.068 25483 2778 1 6 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.010 0.228 25483 2779 1 6 . 1 1 49 49 GLN H H 49 8.237 8.237 7.769 0.468 25483 2780 1 6 . 1 1 50 50 GLU N N 50 121.947 121.947 117.943 4.004 25483 2781 1 6 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.091 -0.122 25483 2782 1 6 . 1 1 50 50 GLU C C 50 178.863 178.863 177.681 1.182 25483 2783 1 6 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.481 0.650 25483 2784 1 6 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.748 -0.029 25483 2785 1 6 . 1 1 50 50 GLU H H 50 8.659 8.659 8.272 0.387 25483 2786 1 6 . 1 1 51 51 ARG N N 51 115.832 115.832 116.694 -0.862 25483 2787 1 6 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.475 -0.415 25483 2788 1 6 . 1 1 51 51 ARG C C 51 177.748 177.748 176.647 1.101 25483 2789 1 6 . 1 1 51 51 ARG CA C 51 58.480 58.480 55.585 2.895 25483 2790 1 6 . 1 1 51 51 ARG CB C 51 31.158 31.158 31.466 -0.308 25483 2791 1 6 . 1 1 51 51 ARG H H 51 8.231 8.231 7.565 0.666 25483 2792 1 6 . 1 1 52 52 SER N N 52 109.790 109.790 115.008 -5.218 25483 2793 1 6 . 1 1 52 52 SER HA H 52 3.759 3.759 4.178 -0.419 25483 2794 1 6 . 1 1 52 52 SER C C 52 174.149 174.149 174.468 -0.319 25483 2795 1 6 . 1 1 52 52 SER CA C 52 58.883 58.883 58.211 0.672 25483 2796 1 6 . 1 1 52 52 SER CB C 52 66.744 66.744 62.748 3.996 25483 2797 1 6 . 1 1 52 52 SER H H 52 8.032 8.032 8.376 -0.344 25483 2798 1 6 . 1 1 53 53 GLY N N 53 112.524 112.524 108.921 3.603 25483 2799 1 6 . 1 1 53 53 GLY C C 53 173.690 173.690 174.733 -1.043 25483 2800 1 6 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.783 1.310 25483 2801 1 6 . 1 1 53 53 GLY H H 53 8.239 8.239 8.393 -0.154 25483 2802 1 6 . 1 1 54 54 ARG N N 54 119.453 119.453 118.772 0.681 25483 2803 1 6 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.111 0.542 25483 2804 1 6 . 1 1 54 54 ARG C C 54 174.144 174.144 175.779 -1.635 25483 2805 1 6 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.508 -1.847 25483 2806 1 6 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.622 4.633 25483 2807 1 6 . 1 1 54 54 ARG H H 54 8.309 8.309 8.323 -0.014 25483 2808 1 6 . 1 1 55 55 ASN N N 55 112.521 112.521 115.525 -3.004 25483 2809 1 6 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.901 -0.208 25483 2810 1 6 . 1 1 55 55 ASN C C 55 175.197 175.197 174.666 0.531 25483 2811 1 6 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.850 -1.169 25483 2812 1 6 . 1 1 55 55 ASN CB C 55 39.468 39.468 39.340 0.128 25483 2813 1 6 . 1 1 55 55 ASN H H 55 8.154 8.154 8.437 -0.283 25483 2814 1 6 . 1 1 56 56 THR N N 56 107.919 107.919 113.085 -5.166 25483 2815 1 6 . 1 1 56 56 THR HA H 56 4.356 4.356 4.168 0.188 25483 2816 1 6 . 1 1 56 56 THR C C 56 172.477 172.477 174.025 -1.548 25483 2817 1 6 . 1 1 56 56 THR CA C 56 59.438 59.438 62.955 -3.517 25483 2818 1 6 . 1 1 56 56 THR CB C 56 70.636 70.636 69.315 1.321 25483 2819 1 6 . 1 1 56 56 THR H H 56 6.778 6.778 7.403 -0.625 25483 2820 1 6 . 1 1 57 57 PHE N N 57 117.789 117.789 115.748 2.041 25483 2821 1 6 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.181 -0.456 25483 2822 1 6 . 1 1 57 57 PHE C C 57 174.241 174.241 173.870 0.371 25483 2823 1 6 . 1 1 57 57 PHE CA C 57 55.088 55.088 52.571 2.517 25483 2824 1 6 . 1 1 57 57 PHE CB C 57 43.506 43.506 39.217 4.289 25483 2825 1 6 . 1 1 57 57 PHE H H 57 8.469 8.469 6.778 1.691 25483 2826 1 6 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.554 1.059 25483 2827 1 6 . 1 1 58 58 PRO C C 58 177.062 177.062 176.102 0.960 25483 2828 1 6 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.693 0.489 25483 2829 1 6 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.186 3.275 25483 2830 1 6 . 1 1 59 59 GLN N N 59 112.113 112.113 117.197 -5.084 25483 2831 1 6 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.724 0.096 25483 2832 1 6 . 1 1 59 59 GLN C C 59 175.655 175.655 175.690 -0.035 25483 2833 1 6 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.894 0.274 25483 2834 1 6 . 1 1 59 59 GLN CB C 59 31.479 31.479 30.381 1.098 25483 2835 1 6 . 1 1 59 59 GLN H H 59 8.041 8.041 8.229 -0.188 25483 2836 1 6 . 1 1 60 60 ILE N N 60 123.134 123.134 123.154 -0.020 25483 2837 1 6 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.742 0.216 25483 2838 1 6 . 1 1 60 60 ILE C C 60 174.350 174.350 174.670 -0.320 25483 2839 1 6 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.585 1.589 25483 2840 1 6 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.431 1.397 25483 2841 1 6 . 1 1 60 60 ILE H H 60 8.940 8.940 7.995 0.945 25483 2842 1 6 . 1 1 61 61 PHE N N 61 128.163 128.163 123.730 4.433 25483 2843 1 6 . 1 1 61 61 PHE HA H 61 5.393 5.393 5.249 0.144 25483 2844 1 6 . 1 1 61 61 PHE C C 61 174.659 174.659 174.589 0.070 25483 2845 1 6 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.572 0.074 25483 2846 1 6 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.209 -1.474 25483 2847 1 6 . 1 1 61 61 PHE H H 61 9.645 9.645 8.888 0.757 25483 2848 1 6 . 1 1 62 62 ILE N N 62 122.592 122.592 119.607 2.985 25483 2849 1 6 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.801 -0.171 25483 2850 1 6 . 1 1 62 62 ILE C C 62 175.360 175.360 176.242 -0.882 25483 2851 1 6 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.936 1.072 25483 2852 1 6 . 1 1 62 62 ILE CB C 62 39.569 39.569 38.919 0.650 25483 2853 1 6 . 1 1 62 62 ILE H H 62 9.066 9.066 7.984 1.082 25483 2854 1 6 . 1 1 63 63 GLY N N 63 116.263 116.263 117.535 -1.272 25483 2855 1 6 . 1 1 63 63 GLY C C 63 175.630 175.630 174.879 0.751 25483 2856 1 6 . 1 1 63 63 GLY CA C 63 47.253 47.253 45.564 1.689 25483 2857 1 6 . 1 1 63 63 GLY H H 63 9.307 9.307 8.492 0.815 25483 2858 1 6 . 1 1 64 64 SER N N 64 122.053 122.053 112.196 9.857 25483 2859 1 6 . 1 1 64 64 SER HA H 64 4.566 4.566 4.088 0.478 25483 2860 1 6 . 1 1 64 64 SER C C 64 173.891 173.891 173.428 0.463 25483 2861 1 6 . 1 1 64 64 SER CA C 64 59.071 59.071 59.809 -0.737 25483 2862 1 6 . 1 1 64 64 SER CB C 64 63.895 63.895 63.070 0.825 25483 2863 1 6 . 1 1 64 64 SER H H 64 9.236 9.236 8.729 0.507 25483 2864 1 6 . 1 1 65 65 VAL N N 65 124.553 124.553 118.521 6.032 25483 2865 1 6 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.112 -0.035 25483 2866 1 6 . 1 1 65 65 VAL C C 65 175.294 175.294 174.658 0.636 25483 2867 1 6 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.271 1.464 25483 2868 1 6 . 1 1 65 65 VAL CB C 65 33.078 33.078 33.907 -0.830 25483 2869 1 6 . 1 1 65 65 VAL H H 65 8.494 8.494 7.402 1.092 25483 2870 1 6 . 1 1 66 66 HIS N N 66 102.561 102.561 124.888 -22.327 25483 2871 1 6 . 1 1 66 66 HIS HA H 66 4.362 4.362 3.783 0.579 25483 2872 1 6 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.703 -1.090 25483 2873 1 6 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.203 0.738 25483 2874 1 6 . 1 1 66 66 HIS H H 66 8.966 8.966 8.470 0.496 25483 2875 1 6 . 1 1 67 67 VAL N N 67 130.151 130.151 126.545 3.606 25483 2876 1 6 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.249 -0.819 25483 2877 1 6 . 1 1 67 67 VAL C C 67 174.677 174.677 175.623 -0.946 25483 2878 1 6 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.913 3.116 25483 2879 1 6 . 1 1 67 67 VAL CB C 67 32.426 32.426 34.070 -1.644 25483 2880 1 6 . 1 1 67 67 VAL H H 67 8.214 8.214 7.468 0.746 25483 2881 1 6 . 1 1 68 68 GLY N N 68 102.768 102.768 113.773 -11.005 25483 2882 1 6 . 1 1 68 68 GLY C C 68 173.023 173.023 174.322 -1.299 25483 2883 1 6 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.418 -3.638 25483 2884 1 6 . 1 1 68 68 GLY H H 68 6.436 6.436 8.637 -2.201 25483 2885 1 6 . 1 1 69 69 GLY N N 69 110.061 110.061 106.172 3.889 25483 2886 1 6 . 1 1 69 69 GLY C C 69 175.375 175.375 174.185 1.190 25483 2887 1 6 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.661 -0.738 25483 2888 1 6 . 1 1 69 69 GLY H H 69 9.004 9.004 7.424 1.580 25483 2889 1 6 . 1 1 70 70 SER N N 70 113.592 113.592 116.507 -2.915 25483 2890 1 6 . 1 1 70 70 SER HA H 70 3.894 3.894 3.802 0.092 25483 2891 1 6 . 1 1 70 70 SER CA C 70 62.816 62.816 62.283 0.533 25483 2892 1 6 . 1 1 70 70 SER H H 70 8.088 8.088 8.690 -0.602 25483 2893 1 6 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.288 0.116 25483 2894 1 6 . 1 1 71 71 ASP C C 71 179.115 179.115 178.033 1.082 25483 2895 1 6 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.085 0.525 25483 2896 1 6 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.484 -1.159 25483 2897 1 6 . 1 1 72 72 ASP N N 72 119.325 119.325 119.595 -0.270 25483 2898 1 6 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.535 -0.189 25483 2899 1 6 . 1 1 72 72 ASP C C 72 177.816 177.816 178.584 -0.768 25483 2900 1 6 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.541 0.672 25483 2901 1 6 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.951 0.458 25483 2902 1 6 . 1 1 72 72 ASP H H 72 7.232 7.232 7.568 -0.336 25483 2903 1 6 . 1 1 73 73 LEU N N 73 121.336 121.336 122.394 -1.058 25483 2904 1 6 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.777 -0.004 25483 2905 1 6 . 1 1 73 73 LEU C C 73 177.957 177.957 178.301 -0.344 25483 2906 1 6 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.432 -0.078 25483 2907 1 6 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.914 0.262 25483 2908 1 6 . 1 1 73 73 LEU H H 73 7.789 7.789 8.448 -0.659 25483 2909 1 6 . 1 1 74 74 TYR N N 74 116.570 116.570 117.335 -0.765 25483 2910 1 6 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.208 -0.459 25483 2911 1 6 . 1 1 74 74 TYR C C 74 178.275 178.275 177.981 0.294 25483 2912 1 6 . 1 1 74 74 TYR CA C 74 62.698 62.698 60.917 1.781 25483 2913 1 6 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.657 -0.146 25483 2914 1 6 . 1 1 74 74 TYR H H 74 8.318 8.318 8.443 -0.125 25483 2915 1 6 . 1 1 75 75 ALA N N 75 122.593 122.593 122.775 -0.182 25483 2916 1 6 . 1 1 75 75 ALA HA H 75 4.255 4.255 4.004 0.251 25483 2917 1 6 . 1 1 75 75 ALA C C 75 180.162 180.162 179.528 0.634 25483 2918 1 6 . 1 1 75 75 ALA CA C 75 55.603 55.603 54.994 0.609 25483 2919 1 6 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.219 -0.590 25483 2920 1 6 . 1 1 75 75 ALA H H 75 8.082 8.082 7.527 0.555 25483 2921 1 6 . 1 1 76 76 LEU N N 76 116.647 116.647 118.705 -2.058 25483 2922 1 6 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.857 0.198 25483 2923 1 6 . 1 1 76 76 LEU C C 76 179.538 179.538 179.282 0.256 25483 2924 1 6 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.959 -0.103 25483 2925 1 6 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.355 1.322 25483 2926 1 6 . 1 1 76 76 LEU H H 76 7.389 7.389 8.172 -0.783 25483 2927 1 6 . 1 1 77 77 GLU N N 77 121.342 121.342 119.401 1.941 25483 2928 1 6 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.970 0.627 25483 2929 1 6 . 1 1 77 77 GLU C C 77 179.674 179.674 179.156 0.518 25483 2930 1 6 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.547 -1.516 25483 2931 1 6 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.194 -1.077 25483 2932 1 6 . 1 1 77 77 GLU H H 77 7.461 7.461 7.693 -0.232 25483 2933 1 6 . 1 1 78 78 ASP N N 78 123.339 123.339 119.940 3.399 25483 2934 1 6 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.426 0.025 25483 2935 1 6 . 1 1 78 78 ASP C C 78 178.412 178.412 178.439 -0.027 25483 2936 1 6 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.878 0.592 25483 2937 1 6 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.825 -0.282 25483 2938 1 6 . 1 1 78 78 ASP H H 78 8.650 8.650 8.100 0.550 25483 2939 1 6 . 1 1 79 79 GLU N N 79 115.360 115.360 117.438 -2.078 25483 2940 1 6 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.252 0.080 25483 2941 1 6 . 1 1 79 79 GLU C C 79 176.861 176.861 177.754 -0.893 25483 2942 1 6 . 1 1 79 79 GLU CA C 79 56.315 56.315 56.854 -0.539 25483 2943 1 6 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.206 0.495 25483 2944 1 6 . 1 1 79 79 GLU H H 79 7.791 7.791 7.897 -0.106 25483 2945 1 6 . 1 1 80 80 GLY N N 80 108.851 108.851 107.485 1.366 25483 2946 1 6 . 1 1 80 80 GLY C C 80 176.085 176.085 174.005 2.080 25483 2947 1 6 . 1 1 80 80 GLY CA C 80 46.241 46.241 44.911 1.330 25483 2948 1 6 . 1 1 80 80 GLY H H 80 8.078 8.078 8.107 -0.029 25483 2949 1 6 . 1 1 81 81 LYS N N 81 116.858 116.858 118.954 -2.096 25483 2950 1 6 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.666 -0.221 25483 2951 1 6 . 1 1 81 81 LYS C C 81 176.789 176.789 176.490 0.299 25483 2952 1 6 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.406 1.162 25483 2953 1 6 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.191 2.813 25483 2954 1 6 . 1 1 81 81 LYS H H 81 8.216 8.216 8.361 -0.145 25483 2955 1 6 . 1 1 82 82 LEU N N 82 122.543 122.543 118.574 3.969 25483 2956 1 6 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.158 -0.117 25483 2957 1 6 . 1 1 82 82 LEU C C 82 177.466 177.466 177.404 0.062 25483 2958 1 6 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.995 -0.498 25483 2959 1 6 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.381 -0.892 25483 2960 1 6 . 1 1 82 82 LEU H H 82 7.516 7.516 7.881 -0.365 25483 2961 1 6 . 1 1 83 83 ASP N N 83 119.643 119.643 120.494 -0.851 25483 2962 1 6 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.274 0.032 25483 2963 1 6 . 1 1 83 83 ASP C C 83 178.744 178.744 177.892 0.852 25483 2964 1 6 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.691 1.047 25483 2965 1 6 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.045 -0.091 25483 2966 1 6 . 1 1 83 83 ASP H H 83 8.662 8.662 8.604 0.058 25483 2967 1 6 . 1 1 84 84 SER N N 84 113.208 113.208 114.252 -1.044 25483 2968 1 6 . 1 1 84 84 SER HA H 84 4.266 4.266 4.290 -0.024 25483 2969 1 6 . 1 1 84 84 SER C C 84 177.581 177.581 175.913 1.668 25483 2970 1 6 . 1 1 84 84 SER CA C 84 61.483 61.483 60.590 0.893 25483 2971 1 6 . 1 1 84 84 SER CB C 84 62.667 62.667 63.049 -0.382 25483 2972 1 6 . 1 1 84 84 SER H H 84 8.425 8.425 8.253 0.172 25483 2973 1 6 . 1 1 85 85 LEU N N 85 126.393 126.393 123.383 3.010 25483 2974 1 6 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.199 0.156 25483 2975 1 6 . 1 1 85 85 LEU C C 85 178.692 178.692 177.710 0.982 25483 2976 1 6 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.018 0.391 25483 2977 1 6 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.216 -0.701 25483 2978 1 6 . 1 1 85 85 LEU H H 85 7.577 7.577 7.301 0.276 25483 2979 1 6 . 1 1 86 86 LEU N N 86 117.833 117.833 112.290 5.543 25483 2980 1 6 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.360 -0.477 25483 2981 1 6 . 1 1 86 86 LEU C C 86 177.470 177.470 177.984 -0.514 25483 2982 1 6 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.533 1.248 25483 2983 1 6 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.552 0.250 25483 2984 1 6 . 1 1 86 86 LEU H H 86 8.406 8.406 8.113 0.293 25483 2985 1 6 . 1 1 87 87 LYS N N 87 113.997 113.997 117.337 -3.340 25483 2986 1 6 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.257 0.132 25483 2987 1 6 . 1 1 87 87 LYS C C 87 178.282 178.282 177.169 1.113 25483 2988 1 6 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.278 0.056 25483 2989 1 6 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.911 0.002 25483 2990 1 6 . 1 1 87 87 LYS H H 87 7.548 7.548 7.589 -0.041 25483 2991 1 6 . 1 1 88 88 THR N N 88 106.050 106.050 109.002 -2.952 25483 2992 1 6 . 1 1 88 88 THR HA H 88 4.545 4.545 4.392 0.153 25483 2993 1 6 . 1 1 88 88 THR C C 88 176.566 176.566 173.153 3.413 25483 2994 1 6 . 1 1 88 88 THR CA C 88 62.396 62.396 62.196 0.200 25483 2995 1 6 . 1 1 88 88 THR CB C 88 72.438 72.438 71.229 1.209 25483 2996 1 6 . 1 1 88 88 THR H H 88 8.178 8.178 8.235 -0.057 25483 2997 1 6 . 1 1 89 89 GLY N N 89 112.811 112.811 110.887 1.924 25483 2998 1 6 . 1 1 89 89 GLY C C 89 171.985 171.985 172.709 -0.724 25483 2999 1 6 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.128 1.688 25483 3000 1 6 . 1 1 89 89 GLY H H 89 9.153 9.153 7.892 1.261 25483 3001 1 6 . 1 1 90 90 LYS N N 90 117.650 117.650 123.849 -6.199 25483 3002 1 6 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.648 -0.138 25483 3003 1 6 . 1 1 90 90 LYS C C 90 174.330 174.330 176.118 -1.788 25483 3004 1 6 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.246 0.363 25483 3005 1 6 . 1 1 90 90 LYS CB C 90 35.701 35.701 33.983 1.718 25483 3006 1 6 . 1 1 90 90 LYS H H 90 7.940 7.940 8.234 -0.294 25483 3007 1 6 . 1 1 91 91 LEU N N 91 123.149 123.149 122.787 0.362 25483 3008 1 6 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.537 -0.068 25483 3009 1 6 . 1 1 91 91 LEU C C 91 175.848 175.848 177.497 -1.649 25483 3010 1 6 . 1 1 91 91 LEU CA C 91 54.600 54.600 56.689 -2.089 25483 3011 1 6 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.248 0.763 25483 3012 1 6 . 1 1 91 91 LEU H H 91 8.501 8.501 8.437 0.064 25483 3013 1 7 . 1 1 3 3 GLY N N 3 110.312 110.312 107.915 2.397 25483 3014 1 7 . 1 1 3 3 GLY C C 3 174.169 174.169 173.469 0.700 25483 3015 1 7 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.721 0.754 25483 3016 1 7 . 1 1 3 3 GLY H H 3 8.679 8.679 8.132 0.547 25483 3017 1 7 . 1 1 4 4 SER N N 4 115.617 115.617 118.237 -2.620 25483 3018 1 7 . 1 1 4 4 SER HA H 4 4.499 4.499 5.003 -0.504 25483 3019 1 7 . 1 1 4 4 SER C C 4 174.408 174.408 173.566 0.842 25483 3020 1 7 . 1 1 4 4 SER CA C 4 58.541 58.541 58.132 0.409 25483 3021 1 7 . 1 1 4 4 SER CB C 4 63.920 63.920 63.208 0.712 25483 3022 1 7 . 1 1 4 4 SER H H 4 8.237 8.237 8.389 -0.152 25483 3023 1 7 . 1 1 5 5 MET N N 5 121.390 121.390 121.381 0.009 25483 3024 1 7 . 1 1 5 5 MET HA H 5 4.702 4.702 5.079 -0.377 25483 3025 1 7 . 1 1 5 5 MET C C 5 176.122 176.122 174.057 2.065 25483 3026 1 7 . 1 1 5 5 MET CA C 5 55.600 55.600 54.688 0.912 25483 3027 1 7 . 1 1 5 5 MET CB C 5 34.357 34.357 34.438 -0.081 25483 3028 1 7 . 1 1 5 5 MET H H 5 8.309 8.309 8.202 0.107 25483 3029 1 7 . 1 1 6 6 VAL N N 6 117.990 117.990 116.483 1.507 25483 3030 1 7 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.458 -0.257 25483 3031 1 7 . 1 1 6 6 VAL C C 6 174.450 174.450 174.687 -0.237 25483 3032 1 7 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.433 0.985 25483 3033 1 7 . 1 1 6 6 VAL CB C 6 32.585 32.585 33.671 -1.086 25483 3034 1 7 . 1 1 6 6 VAL H H 6 8.175 8.175 8.158 0.017 25483 3035 1 7 . 1 1 7 7 ASP N N 7 121.785 121.785 120.817 0.968 25483 3036 1 7 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.930 -0.362 25483 3037 1 7 . 1 1 7 7 ASP C C 7 175.866 175.866 175.354 0.512 25483 3038 1 7 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.923 1.245 25483 3039 1 7 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.768 -2.169 25483 3040 1 7 . 1 1 7 7 ASP H H 7 8.332 8.332 8.202 0.130 25483 3041 1 7 . 1 1 8 8 VAL N N 8 124.023 124.023 121.972 2.051 25483 3042 1 7 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.864 0.134 25483 3043 1 7 . 1 1 8 8 VAL C C 8 174.859 174.859 175.740 -0.881 25483 3044 1 7 . 1 1 8 8 VAL CA C 8 61.461 61.461 61.835 -0.374 25483 3045 1 7 . 1 1 8 8 VAL CB C 8 33.321 33.321 33.096 0.225 25483 3046 1 7 . 1 1 8 8 VAL H H 8 8.658 8.658 8.395 0.263 25483 3047 1 7 . 1 1 9 9 ILE N N 9 129.744 129.744 124.834 4.910 25483 3048 1 7 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.589 0.422 25483 3049 1 7 . 1 1 9 9 ILE C C 9 174.323 174.323 174.101 0.222 25483 3050 1 7 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.560 -0.863 25483 3051 1 7 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.926 -1.647 25483 3052 1 7 . 1 1 9 9 ILE H H 9 9.306 9.306 8.881 0.425 25483 3053 1 7 . 1 1 10 10 ILE N N 10 123.657 123.657 122.223 1.434 25483 3054 1 7 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.267 0.132 25483 3055 1 7 . 1 1 10 10 ILE C C 10 173.066 173.066 173.793 -0.727 25483 3056 1 7 . 1 1 10 10 ILE CA C 10 58.489 58.489 59.139 -0.650 25483 3057 1 7 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.754 -0.957 25483 3058 1 7 . 1 1 10 10 ILE H H 10 8.734 8.734 8.605 0.129 25483 3059 1 7 . 1 1 11 11 TYR N N 11 128.973 128.973 128.017 0.956 25483 3060 1 7 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.810 0.877 25483 3061 1 7 . 1 1 11 11 TYR C C 11 176.756 176.756 174.697 2.059 25483 3062 1 7 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.159 -0.751 25483 3063 1 7 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.949 1.335 25483 3064 1 7 . 1 1 11 11 TYR H H 11 9.292 9.292 9.179 0.113 25483 3065 1 7 . 1 1 12 12 THR N N 12 112.725 112.725 116.320 -3.595 25483 3066 1 7 . 1 1 12 12 THR HA H 12 5.732 5.732 4.554 1.178 25483 3067 1 7 . 1 1 12 12 THR C C 12 172.866 172.866 173.173 -0.307 25483 3068 1 7 . 1 1 12 12 THR CA C 12 59.671 59.671 61.137 -1.466 25483 3069 1 7 . 1 1 12 12 THR CB C 12 72.735 72.735 70.918 1.817 25483 3070 1 7 . 1 1 12 12 THR H H 12 9.253 9.253 8.115 1.138 25483 3071 1 7 . 1 1 13 13 ARG N N 13 116.857 116.857 121.230 -4.373 25483 3072 1 7 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.574 0.211 25483 3073 1 7 . 1 1 13 13 ARG C C 13 173.407 173.407 175.280 -1.873 25483 3074 1 7 . 1 1 13 13 ARG CA C 13 53.254 53.254 54.628 -1.374 25483 3075 1 7 . 1 1 13 13 ARG CB C 13 31.597 31.597 29.620 1.977 25483 3076 1 7 . 1 1 13 13 ARG H H 13 8.695 8.695 8.400 0.295 25483 3077 1 7 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.649 -0.488 25483 3078 1 7 . 1 1 14 14 PRO C C 14 177.642 177.642 176.577 1.065 25483 3079 1 7 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.000 -5.022 25483 3080 1 7 . 1 1 14 14 PRO CB C 14 30.197 30.197 30.089 0.108 25483 3081 1 7 . 1 1 15 15 GLY N N 15 108.958 108.958 112.194 -3.236 25483 3082 1 7 . 1 1 15 15 GLY C C 15 173.520 173.520 173.982 -0.462 25483 3083 1 7 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.422 0.611 25483 3084 1 7 . 1 1 15 15 GLY H H 15 8.534 8.534 8.701 -0.167 25483 3085 1 7 . 1 1 16 16 CYS N N 16 122.701 122.701 121.786 0.915 25483 3086 1 7 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.413 0.622 25483 3087 1 7 . 1 1 16 16 CYS C C 16 175.994 175.994 173.238 2.756 25483 3088 1 7 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.804 -4.586 25483 3089 1 7 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.277 4.437 25483 3090 1 7 . 1 1 16 16 CYS H H 16 7.476 7.476 8.871 -1.395 25483 3091 1 7 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.532 -0.192 25483 3092 1 7 . 1 1 17 17 PRO C C 17 178.531 178.531 176.948 1.583 25483 3093 1 7 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.618 1.913 25483 3094 1 7 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.269 -0.129 25483 3095 1 7 . 1 1 18 18 TYR N N 18 121.799 121.799 119.266 2.533 25483 3096 1 7 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.572 -0.150 25483 3097 1 7 . 1 1 18 18 TYR C C 18 178.508 178.508 175.833 2.675 25483 3098 1 7 . 1 1 18 18 TYR CA C 18 61.076 61.076 58.097 2.979 25483 3099 1 7 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.570 1.863 25483 3100 1 7 . 1 1 18 18 TYR H H 18 8.148 8.148 8.889 -0.741 25483 3101 1 7 . 1 1 19 19 CYS N N 19 122.966 122.966 117.159 5.807 25483 3102 1 7 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.755 -0.753 25483 3103 1 7 . 1 1 19 19 CYS C C 19 177.642 177.642 175.636 2.006 25483 3104 1 7 . 1 1 19 19 CYS CA C 19 64.471 64.471 56.079 8.392 25483 3105 1 7 . 1 1 19 19 CYS CB C 19 31.017 31.017 28.294 2.723 25483 3106 1 7 . 1 1 19 19 CYS H H 19 7.833 7.833 7.862 -0.029 25483 3107 1 7 . 1 1 20 20 ALA N N 20 121.738 121.738 125.215 -3.477 25483 3108 1 7 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.867 0.283 25483 3109 1 7 . 1 1 20 20 ALA C C 20 180.531 180.531 178.976 1.555 25483 3110 1 7 . 1 1 20 20 ALA CA C 20 55.584 55.584 55.340 0.244 25483 3111 1 7 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.352 -0.323 25483 3112 1 7 . 1 1 20 20 ALA H H 20 7.080 7.080 8.248 -1.168 25483 3113 1 7 . 1 1 21 21 ARG N N 21 119.812 119.812 118.927 0.885 25483 3114 1 7 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.012 0.230 25483 3115 1 7 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.546 -1.621 25483 3116 1 7 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.242 0.626 25483 3117 1 7 . 1 1 21 21 ARG H H 21 8.039 8.039 8.380 -0.341 25483 3118 1 7 . 1 1 22 22 ALA N N 22 124.459 124.459 121.118 3.341 25483 3119 1 7 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.923 0.217 25483 3120 1 7 . 1 1 22 22 ALA C C 22 178.267 178.267 179.276 -1.009 25483 3121 1 7 . 1 1 22 22 ALA CA C 22 55.671 55.671 55.023 0.648 25483 3122 1 7 . 1 1 22 22 ALA CB C 22 19.225 19.225 17.900 1.325 25483 3123 1 7 . 1 1 22 22 ALA H H 22 7.768 7.768 7.929 -0.161 25483 3124 1 7 . 1 1 23 23 LYS N N 23 116.014 116.014 118.416 -2.402 25483 3125 1 7 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.393 -0.092 25483 3126 1 7 . 1 1 23 23 LYS C C 23 177.995 177.995 178.678 -0.683 25483 3127 1 7 . 1 1 23 23 LYS CA C 23 60.722 60.722 58.337 2.385 25483 3128 1 7 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.785 -0.135 25483 3129 1 7 . 1 1 23 23 LYS H H 23 7.984 7.984 7.365 0.619 25483 3130 1 7 . 1 1 24 24 ALA N N 24 120.042 120.042 122.647 -2.605 25483 3131 1 7 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.046 0.164 25483 3132 1 7 . 1 1 24 24 ALA C C 24 180.610 180.610 179.624 0.986 25483 3133 1 7 . 1 1 24 24 ALA CA C 24 54.865 54.865 55.095 -0.230 25483 3134 1 7 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.070 -0.134 25483 3135 1 7 . 1 1 24 24 ALA H H 24 8.040 8.040 8.209 -0.169 25483 3136 1 7 . 1 1 25 25 LEU N N 25 119.514 119.514 120.098 -0.584 25483 3137 1 7 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.866 0.286 25483 3138 1 7 . 1 1 25 25 LEU C C 25 177.834 177.834 178.699 -0.865 25483 3139 1 7 . 1 1 25 25 LEU CA C 25 57.688 57.688 58.288 -0.600 25483 3140 1 7 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.754 -1.019 25483 3141 1 7 . 1 1 25 25 LEU H H 25 7.150 7.150 7.392 -0.242 25483 3142 1 7 . 1 1 26 26 LEU N N 26 117.253 117.253 118.268 -1.015 25483 3143 1 7 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.793 -0.040 25483 3144 1 7 . 1 1 26 26 LEU C C 26 178.553 178.553 178.982 -0.429 25483 3145 1 7 . 1 1 26 26 LEU CA C 26 58.475 58.475 58.041 0.434 25483 3146 1 7 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.205 -0.141 25483 3147 1 7 . 1 1 26 26 LEU H H 26 7.576 7.576 7.567 0.009 25483 3148 1 7 . 1 1 27 27 ALA N N 27 119.606 119.606 120.914 -1.308 25483 3149 1 7 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.152 0.189 25483 3150 1 7 . 1 1 27 27 ALA C C 27 182.219 182.219 180.398 1.821 25483 3151 1 7 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.913 0.413 25483 3152 1 7 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.344 -0.236 25483 3153 1 7 . 1 1 27 27 ALA H H 27 8.629 8.629 8.414 0.215 25483 3154 1 7 . 1 1 28 28 ARG N N 28 121.081 121.081 120.149 0.932 25483 3155 1 7 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.118 0.047 25483 3156 1 7 . 1 1 28 28 ARG C C 28 178.659 178.659 178.303 0.356 25483 3157 1 7 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.480 0.701 25483 3158 1 7 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.387 -0.467 25483 3159 1 7 . 1 1 28 28 ARG H H 28 7.992 7.992 8.237 -0.245 25483 3160 1 7 . 1 1 29 29 LYS N N 29 115.790 115.790 115.913 -0.123 25483 3161 1 7 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.330 -0.096 25483 3162 1 7 . 1 1 29 29 LYS C C 29 176.666 176.666 176.460 0.206 25483 3163 1 7 . 1 1 29 29 LYS CA C 29 54.945 54.945 56.186 -1.241 25483 3164 1 7 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.443 -1.002 25483 3165 1 7 . 1 1 29 29 LYS H H 29 7.663 7.663 7.875 -0.212 25483 3166 1 7 . 1 1 30 30 GLY N N 30 107.767 107.767 107.825 -0.058 25483 3167 1 7 . 1 1 30 30 GLY C C 30 174.014 174.014 174.953 -0.939 25483 3168 1 7 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.715 -0.310 25483 3169 1 7 . 1 1 30 30 GLY H H 30 7.930 7.930 7.510 0.420 25483 3170 1 7 . 1 1 31 31 ALA N N 31 122.192 122.192 121.304 0.888 25483 3171 1 7 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.271 0.232 25483 3172 1 7 . 1 1 31 31 ALA C C 31 176.691 176.691 176.336 0.355 25483 3173 1 7 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.320 -0.689 25483 3174 1 7 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.020 -0.083 25483 3175 1 7 . 1 1 31 31 ALA H H 31 7.844 7.844 7.702 0.142 25483 3176 1 7 . 1 1 32 32 GLU N N 32 123.903 123.903 120.189 3.714 25483 3177 1 7 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.447 -0.212 25483 3178 1 7 . 1 1 32 32 GLU C C 32 176.080 176.080 175.239 0.841 25483 3179 1 7 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.192 0.543 25483 3180 1 7 . 1 1 32 32 GLU CB C 32 29.777 29.777 31.581 -1.804 25483 3181 1 7 . 1 1 32 32 GLU H H 32 8.337 8.337 8.468 -0.131 25483 3182 1 7 . 1 1 33 33 PHE N N 33 116.634 116.634 119.567 -2.933 25483 3183 1 7 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.334 -0.102 25483 3184 1 7 . 1 1 33 33 PHE C C 33 173.397 173.397 173.986 -0.589 25483 3185 1 7 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.897 -0.676 25483 3186 1 7 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.494 0.014 25483 3187 1 7 . 1 1 33 33 PHE H H 33 7.640 7.640 7.739 -0.099 25483 3188 1 7 . 1 1 34 34 ASN N N 34 120.133 120.133 119.895 0.238 25483 3189 1 7 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.955 0.016 25483 3190 1 7 . 1 1 34 34 ASN C C 34 173.199 173.199 174.129 -0.930 25483 3191 1 7 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.178 0.002 25483 3192 1 7 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.362 -1.522 25483 3193 1 7 . 1 1 34 34 ASN H H 34 8.921 8.921 8.545 0.376 25483 3194 1 7 . 1 1 35 35 GLU N N 35 126.204 126.204 123.510 2.694 25483 3195 1 7 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.981 0.197 25483 3196 1 7 . 1 1 35 35 GLU C C 35 175.185 175.185 175.869 -0.684 25483 3197 1 7 . 1 1 35 35 GLU CA C 35 54.551 54.551 55.709 -1.158 25483 3198 1 7 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.521 -0.084 25483 3199 1 7 . 1 1 35 35 GLU H H 35 8.758 8.758 8.684 0.074 25483 3200 1 7 . 1 1 36 36 ILE N N 36 130.012 130.012 122.865 7.147 25483 3201 1 7 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.127 0.034 25483 3202 1 7 . 1 1 36 36 ILE C C 36 174.987 174.987 174.513 0.474 25483 3203 1 7 . 1 1 36 36 ILE CA C 36 60.183 60.183 60.010 0.173 25483 3204 1 7 . 1 1 36 36 ILE CB C 36 40.273 40.273 40.008 0.265 25483 3205 1 7 . 1 1 36 36 ILE H H 36 9.080 9.080 7.946 1.134 25483 3206 1 7 . 1 1 37 37 ASP N N 37 125.921 125.921 129.680 -3.759 25483 3207 1 7 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.536 0.466 25483 3208 1 7 . 1 1 37 37 ASP C C 37 176.847 176.847 175.658 1.189 25483 3209 1 7 . 1 1 37 37 ASP CA C 37 52.878 52.878 55.109 -2.231 25483 3210 1 7 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.374 -1.084 25483 3211 1 7 . 1 1 37 37 ASP H H 37 8.515 8.515 8.605 -0.090 25483 3212 1 7 . 1 1 38 38 ALA N N 38 130.525 130.525 126.105 4.420 25483 3213 1 7 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.537 0.121 25483 3214 1 7 . 1 1 38 38 ALA C C 38 175.507 175.507 177.499 -1.992 25483 3215 1 7 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.760 0.160 25483 3216 1 7 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.716 -0.104 25483 3217 1 7 . 1 1 38 38 ALA H H 38 8.845 8.845 7.772 1.073 25483 3218 1 7 . 1 1 39 39 SER N N 39 111.653 111.653 111.984 -0.331 25483 3219 1 7 . 1 1 39 39 SER HA H 39 4.425 4.425 4.206 0.219 25483 3220 1 7 . 1 1 39 39 SER C C 39 176.988 176.988 174.239 2.749 25483 3221 1 7 . 1 1 39 39 SER CA C 39 59.504 59.504 59.537 -0.033 25483 3222 1 7 . 1 1 39 39 SER CB C 39 64.768 64.768 61.992 2.776 25483 3223 1 7 . 1 1 39 39 SER H H 39 8.727 8.727 8.959 -0.232 25483 3224 1 7 . 1 1 40 40 ALA N N 40 124.164 124.164 121.695 2.469 25483 3225 1 7 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.547 -0.318 25483 3226 1 7 . 1 1 40 40 ALA C C 40 178.039 178.039 176.960 1.079 25483 3227 1 7 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.456 2.391 25483 3228 1 7 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.479 -0.101 25483 3229 1 7 . 1 1 40 40 ALA H H 40 7.543 7.543 8.367 -0.824 25483 3230 1 7 . 1 1 41 41 THR N N 41 106.060 106.060 113.245 -7.185 25483 3231 1 7 . 1 1 41 41 THR HA H 41 5.006 5.006 4.874 0.132 25483 3232 1 7 . 1 1 41 41 THR C C 41 173.200 173.200 173.060 0.140 25483 3233 1 7 . 1 1 41 41 THR CA C 41 57.856 57.856 58.021 -0.165 25483 3234 1 7 . 1 1 41 41 THR CB C 41 70.541 70.541 70.235 0.306 25483 3235 1 7 . 1 1 41 41 THR H H 41 7.162 7.162 7.618 -0.456 25483 3236 1 7 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.423 -0.098 25483 3237 1 7 . 1 1 42 42 PRO C C 42 179.534 179.534 178.014 1.520 25483 3238 1 7 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.725 0.082 25483 3239 1 7 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.059 -0.318 25483 3240 1 7 . 1 1 43 43 GLU N N 43 118.723 118.723 118.997 -0.274 25483 3241 1 7 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.213 -0.105 25483 3242 1 7 . 1 1 43 43 GLU C C 43 179.692 179.692 178.741 0.951 25483 3243 1 7 . 1 1 43 43 GLU CA C 43 60.721 60.721 58.450 2.271 25483 3244 1 7 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.538 -0.987 25483 3245 1 7 . 1 1 43 43 GLU H H 43 9.124 9.124 8.179 0.945 25483 3246 1 7 . 1 1 44 44 LEU N N 44 121.970 121.970 120.057 1.913 25483 3247 1 7 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.385 -0.045 25483 3248 1 7 . 1 1 44 44 LEU C C 44 178.924 178.924 178.432 0.492 25483 3249 1 7 . 1 1 44 44 LEU CA C 44 57.472 57.472 57.635 -0.163 25483 3250 1 7 . 1 1 44 44 LEU CB C 44 42.432 42.432 42.289 0.143 25483 3251 1 7 . 1 1 44 44 LEU H H 44 7.838 7.838 7.480 0.358 25483 3252 1 7 . 1 1 45 45 ARG N N 45 122.130 122.130 117.875 4.255 25483 3253 1 7 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.991 0.102 25483 3254 1 7 . 1 1 45 45 ARG C C 45 178.955 178.955 178.344 0.611 25483 3255 1 7 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.201 0.923 25483 3256 1 7 . 1 1 45 45 ARG CB C 45 30.147 30.147 29.203 0.944 25483 3257 1 7 . 1 1 45 45 ARG H H 45 7.762 7.762 7.764 -0.002 25483 3258 1 7 . 1 1 46 46 ALA N N 46 121.165 121.165 121.546 -0.381 25483 3259 1 7 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.119 0.017 25483 3260 1 7 . 1 1 46 46 ALA C C 46 179.912 179.912 179.396 0.516 25483 3261 1 7 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.725 0.220 25483 3262 1 7 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.059 -0.347 25483 3263 1 7 . 1 1 46 46 ALA H H 46 8.160 8.160 7.876 0.284 25483 3264 1 7 . 1 1 47 47 GLU N N 47 120.906 120.906 119.557 1.349 25483 3265 1 7 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.025 0.028 25483 3266 1 7 . 1 1 47 47 GLU C C 47 178.039 178.039 178.944 -0.905 25483 3267 1 7 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.268 0.232 25483 3268 1 7 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.570 0.241 25483 3269 1 7 . 1 1 47 47 GLU H H 47 7.918 7.918 7.782 0.136 25483 3270 1 7 . 1 1 48 48 MET N N 48 118.645 118.645 116.873 1.772 25483 3271 1 7 . 1 1 48 48 MET HA H 48 2.897 2.897 4.206 -1.309 25483 3272 1 7 . 1 1 48 48 MET C C 48 180.282 180.282 178.497 1.785 25483 3273 1 7 . 1 1 48 48 MET CA C 48 59.540 59.540 58.353 1.187 25483 3274 1 7 . 1 1 48 48 MET CB C 48 33.502 33.502 32.630 0.872 25483 3275 1 7 . 1 1 48 48 MET H H 48 8.047 8.047 7.554 0.493 25483 3276 1 7 . 1 1 49 49 GLN N N 49 122.104 122.104 119.486 2.618 25483 3277 1 7 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.109 0.230 25483 3278 1 7 . 1 1 49 49 GLN C C 49 178.780 178.780 177.206 1.574 25483 3279 1 7 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.676 0.068 25483 3280 1 7 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.453 -0.215 25483 3281 1 7 . 1 1 49 49 GLN H H 49 8.237 8.237 8.073 0.164 25483 3282 1 7 . 1 1 50 50 GLU N N 50 121.947 121.947 119.796 2.151 25483 3283 1 7 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.053 -0.084 25483 3284 1 7 . 1 1 50 50 GLU C C 50 178.863 178.863 178.081 0.782 25483 3285 1 7 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.973 0.158 25483 3286 1 7 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.596 0.123 25483 3287 1 7 . 1 1 50 50 GLU H H 50 8.659 8.659 7.769 0.890 25483 3288 1 7 . 1 1 51 51 ARG N N 51 115.832 115.832 116.330 -0.498 25483 3289 1 7 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.334 -0.274 25483 3290 1 7 . 1 1 51 51 ARG C C 51 177.748 177.748 175.794 1.954 25483 3291 1 7 . 1 1 51 51 ARG CA C 51 58.480 58.480 55.901 2.579 25483 3292 1 7 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.758 0.400 25483 3293 1 7 . 1 1 51 51 ARG H H 51 8.231 8.231 7.919 0.312 25483 3294 1 7 . 1 1 52 52 SER N N 52 109.790 109.790 112.847 -3.057 25483 3295 1 7 . 1 1 52 52 SER HA H 52 3.759 3.759 4.178 -0.419 25483 3296 1 7 . 1 1 52 52 SER C C 52 174.149 174.149 174.805 -0.656 25483 3297 1 7 . 1 1 52 52 SER CA C 52 58.883 58.883 58.465 0.417 25483 3298 1 7 . 1 1 52 52 SER CB C 52 66.744 66.744 61.598 5.146 25483 3299 1 7 . 1 1 52 52 SER H H 52 8.032 8.032 8.248 -0.216 25483 3300 1 7 . 1 1 53 53 GLY N N 53 112.524 112.524 109.088 3.436 25483 3301 1 7 . 1 1 53 53 GLY C C 53 173.690 173.690 174.540 -0.850 25483 3302 1 7 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.609 1.484 25483 3303 1 7 . 1 1 53 53 GLY H H 53 8.239 8.239 8.304 -0.065 25483 3304 1 7 . 1 1 54 54 ARG N N 54 119.453 119.453 118.908 0.545 25483 3305 1 7 . 1 1 54 54 ARG HA H 54 4.653 4.653 3.975 0.678 25483 3306 1 7 . 1 1 54 54 ARG C C 54 174.144 174.144 175.627 -1.483 25483 3307 1 7 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.717 -2.057 25483 3308 1 7 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.623 4.632 25483 3309 1 7 . 1 1 54 54 ARG H H 54 8.309 8.309 8.336 -0.027 25483 3310 1 7 . 1 1 55 55 ASN N N 55 112.521 112.521 115.763 -3.242 25483 3311 1 7 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.814 -0.121 25483 3312 1 7 . 1 1 55 55 ASN C C 55 175.197 175.197 175.112 0.085 25483 3313 1 7 . 1 1 55 55 ASN CA C 55 51.681 51.681 53.045 -1.364 25483 3314 1 7 . 1 1 55 55 ASN CB C 55 39.468 39.468 39.076 0.392 25483 3315 1 7 . 1 1 55 55 ASN H H 55 8.154 8.154 8.468 -0.314 25483 3316 1 7 . 1 1 56 56 THR N N 56 107.919 107.919 113.200 -5.281 25483 3317 1 7 . 1 1 56 56 THR HA H 56 4.356 4.356 4.115 0.241 25483 3318 1 7 . 1 1 56 56 THR C C 56 172.477 172.477 174.170 -1.693 25483 3319 1 7 . 1 1 56 56 THR CA C 56 59.438 59.438 62.764 -3.326 25483 3320 1 7 . 1 1 56 56 THR CB C 56 70.636 70.636 69.286 1.350 25483 3321 1 7 . 1 1 56 56 THR H H 56 6.778 6.778 7.388 -0.610 25483 3322 1 7 . 1 1 57 57 PHE N N 57 117.789 117.789 117.353 0.436 25483 3323 1 7 . 1 1 57 57 PHE HA H 57 4.725 4.725 4.968 -0.243 25483 3324 1 7 . 1 1 57 57 PHE C C 57 174.241 174.241 173.256 0.985 25483 3325 1 7 . 1 1 57 57 PHE CA C 57 55.088 55.088 53.093 1.995 25483 3326 1 7 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.539 4.966 25483 3327 1 7 . 1 1 57 57 PHE H H 57 8.469 8.469 6.737 1.732 25483 3328 1 7 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.557 1.056 25483 3329 1 7 . 1 1 58 58 PRO C C 58 177.062 177.062 175.778 1.284 25483 3330 1 7 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.867 0.315 25483 3331 1 7 . 1 1 58 58 PRO CB C 58 36.461 36.461 32.961 3.500 25483 3332 1 7 . 1 1 59 59 GLN N N 59 112.113 112.113 117.051 -4.938 25483 3333 1 7 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.969 -0.149 25483 3334 1 7 . 1 1 59 59 GLN C C 59 175.655 175.655 175.905 -0.250 25483 3335 1 7 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.699 0.469 25483 3336 1 7 . 1 1 59 59 GLN CB C 59 31.479 31.479 30.576 0.903 25483 3337 1 7 . 1 1 59 59 GLN H H 59 8.041 8.041 8.087 -0.046 25483 3338 1 7 . 1 1 60 60 ILE N N 60 123.134 123.134 123.135 -0.001 25483 3339 1 7 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.686 0.272 25483 3340 1 7 . 1 1 60 60 ILE C C 60 174.350 174.350 174.431 -0.081 25483 3341 1 7 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.335 1.839 25483 3342 1 7 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.467 1.361 25483 3343 1 7 . 1 1 60 60 ILE H H 60 8.940 8.940 7.780 1.160 25483 3344 1 7 . 1 1 61 61 PHE N N 61 128.163 128.163 123.630 4.533 25483 3345 1 7 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.779 0.614 25483 3346 1 7 . 1 1 61 61 PHE C C 61 174.659 174.659 174.425 0.234 25483 3347 1 7 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.759 -0.113 25483 3348 1 7 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.026 -1.291 25483 3349 1 7 . 1 1 61 61 PHE H H 61 9.645 9.645 9.092 0.553 25483 3350 1 7 . 1 1 62 62 ILE N N 62 122.592 122.592 119.358 3.234 25483 3351 1 7 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.827 -0.197 25483 3352 1 7 . 1 1 62 62 ILE C C 62 175.360 175.360 176.114 -0.754 25483 3353 1 7 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.714 1.294 25483 3354 1 7 . 1 1 62 62 ILE CB C 62 39.569 39.569 39.369 0.200 25483 3355 1 7 . 1 1 62 62 ILE H H 62 9.066 9.066 8.278 0.788 25483 3356 1 7 . 1 1 63 63 GLY N N 63 116.263 116.263 118.996 -2.733 25483 3357 1 7 . 1 1 63 63 GLY C C 63 175.630 175.630 174.346 1.284 25483 3358 1 7 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.477 0.776 25483 3359 1 7 . 1 1 63 63 GLY H H 63 9.307 9.307 8.317 0.990 25483 3360 1 7 . 1 1 64 64 SER N N 64 122.053 122.053 119.419 2.634 25483 3361 1 7 . 1 1 64 64 SER HA H 64 4.566 4.566 4.717 -0.151 25483 3362 1 7 . 1 1 64 64 SER C C 64 173.891 173.891 173.823 0.068 25483 3363 1 7 . 1 1 64 64 SER CA C 64 59.071 59.071 57.673 1.398 25483 3364 1 7 . 1 1 64 64 SER CB C 64 63.895 63.895 63.418 0.477 25483 3365 1 7 . 1 1 64 64 SER H H 64 9.236 9.236 8.574 0.662 25483 3366 1 7 . 1 1 65 65 VAL N N 65 124.553 124.553 122.080 2.473 25483 3367 1 7 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.428 -0.351 25483 3368 1 7 . 1 1 65 65 VAL C C 65 175.294 175.294 174.381 0.913 25483 3369 1 7 . 1 1 65 65 VAL CA C 65 62.735 62.735 60.855 1.880 25483 3370 1 7 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.693 -1.615 25483 3371 1 7 . 1 1 65 65 VAL H H 65 8.494 8.494 7.814 0.680 25483 3372 1 7 . 1 1 66 66 HIS N N 66 102.561 102.561 125.553 -22.992 25483 3373 1 7 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.560 -0.198 25483 3374 1 7 . 1 1 66 66 HIS CA C 66 54.613 54.613 56.334 -1.721 25483 3375 1 7 . 1 1 66 66 HIS CB C 66 30.941 30.941 31.157 -0.216 25483 3376 1 7 . 1 1 66 66 HIS H H 66 8.966 8.966 8.671 0.295 25483 3377 1 7 . 1 1 67 67 VAL N N 67 130.151 130.151 122.999 7.152 25483 3378 1 7 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.323 -0.893 25483 3379 1 7 . 1 1 67 67 VAL C C 67 174.677 174.677 175.846 -1.169 25483 3380 1 7 . 1 1 67 67 VAL CA C 67 64.029 64.029 61.145 2.884 25483 3381 1 7 . 1 1 67 67 VAL CB C 67 32.426 32.426 35.443 -3.017 25483 3382 1 7 . 1 1 67 67 VAL H H 67 8.214 8.214 7.263 0.951 25483 3383 1 7 . 1 1 68 68 GLY N N 68 102.768 102.768 113.880 -11.112 25483 3384 1 7 . 1 1 68 68 GLY C C 68 173.023 173.023 174.217 -1.194 25483 3385 1 7 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.373 -3.593 25483 3386 1 7 . 1 1 68 68 GLY H H 68 6.436 6.436 8.934 -2.498 25483 3387 1 7 . 1 1 69 69 GLY N N 69 110.061 110.061 106.843 3.218 25483 3388 1 7 . 1 1 69 69 GLY C C 69 175.375 175.375 173.922 1.453 25483 3389 1 7 . 1 1 69 69 GLY CA C 69 43.923 43.923 45.303 -1.379 25483 3390 1 7 . 1 1 69 69 GLY H H 69 9.004 9.004 7.288 1.716 25483 3391 1 7 . 1 1 70 70 SER N N 70 113.592 113.592 117.257 -3.665 25483 3392 1 7 . 1 1 70 70 SER HA H 70 3.894 3.894 4.112 -0.218 25483 3393 1 7 . 1 1 70 70 SER CA C 70 62.816 62.816 61.881 0.935 25483 3394 1 7 . 1 1 70 70 SER H H 70 8.088 8.088 8.303 -0.215 25483 3395 1 7 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.128 0.276 25483 3396 1 7 . 1 1 71 71 ASP C C 71 179.115 179.115 177.560 1.555 25483 3397 1 7 . 1 1 71 71 ASP CA C 71 57.610 57.610 56.606 1.004 25483 3398 1 7 . 1 1 71 71 ASP CB C 71 39.325 39.325 39.311 0.014 25483 3399 1 7 . 1 1 72 72 ASP N N 72 119.325 119.325 120.139 -0.814 25483 3400 1 7 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.546 -0.200 25483 3401 1 7 . 1 1 72 72 ASP C C 72 177.816 177.816 177.817 -0.001 25483 3402 1 7 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.805 0.408 25483 3403 1 7 . 1 1 72 72 ASP CB C 72 41.409 41.409 41.295 0.114 25483 3404 1 7 . 1 1 72 72 ASP H H 72 7.232 7.232 7.493 -0.261 25483 3405 1 7 . 1 1 73 73 LEU N N 73 121.336 121.336 122.130 -0.794 25483 3406 1 7 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.875 -0.102 25483 3407 1 7 . 1 1 73 73 LEU C C 73 177.957 177.957 177.961 -0.004 25483 3408 1 7 . 1 1 73 73 LEU CA C 73 58.354 58.354 57.990 0.364 25483 3409 1 7 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.760 0.416 25483 3410 1 7 . 1 1 73 73 LEU H H 73 7.789 7.789 8.258 -0.469 25483 3411 1 7 . 1 1 74 74 TYR N N 74 116.570 116.570 117.263 -0.693 25483 3412 1 7 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.121 -0.372 25483 3413 1 7 . 1 1 74 74 TYR C C 74 178.275 178.275 177.299 0.976 25483 3414 1 7 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.937 0.761 25483 3415 1 7 . 1 1 74 74 TYR CB C 74 37.511 37.511 38.008 -0.497 25483 3416 1 7 . 1 1 74 74 TYR H H 74 8.318 8.318 8.547 -0.229 25483 3417 1 7 . 1 1 75 75 ALA N N 75 122.593 122.593 123.116 -0.523 25483 3418 1 7 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.946 0.309 25483 3419 1 7 . 1 1 75 75 ALA C C 75 180.162 180.162 179.365 0.797 25483 3420 1 7 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.171 0.432 25483 3421 1 7 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.055 -0.426 25483 3422 1 7 . 1 1 75 75 ALA H H 75 8.082 8.082 7.622 0.460 25483 3423 1 7 . 1 1 76 76 LEU N N 76 116.647 116.647 117.820 -1.173 25483 3424 1 7 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.880 0.175 25483 3425 1 7 . 1 1 76 76 LEU C C 76 179.538 179.538 179.440 0.098 25483 3426 1 7 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.873 -0.017 25483 3427 1 7 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.459 1.218 25483 3428 1 7 . 1 1 76 76 LEU H H 76 7.389 7.389 7.889 -0.500 25483 3429 1 7 . 1 1 77 77 GLU N N 77 121.342 121.342 118.558 2.784 25483 3430 1 7 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.949 0.648 25483 3431 1 7 . 1 1 77 77 GLU C C 77 179.674 179.674 179.261 0.413 25483 3432 1 7 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.163 -1.132 25483 3433 1 7 . 1 1 77 77 GLU CB C 77 28.117 28.117 28.869 -0.752 25483 3434 1 7 . 1 1 77 77 GLU H H 77 7.461 7.461 7.525 -0.064 25483 3435 1 7 . 1 1 78 78 ASP N N 78 123.339 123.339 119.027 4.312 25483 3436 1 7 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.569 -0.118 25483 3437 1 7 . 1 1 78 78 ASP C C 78 178.412 178.412 178.213 0.199 25483 3438 1 7 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.344 1.126 25483 3439 1 7 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.947 -0.403 25483 3440 1 7 . 1 1 78 78 ASP H H 78 8.650 8.650 8.012 0.638 25483 3441 1 7 . 1 1 79 79 GLU N N 79 115.360 115.360 117.449 -2.089 25483 3442 1 7 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.249 0.083 25483 3443 1 7 . 1 1 79 79 GLU C C 79 176.861 176.861 177.910 -1.049 25483 3444 1 7 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.315 -1.000 25483 3445 1 7 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.502 0.199 25483 3446 1 7 . 1 1 79 79 GLU H H 79 7.791 7.791 8.122 -0.331 25483 3447 1 7 . 1 1 80 80 GLY N N 80 108.851 108.851 106.467 2.384 25483 3448 1 7 . 1 1 80 80 GLY C C 80 176.085 176.085 174.287 1.798 25483 3449 1 7 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.134 1.107 25483 3450 1 7 . 1 1 80 80 GLY H H 80 8.078 8.078 8.163 -0.085 25483 3451 1 7 . 1 1 81 81 LYS N N 81 116.858 116.858 119.272 -2.414 25483 3452 1 7 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.638 -0.193 25483 3453 1 7 . 1 1 81 81 LYS C C 81 176.789 176.789 176.252 0.537 25483 3454 1 7 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.212 1.356 25483 3455 1 7 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.109 2.894 25483 3456 1 7 . 1 1 81 81 LYS H H 81 8.216 8.216 8.096 0.120 25483 3457 1 7 . 1 1 82 82 LEU N N 82 122.543 122.543 117.751 4.792 25483 3458 1 7 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.268 -0.227 25483 3459 1 7 . 1 1 82 82 LEU C C 82 177.466 177.466 177.876 -0.410 25483 3460 1 7 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.598 -0.101 25483 3461 1 7 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.509 -1.020 25483 3462 1 7 . 1 1 82 82 LEU H H 82 7.516 7.516 7.771 -0.255 25483 3463 1 7 . 1 1 83 83 ASP N N 83 119.643 119.643 119.910 -0.267 25483 3464 1 7 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.318 -0.012 25483 3465 1 7 . 1 1 83 83 ASP C C 83 178.744 178.744 177.583 1.161 25483 3466 1 7 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.486 1.252 25483 3467 1 7 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.158 -0.204 25483 3468 1 7 . 1 1 83 83 ASP H H 83 8.662 8.662 8.650 0.012 25483 3469 1 7 . 1 1 84 84 SER N N 84 113.208 113.208 112.912 0.296 25483 3470 1 7 . 1 1 84 84 SER HA H 84 4.266 4.266 4.430 -0.164 25483 3471 1 7 . 1 1 84 84 SER C C 84 177.581 177.581 176.285 1.296 25483 3472 1 7 . 1 1 84 84 SER CA C 84 61.483 61.483 60.420 1.063 25483 3473 1 7 . 1 1 84 84 SER CB C 84 62.667 62.667 63.125 -0.458 25483 3474 1 7 . 1 1 84 84 SER H H 84 8.425 8.425 8.374 0.051 25483 3475 1 7 . 1 1 85 85 LEU N N 85 126.393 126.393 124.096 2.297 25483 3476 1 7 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.258 0.097 25483 3477 1 7 . 1 1 85 85 LEU C C 85 178.692 178.692 178.399 0.293 25483 3478 1 7 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.132 0.277 25483 3479 1 7 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.131 -0.616 25483 3480 1 7 . 1 1 85 85 LEU H H 85 7.577 7.577 7.246 0.331 25483 3481 1 7 . 1 1 86 86 LEU N N 86 117.833 117.833 114.146 3.687 25483 3482 1 7 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.311 -0.428 25483 3483 1 7 . 1 1 86 86 LEU C C 86 177.470 177.470 178.315 -0.845 25483 3484 1 7 . 1 1 86 86 LEU CA C 86 57.781 57.781 57.113 0.668 25483 3485 1 7 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.202 0.600 25483 3486 1 7 . 1 1 86 86 LEU H H 86 8.406 8.406 8.610 -0.204 25483 3487 1 7 . 1 1 87 87 LYS N N 87 113.997 113.997 117.433 -3.436 25483 3488 1 7 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.269 0.120 25483 3489 1 7 . 1 1 87 87 LYS C C 87 178.282 178.282 176.930 1.352 25483 3490 1 7 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.181 0.153 25483 3491 1 7 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.185 0.728 25483 3492 1 7 . 1 1 87 87 LYS H H 87 7.548 7.548 7.662 -0.114 25483 3493 1 7 . 1 1 88 88 THR N N 88 106.050 106.050 105.933 0.117 25483 3494 1 7 . 1 1 88 88 THR HA H 88 4.545 4.545 4.496 0.049 25483 3495 1 7 . 1 1 88 88 THR C C 88 176.566 176.566 174.070 2.496 25483 3496 1 7 . 1 1 88 88 THR CA C 88 62.396 62.396 62.245 0.151 25483 3497 1 7 . 1 1 88 88 THR CB C 88 72.438 72.438 72.082 0.356 25483 3498 1 7 . 1 1 88 88 THR H H 88 8.178 8.178 7.835 0.343 25483 3499 1 7 . 1 1 89 89 GLY N N 89 112.811 112.811 111.751 1.060 25483 3500 1 7 . 1 1 89 89 GLY C C 89 171.985 171.985 172.426 -0.441 25483 3501 1 7 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.064 1.752 25483 3502 1 7 . 1 1 89 89 GLY H H 89 9.153 9.153 8.072 1.081 25483 3503 1 7 . 1 1 90 90 LYS N N 90 117.650 117.650 122.563 -4.913 25483 3504 1 7 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.634 -0.124 25483 3505 1 7 . 1 1 90 90 LYS C C 90 174.330 174.330 174.843 -0.513 25483 3506 1 7 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.265 0.344 25483 3507 1 7 . 1 1 90 90 LYS CB C 90 35.701 35.701 35.895 -0.194 25483 3508 1 7 . 1 1 90 90 LYS H H 90 7.940 7.940 8.211 -0.271 25483 3509 1 7 . 1 1 91 91 LEU N N 91 123.149 123.149 119.519 3.630 25483 3510 1 7 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.674 -0.205 25483 3511 1 7 . 1 1 91 91 LEU C C 91 175.848 175.848 177.187 -1.339 25483 3512 1 7 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.365 -0.765 25483 3513 1 7 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.150 0.861 25483 3514 1 7 . 1 1 91 91 LEU H H 91 8.501 8.501 8.297 0.204 25483 3515 1 8 . 1 1 3 3 GLY N N 3 110.312 110.312 108.363 1.949 25483 3516 1 8 . 1 1 3 3 GLY C C 3 174.169 174.169 174.488 -0.319 25483 3517 1 8 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.867 0.607 25483 3518 1 8 . 1 1 3 3 GLY H H 3 8.679 8.679 8.306 0.373 25483 3519 1 8 . 1 1 4 4 SER N N 4 115.617 115.617 118.508 -2.891 25483 3520 1 8 . 1 1 4 4 SER HA H 4 4.499 4.499 4.889 -0.390 25483 3521 1 8 . 1 1 4 4 SER C C 4 174.408 174.408 174.403 0.005 25483 3522 1 8 . 1 1 4 4 SER CA C 4 58.541 58.541 58.224 0.317 25483 3523 1 8 . 1 1 4 4 SER CB C 4 63.920 63.920 64.428 -0.508 25483 3524 1 8 . 1 1 4 4 SER H H 4 8.237 8.237 8.442 -0.205 25483 3525 1 8 . 1 1 5 5 MET N N 5 121.390 121.390 117.661 3.729 25483 3526 1 8 . 1 1 5 5 MET HA H 5 4.702 4.702 4.743 -0.041 25483 3527 1 8 . 1 1 5 5 MET C C 5 176.122 176.122 174.607 1.515 25483 3528 1 8 . 1 1 5 5 MET CA C 5 55.600 55.600 54.948 0.652 25483 3529 1 8 . 1 1 5 5 MET CB C 5 34.357 34.357 34.072 0.285 25483 3530 1 8 . 1 1 5 5 MET H H 5 8.309 8.309 8.131 0.178 25483 3531 1 8 . 1 1 6 6 VAL N N 6 117.990 117.990 121.203 -3.213 25483 3532 1 8 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.352 -0.151 25483 3533 1 8 . 1 1 6 6 VAL C C 6 174.450 174.450 174.798 -0.348 25483 3534 1 8 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.741 -0.323 25483 3535 1 8 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.246 0.339 25483 3536 1 8 . 1 1 6 6 VAL H H 6 8.175 8.175 8.226 -0.051 25483 3537 1 8 . 1 1 7 7 ASP N N 7 121.785 121.785 120.670 1.115 25483 3538 1 8 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.815 -0.247 25483 3539 1 8 . 1 1 7 7 ASP C C 7 175.866 175.866 174.658 1.208 25483 3540 1 8 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.478 1.690 25483 3541 1 8 . 1 1 7 7 ASP CB C 7 41.599 41.599 44.263 -2.664 25483 3542 1 8 . 1 1 7 7 ASP H H 7 8.332 8.332 8.339 -0.007 25483 3543 1 8 . 1 1 8 8 VAL N N 8 124.023 124.023 121.460 2.563 25483 3544 1 8 . 1 1 8 8 VAL HA H 8 4.998 4.998 5.052 -0.054 25483 3545 1 8 . 1 1 8 8 VAL C C 8 174.859 174.859 175.648 -0.789 25483 3546 1 8 . 1 1 8 8 VAL CA C 8 61.461 61.461 61.321 0.140 25483 3547 1 8 . 1 1 8 8 VAL CB C 8 33.321 33.321 33.369 -0.048 25483 3548 1 8 . 1 1 8 8 VAL H H 8 8.658 8.658 7.998 0.660 25483 3549 1 8 . 1 1 9 9 ILE N N 9 129.744 129.744 124.812 4.932 25483 3550 1 8 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.562 0.449 25483 3551 1 8 . 1 1 9 9 ILE C C 9 174.323 174.323 174.209 0.114 25483 3552 1 8 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.240 -0.544 25483 3553 1 8 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.639 -1.360 25483 3554 1 8 . 1 1 9 9 ILE H H 9 9.306 9.306 8.783 0.523 25483 3555 1 8 . 1 1 10 10 ILE N N 10 123.657 123.657 122.023 1.634 25483 3556 1 8 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.261 0.138 25483 3557 1 8 . 1 1 10 10 ILE C C 10 173.066 173.066 173.962 -0.896 25483 3558 1 8 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.775 -0.286 25483 3559 1 8 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.635 -0.838 25483 3560 1 8 . 1 1 10 10 ILE H H 10 8.734 8.734 8.772 -0.038 25483 3561 1 8 . 1 1 11 11 TYR N N 11 128.973 128.973 128.428 0.545 25483 3562 1 8 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.708 0.979 25483 3563 1 8 . 1 1 11 11 TYR C C 11 176.756 176.756 174.465 2.291 25483 3564 1 8 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.116 -0.708 25483 3565 1 8 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.521 1.763 25483 3566 1 8 . 1 1 11 11 TYR H H 11 9.292 9.292 8.650 0.642 25483 3567 1 8 . 1 1 12 12 THR N N 12 112.725 112.725 116.866 -4.141 25483 3568 1 8 . 1 1 12 12 THR HA H 12 5.732 5.732 4.584 1.148 25483 3569 1 8 . 1 1 12 12 THR C C 12 172.866 172.866 173.099 -0.233 25483 3570 1 8 . 1 1 12 12 THR CA C 12 59.671 59.671 61.148 -1.477 25483 3571 1 8 . 1 1 12 12 THR CB C 12 72.735 72.735 70.869 1.866 25483 3572 1 8 . 1 1 12 12 THR H H 12 9.253 9.253 8.055 1.198 25483 3573 1 8 . 1 1 13 13 ARG N N 13 116.857 116.857 123.203 -6.346 25483 3574 1 8 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.323 0.462 25483 3575 1 8 . 1 1 13 13 ARG C C 13 173.407 173.407 175.851 -2.444 25483 3576 1 8 . 1 1 13 13 ARG CA C 13 53.254 53.254 56.386 -3.132 25483 3577 1 8 . 1 1 13 13 ARG CB C 13 31.597 31.597 29.970 1.627 25483 3578 1 8 . 1 1 13 13 ARG H H 13 8.695 8.695 8.417 0.278 25483 3579 1 8 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.548 -0.387 25483 3580 1 8 . 1 1 14 14 PRO C C 14 177.642 177.642 176.397 1.245 25483 3581 1 8 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.366 -5.388 25483 3582 1 8 . 1 1 14 14 PRO CB C 14 30.197 30.197 32.742 -2.545 25483 3583 1 8 . 1 1 15 15 GLY N N 15 108.958 108.958 106.573 2.385 25483 3584 1 8 . 1 1 15 15 GLY C C 15 173.520 173.520 173.345 0.175 25483 3585 1 8 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.231 0.802 25483 3586 1 8 . 1 1 15 15 GLY H H 15 8.534 8.534 7.840 0.694 25483 3587 1 8 . 1 1 16 16 CYS N N 16 122.701 122.701 120.238 2.463 25483 3588 1 8 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.471 0.564 25483 3589 1 8 . 1 1 16 16 CYS C C 16 175.994 175.994 173.449 2.545 25483 3590 1 8 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.116 -3.898 25483 3591 1 8 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.431 4.283 25483 3592 1 8 . 1 1 16 16 CYS H H 16 7.476 7.476 8.378 -0.902 25483 3593 1 8 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.329 0.011 25483 3594 1 8 . 1 1 17 17 PRO C C 17 178.531 178.531 175.651 2.880 25483 3595 1 8 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.840 1.691 25483 3596 1 8 . 1 1 17 17 PRO CB C 17 32.140 32.140 31.899 0.241 25483 3597 1 8 . 1 1 18 18 TYR N N 18 121.799 121.799 119.507 2.292 25483 3598 1 8 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.762 -0.340 25483 3599 1 8 . 1 1 18 18 TYR C C 18 178.508 178.508 175.839 2.669 25483 3600 1 8 . 1 1 18 18 TYR CA C 18 61.076 61.076 56.937 4.139 25483 3601 1 8 . 1 1 18 18 TYR CB C 18 38.433 38.433 37.055 1.378 25483 3602 1 8 . 1 1 18 18 TYR H H 18 8.148 8.148 8.712 -0.564 25483 3603 1 8 . 1 1 19 19 CYS N N 19 122.966 122.966 118.552 4.414 25483 3604 1 8 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.689 -0.687 25483 3605 1 8 . 1 1 19 19 CYS C C 19 177.642 177.642 175.426 2.216 25483 3606 1 8 . 1 1 19 19 CYS CA C 19 64.471 64.471 55.946 8.525 25483 3607 1 8 . 1 1 19 19 CYS CB C 19 31.017 31.017 26.865 4.152 25483 3608 1 8 . 1 1 19 19 CYS H H 19 7.833 7.833 8.452 -0.619 25483 3609 1 8 . 1 1 20 20 ALA N N 20 121.738 121.738 125.064 -3.326 25483 3610 1 8 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.180 -0.030 25483 3611 1 8 . 1 1 20 20 ALA C C 20 180.531 180.531 179.319 1.212 25483 3612 1 8 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.463 1.121 25483 3613 1 8 . 1 1 20 20 ALA CB C 20 18.029 18.029 19.012 -0.983 25483 3614 1 8 . 1 1 20 20 ALA H H 20 7.080 7.080 7.569 -0.489 25483 3615 1 8 . 1 1 21 21 ARG N N 21 119.812 119.812 119.071 0.741 25483 3616 1 8 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.181 0.061 25483 3617 1 8 . 1 1 21 21 ARG CA C 21 57.925 57.925 58.979 -1.054 25483 3618 1 8 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.521 0.347 25483 3619 1 8 . 1 1 21 21 ARG H H 21 8.039 8.039 8.071 -0.032 25483 3620 1 8 . 1 1 22 22 ALA N N 22 124.459 124.459 121.789 2.670 25483 3621 1 8 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.858 0.282 25483 3622 1 8 . 1 1 22 22 ALA C C 22 178.267 178.267 179.609 -1.342 25483 3623 1 8 . 1 1 22 22 ALA CA C 22 55.671 55.671 55.037 0.634 25483 3624 1 8 . 1 1 22 22 ALA CB C 22 19.225 19.225 17.837 1.387 25483 3625 1 8 . 1 1 22 22 ALA H H 22 7.768 7.768 8.386 -0.618 25483 3626 1 8 . 1 1 23 23 LYS N N 23 116.014 116.014 117.264 -1.250 25483 3627 1 8 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.646 -0.345 25483 3628 1 8 . 1 1 23 23 LYS C C 23 177.995 177.995 178.521 -0.526 25483 3629 1 8 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.929 2.793 25483 3630 1 8 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.915 -0.265 25483 3631 1 8 . 1 1 23 23 LYS H H 23 7.984 7.984 7.456 0.528 25483 3632 1 8 . 1 1 24 24 ALA N N 24 120.042 120.042 122.987 -2.945 25483 3633 1 8 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.067 0.143 25483 3634 1 8 . 1 1 24 24 ALA C C 24 180.610 180.610 179.631 0.979 25483 3635 1 8 . 1 1 24 24 ALA CA C 24 54.865 54.865 55.015 -0.150 25483 3636 1 8 . 1 1 24 24 ALA CB C 24 17.936 17.936 17.989 -0.053 25483 3637 1 8 . 1 1 24 24 ALA H H 24 8.040 8.040 7.681 0.359 25483 3638 1 8 . 1 1 25 25 LEU N N 25 119.514 119.514 119.193 0.321 25483 3639 1 8 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.968 0.184 25483 3640 1 8 . 1 1 25 25 LEU C C 25 177.834 177.834 178.629 -0.795 25483 3641 1 8 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.996 -0.308 25483 3642 1 8 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.900 -1.165 25483 3643 1 8 . 1 1 25 25 LEU H H 25 7.150 7.150 7.306 -0.156 25483 3644 1 8 . 1 1 26 26 LEU N N 26 117.253 117.253 117.726 -0.473 25483 3645 1 8 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.922 -0.169 25483 3646 1 8 . 1 1 26 26 LEU C C 26 178.553 178.553 179.031 -0.478 25483 3647 1 8 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.798 0.677 25483 3648 1 8 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.313 -0.249 25483 3649 1 8 . 1 1 26 26 LEU H H 26 7.576 7.576 7.302 0.274 25483 3650 1 8 . 1 1 27 27 ALA N N 27 119.606 119.606 119.195 0.411 25483 3651 1 8 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.270 0.071 25483 3652 1 8 . 1 1 27 27 ALA C C 27 182.219 182.219 178.699 3.520 25483 3653 1 8 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.090 1.236 25483 3654 1 8 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.703 -0.595 25483 3655 1 8 . 1 1 27 27 ALA H H 27 8.629 8.629 8.109 0.520 25483 3656 1 8 . 1 1 28 28 ARG N N 28 121.081 121.081 120.021 1.060 25483 3657 1 8 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.198 -0.033 25483 3658 1 8 . 1 1 28 28 ARG C C 28 178.659 178.659 177.907 0.752 25483 3659 1 8 . 1 1 28 28 ARG CA C 28 59.181 59.181 57.968 1.214 25483 3660 1 8 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.957 -1.038 25483 3661 1 8 . 1 1 28 28 ARG H H 28 7.992 7.992 8.024 -0.032 25483 3662 1 8 . 1 1 29 29 LYS N N 29 115.790 115.790 116.552 -0.762 25483 3663 1 8 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.444 -0.210 25483 3664 1 8 . 1 1 29 29 LYS C C 29 176.666 176.666 176.593 0.073 25483 3665 1 8 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.574 -0.629 25483 3666 1 8 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.643 -1.202 25483 3667 1 8 . 1 1 29 29 LYS H H 29 7.663 7.663 7.656 0.007 25483 3668 1 8 . 1 1 30 30 GLY N N 30 107.767 107.767 108.583 -0.816 25483 3669 1 8 . 1 1 30 30 GLY C C 30 174.014 174.014 174.905 -0.891 25483 3670 1 8 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.749 -0.344 25483 3671 1 8 . 1 1 30 30 GLY H H 30 7.930 7.930 8.252 -0.322 25483 3672 1 8 . 1 1 31 31 ALA N N 31 122.192 122.192 121.640 0.552 25483 3673 1 8 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.156 0.347 25483 3674 1 8 . 1 1 31 31 ALA C C 31 176.691 176.691 176.679 0.012 25483 3675 1 8 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.453 -0.822 25483 3676 1 8 . 1 1 31 31 ALA CB C 31 19.938 19.938 19.961 -0.023 25483 3677 1 8 . 1 1 31 31 ALA H H 31 7.844 7.844 7.739 0.105 25483 3678 1 8 . 1 1 32 32 GLU N N 32 123.903 123.903 120.521 3.382 25483 3679 1 8 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.355 -0.120 25483 3680 1 8 . 1 1 32 32 GLU C C 32 176.080 176.080 174.946 1.134 25483 3681 1 8 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.759 -0.024 25483 3682 1 8 . 1 1 32 32 GLU CB C 32 29.777 29.777 30.204 -0.427 25483 3683 1 8 . 1 1 32 32 GLU H H 32 8.337 8.337 8.571 -0.234 25483 3684 1 8 . 1 1 33 33 PHE N N 33 116.634 116.634 121.933 -5.299 25483 3685 1 8 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.500 -0.268 25483 3686 1 8 . 1 1 33 33 PHE C C 33 173.397 173.397 174.323 -0.926 25483 3687 1 8 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.207 0.014 25483 3688 1 8 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.692 -0.184 25483 3689 1 8 . 1 1 33 33 PHE H H 33 7.640 7.640 7.555 0.085 25483 3690 1 8 . 1 1 34 34 ASN N N 34 120.133 120.133 119.699 0.434 25483 3691 1 8 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.923 0.048 25483 3692 1 8 . 1 1 34 34 ASN C C 34 173.199 173.199 174.262 -1.063 25483 3693 1 8 . 1 1 34 34 ASN CA C 34 52.180 52.180 51.951 0.229 25483 3694 1 8 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.244 -1.404 25483 3695 1 8 . 1 1 34 34 ASN H H 34 8.921 8.921 8.409 0.512 25483 3696 1 8 . 1 1 35 35 GLU N N 35 126.204 126.204 124.286 1.918 25483 3697 1 8 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.667 0.511 25483 3698 1 8 . 1 1 35 35 GLU C C 35 175.185 175.185 175.874 -0.689 25483 3699 1 8 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.709 -2.158 25483 3700 1 8 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.070 0.367 25483 3701 1 8 . 1 1 35 35 GLU H H 35 8.758 8.758 8.706 0.052 25483 3702 1 8 . 1 1 36 36 ILE N N 36 130.012 130.012 121.642 8.370 25483 3703 1 8 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.146 0.015 25483 3704 1 8 . 1 1 36 36 ILE C C 36 174.987 174.987 174.461 0.526 25483 3705 1 8 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.964 0.219 25483 3706 1 8 . 1 1 36 36 ILE CB C 36 40.273 40.273 40.560 -0.288 25483 3707 1 8 . 1 1 36 36 ILE H H 36 9.080 9.080 7.848 1.232 25483 3708 1 8 . 1 1 37 37 ASP N N 37 125.921 125.921 128.488 -2.567 25483 3709 1 8 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.619 0.383 25483 3710 1 8 . 1 1 37 37 ASP C C 37 176.847 176.847 175.472 1.375 25483 3711 1 8 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.299 -1.421 25483 3712 1 8 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.444 -1.154 25483 3713 1 8 . 1 1 37 37 ASP H H 37 8.515 8.515 8.551 -0.036 25483 3714 1 8 . 1 1 38 38 ALA N N 38 130.525 130.525 126.048 4.477 25483 3715 1 8 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.406 0.252 25483 3716 1 8 . 1 1 38 38 ALA C C 38 175.507 175.507 177.827 -2.320 25483 3717 1 8 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.503 0.417 25483 3718 1 8 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.462 0.149 25483 3719 1 8 . 1 1 38 38 ALA H H 38 8.845 8.845 7.975 0.870 25483 3720 1 8 . 1 1 39 39 SER N N 39 111.653 111.653 111.471 0.182 25483 3721 1 8 . 1 1 39 39 SER HA H 39 4.425 4.425 4.162 0.263 25483 3722 1 8 . 1 1 39 39 SER C C 39 176.988 176.988 174.267 2.721 25483 3723 1 8 . 1 1 39 39 SER CA C 39 59.504 59.504 59.363 0.141 25483 3724 1 8 . 1 1 39 39 SER CB C 39 64.768 64.768 62.410 2.358 25483 3725 1 8 . 1 1 39 39 SER H H 39 8.727 8.727 8.846 -0.119 25483 3726 1 8 . 1 1 40 40 ALA N N 40 124.164 124.164 121.851 2.313 25483 3727 1 8 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.505 -0.276 25483 3728 1 8 . 1 1 40 40 ALA C C 40 178.039 178.039 176.801 1.238 25483 3729 1 8 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.856 1.990 25483 3730 1 8 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.221 0.157 25483 3731 1 8 . 1 1 40 40 ALA H H 40 7.543 7.543 8.324 -0.781 25483 3732 1 8 . 1 1 41 41 THR N N 41 106.060 106.060 113.408 -7.348 25483 3733 1 8 . 1 1 41 41 THR HA H 41 5.006 5.006 4.812 0.194 25483 3734 1 8 . 1 1 41 41 THR C C 41 173.200 173.200 172.944 0.256 25483 3735 1 8 . 1 1 41 41 THR CA C 41 57.856 57.856 58.849 -0.993 25483 3736 1 8 . 1 1 41 41 THR CB C 41 70.541 70.541 70.476 0.065 25483 3737 1 8 . 1 1 41 41 THR H H 41 7.162 7.162 7.573 -0.411 25483 3738 1 8 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.503 -0.178 25483 3739 1 8 . 1 1 42 42 PRO C C 42 179.534 179.534 178.052 1.482 25483 3740 1 8 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.571 0.236 25483 3741 1 8 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.034 -0.293 25483 3742 1 8 . 1 1 43 43 GLU N N 43 118.723 118.723 118.356 0.367 25483 3743 1 8 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.248 -0.140 25483 3744 1 8 . 1 1 43 43 GLU C C 43 179.692 179.692 177.496 2.196 25483 3745 1 8 . 1 1 43 43 GLU CA C 43 60.721 60.721 57.587 3.134 25483 3746 1 8 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.039 -0.488 25483 3747 1 8 . 1 1 43 43 GLU H H 43 9.124 9.124 8.192 0.932 25483 3748 1 8 . 1 1 44 44 LEU N N 44 121.970 121.970 118.269 3.701 25483 3749 1 8 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.501 -0.161 25483 3750 1 8 . 1 1 44 44 LEU C C 44 178.924 178.924 178.460 0.464 25483 3751 1 8 . 1 1 44 44 LEU CA C 44 57.472 57.472 57.061 0.411 25483 3752 1 8 . 1 1 44 44 LEU CB C 44 42.432 42.432 42.558 -0.126 25483 3753 1 8 . 1 1 44 44 LEU H H 44 7.838 7.838 7.361 0.477 25483 3754 1 8 . 1 1 45 45 ARG N N 45 122.130 122.130 119.089 3.041 25483 3755 1 8 . 1 1 45 45 ARG HA H 45 4.093 4.093 4.041 0.052 25483 3756 1 8 . 1 1 45 45 ARG C C 45 178.955 178.955 178.321 0.634 25483 3757 1 8 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.298 0.826 25483 3758 1 8 . 1 1 45 45 ARG CB C 45 30.147 30.147 29.690 0.457 25483 3759 1 8 . 1 1 45 45 ARG H H 45 7.762 7.762 8.065 -0.303 25483 3760 1 8 . 1 1 46 46 ALA N N 46 121.165 121.165 120.455 0.710 25483 3761 1 8 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.499 -0.363 25483 3762 1 8 . 1 1 46 46 ALA C C 46 179.912 179.912 178.669 1.243 25483 3763 1 8 . 1 1 46 46 ALA CA C 46 54.945 54.945 53.738 1.207 25483 3764 1 8 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.601 -0.889 25483 3765 1 8 . 1 1 46 46 ALA H H 46 8.160 8.160 7.745 0.415 25483 3766 1 8 . 1 1 47 47 GLU N N 47 120.906 120.906 119.565 1.341 25483 3767 1 8 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.203 -0.150 25483 3768 1 8 . 1 1 47 47 GLU C C 47 178.039 178.039 178.673 -0.634 25483 3769 1 8 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.091 0.409 25483 3770 1 8 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.802 0.009 25483 3771 1 8 . 1 1 47 47 GLU H H 47 7.918 7.918 8.034 -0.116 25483 3772 1 8 . 1 1 48 48 MET N N 48 118.645 118.645 115.126 3.519 25483 3773 1 8 . 1 1 48 48 MET HA H 48 2.897 2.897 4.480 -1.583 25483 3774 1 8 . 1 1 48 48 MET C C 48 180.282 180.282 177.769 2.513 25483 3775 1 8 . 1 1 48 48 MET CA C 48 59.540 59.540 57.862 1.678 25483 3776 1 8 . 1 1 48 48 MET CB C 48 33.502 33.502 32.604 0.898 25483 3777 1 8 . 1 1 48 48 MET H H 48 8.047 8.047 7.549 0.498 25483 3778 1 8 . 1 1 49 49 GLN N N 49 122.104 122.104 119.624 2.480 25483 3779 1 8 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.076 0.263 25483 3780 1 8 . 1 1 49 49 GLN C C 49 178.780 178.780 177.209 1.571 25483 3781 1 8 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.077 0.667 25483 3782 1 8 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.200 0.039 25483 3783 1 8 . 1 1 49 49 GLN H H 49 8.237 8.237 7.707 0.530 25483 3784 1 8 . 1 1 50 50 GLU N N 50 121.947 121.947 119.314 2.633 25483 3785 1 8 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.224 -0.255 25483 3786 1 8 . 1 1 50 50 GLU C C 50 178.863 178.863 177.843 1.020 25483 3787 1 8 . 1 1 50 50 GLU CA C 50 59.131 59.131 57.710 1.421 25483 3788 1 8 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.742 -0.023 25483 3789 1 8 . 1 1 50 50 GLU H H 50 8.659 8.659 7.779 0.880 25483 3790 1 8 . 1 1 51 51 ARG N N 51 115.832 115.832 118.816 -2.984 25483 3791 1 8 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.418 -0.358 25483 3792 1 8 . 1 1 51 51 ARG C C 51 177.748 177.748 176.299 1.449 25483 3793 1 8 . 1 1 51 51 ARG CA C 51 58.480 58.480 54.812 3.668 25483 3794 1 8 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.145 1.013 25483 3795 1 8 . 1 1 51 51 ARG H H 51 8.231 8.231 7.797 0.434 25483 3796 1 8 . 1 1 52 52 SER N N 52 109.790 109.790 114.964 -5.174 25483 3797 1 8 . 1 1 52 52 SER HA H 52 3.759 3.759 4.306 -0.547 25483 3798 1 8 . 1 1 52 52 SER C C 52 174.149 174.149 174.533 -0.384 25483 3799 1 8 . 1 1 52 52 SER CA C 52 58.883 58.883 60.079 -1.196 25483 3800 1 8 . 1 1 52 52 SER CB C 52 66.744 66.744 63.371 3.373 25483 3801 1 8 . 1 1 52 52 SER H H 52 8.032 8.032 7.433 0.599 25483 3802 1 8 . 1 1 53 53 GLY N N 53 112.524 112.524 113.554 -1.030 25483 3803 1 8 . 1 1 53 53 GLY C C 53 173.690 173.690 174.507 -0.817 25483 3804 1 8 . 1 1 53 53 GLY CA C 53 46.093 46.093 45.925 0.168 25483 3805 1 8 . 1 1 53 53 GLY H H 53 8.239 8.239 8.532 -0.293 25483 3806 1 8 . 1 1 54 54 ARG N N 54 119.453 119.453 121.153 -1.700 25483 3807 1 8 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.309 0.344 25483 3808 1 8 . 1 1 54 54 ARG C C 54 174.144 174.144 176.185 -2.041 25483 3809 1 8 . 1 1 54 54 ARG CA C 54 54.660 54.660 55.920 -1.260 25483 3810 1 8 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.577 4.678 25483 3811 1 8 . 1 1 54 54 ARG H H 54 8.309 8.309 8.447 -0.138 25483 3812 1 8 . 1 1 55 55 ASN N N 55 112.521 112.521 112.382 0.139 25483 3813 1 8 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.376 0.317 25483 3814 1 8 . 1 1 55 55 ASN C C 55 175.197 175.197 174.576 0.621 25483 3815 1 8 . 1 1 55 55 ASN CA C 55 51.681 51.681 53.566 -1.885 25483 3816 1 8 . 1 1 55 55 ASN CB C 55 39.468 39.468 37.229 2.239 25483 3817 1 8 . 1 1 55 55 ASN H H 55 8.154 8.154 8.429 -0.275 25483 3818 1 8 . 1 1 56 56 THR N N 56 107.919 107.919 108.628 -0.709 25483 3819 1 8 . 1 1 56 56 THR HA H 56 4.356 4.356 4.124 0.232 25483 3820 1 8 . 1 1 56 56 THR C C 56 172.477 172.477 174.046 -1.569 25483 3821 1 8 . 1 1 56 56 THR CA C 56 59.438 59.438 63.355 -3.917 25483 3822 1 8 . 1 1 56 56 THR CB C 56 70.636 70.636 69.721 0.915 25483 3823 1 8 . 1 1 56 56 THR H H 56 6.778 6.778 7.410 -0.632 25483 3824 1 8 . 1 1 57 57 PHE N N 57 117.789 117.789 115.919 1.870 25483 3825 1 8 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.138 -0.413 25483 3826 1 8 . 1 1 57 57 PHE C C 57 174.241 174.241 173.643 0.598 25483 3827 1 8 . 1 1 57 57 PHE CA C 57 55.088 55.088 53.195 1.893 25483 3828 1 8 . 1 1 57 57 PHE CB C 57 43.506 43.506 39.420 4.086 25483 3829 1 8 . 1 1 57 57 PHE H H 57 8.469 8.469 6.821 1.648 25483 3830 1 8 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.515 1.098 25483 3831 1 8 . 1 1 58 58 PRO C C 58 177.062 177.062 176.256 0.806 25483 3832 1 8 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.699 0.483 25483 3833 1 8 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.061 3.400 25483 3834 1 8 . 1 1 59 59 GLN N N 59 112.113 112.113 116.227 -4.114 25483 3835 1 8 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.742 0.078 25483 3836 1 8 . 1 1 59 59 GLN C C 59 175.655 175.655 175.503 0.152 25483 3837 1 8 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.255 0.913 25483 3838 1 8 . 1 1 59 59 GLN CB C 59 31.479 31.479 31.047 0.432 25483 3839 1 8 . 1 1 59 59 GLN H H 59 8.041 8.041 8.143 -0.102 25483 3840 1 8 . 1 1 60 60 ILE N N 60 123.134 123.134 120.565 2.569 25483 3841 1 8 . 1 1 60 60 ILE HA H 60 4.958 4.958 5.012 -0.054 25483 3842 1 8 . 1 1 60 60 ILE C C 60 174.350 174.350 174.430 -0.080 25483 3843 1 8 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.266 1.908 25483 3844 1 8 . 1 1 60 60 ILE CB C 60 40.828 40.828 40.582 0.246 25483 3845 1 8 . 1 1 60 60 ILE H H 60 8.940 8.940 7.899 1.041 25483 3846 1 8 . 1 1 61 61 PHE N N 61 128.163 128.163 123.913 4.250 25483 3847 1 8 . 1 1 61 61 PHE HA H 61 5.393 5.393 5.253 0.141 25483 3848 1 8 . 1 1 61 61 PHE C C 61 174.659 174.659 174.999 -0.340 25483 3849 1 8 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.471 0.175 25483 3850 1 8 . 1 1 61 61 PHE CB C 61 41.735 41.735 41.908 -0.173 25483 3851 1 8 . 1 1 61 61 PHE H H 61 9.645 9.645 9.164 0.481 25483 3852 1 8 . 1 1 62 62 ILE N N 62 122.592 122.592 118.806 3.786 25483 3853 1 8 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.823 -0.193 25483 3854 1 8 . 1 1 62 62 ILE C C 62 175.360 175.360 176.737 -1.377 25483 3855 1 8 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.395 1.613 25483 3856 1 8 . 1 1 62 62 ILE CB C 62 39.569 39.569 39.534 0.035 25483 3857 1 8 . 1 1 62 62 ILE H H 62 9.066 9.066 7.883 1.183 25483 3858 1 8 . 1 1 63 63 GLY N N 63 116.263 116.263 117.528 -1.265 25483 3859 1 8 . 1 1 63 63 GLY C C 63 175.630 175.630 174.808 0.822 25483 3860 1 8 . 1 1 63 63 GLY CA C 63 47.253 47.253 45.887 1.366 25483 3861 1 8 . 1 1 63 63 GLY H H 63 9.307 9.307 8.745 0.562 25483 3862 1 8 . 1 1 64 64 SER N N 64 122.053 122.053 111.350 10.703 25483 3863 1 8 . 1 1 64 64 SER HA H 64 4.566 4.566 4.193 0.373 25483 3864 1 8 . 1 1 64 64 SER C C 64 173.891 173.891 173.894 -0.003 25483 3865 1 8 . 1 1 64 64 SER CA C 64 59.071 59.071 59.371 -0.300 25483 3866 1 8 . 1 1 64 64 SER CB C 64 63.895 63.895 62.743 1.152 25483 3867 1 8 . 1 1 64 64 SER H H 64 9.236 9.236 8.696 0.540 25483 3868 1 8 . 1 1 65 65 VAL N N 65 124.553 124.553 119.697 4.856 25483 3869 1 8 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.292 -0.215 25483 3870 1 8 . 1 1 65 65 VAL C C 65 175.294 175.294 174.741 0.553 25483 3871 1 8 . 1 1 65 65 VAL CA C 65 62.735 62.735 60.554 2.181 25483 3872 1 8 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.221 -1.143 25483 3873 1 8 . 1 1 65 65 VAL H H 65 8.494 8.494 7.521 0.973 25483 3874 1 8 . 1 1 66 66 HIS N N 66 102.561 102.561 123.983 -21.422 25483 3875 1 8 . 1 1 66 66 HIS HA H 66 4.362 4.362 3.902 0.460 25483 3876 1 8 . 1 1 66 66 HIS CA C 66 54.613 54.613 56.077 -1.464 25483 3877 1 8 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.392 0.549 25483 3878 1 8 . 1 1 66 66 HIS H H 66 8.966 8.966 8.484 0.482 25483 3879 1 8 . 1 1 67 67 VAL N N 67 130.151 130.151 125.587 4.564 25483 3880 1 8 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.281 -0.851 25483 3881 1 8 . 1 1 67 67 VAL C C 67 174.677 174.677 175.809 -1.132 25483 3882 1 8 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.920 3.109 25483 3883 1 8 . 1 1 67 67 VAL CB C 67 32.426 32.426 34.694 -2.268 25483 3884 1 8 . 1 1 67 67 VAL H H 67 8.214 8.214 7.485 0.729 25483 3885 1 8 . 1 1 68 68 GLY N N 68 102.768 102.768 113.611 -10.843 25483 3886 1 8 . 1 1 68 68 GLY C C 68 173.023 173.023 174.514 -1.491 25483 3887 1 8 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.094 -3.314 25483 3888 1 8 . 1 1 68 68 GLY H H 68 6.436 6.436 8.698 -2.262 25483 3889 1 8 . 1 1 69 69 GLY N N 69 110.061 110.061 106.708 3.353 25483 3890 1 8 . 1 1 69 69 GLY C C 69 175.375 175.375 174.884 0.491 25483 3891 1 8 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.726 -0.803 25483 3892 1 8 . 1 1 69 69 GLY H H 69 9.004 9.004 7.458 1.546 25483 3893 1 8 . 1 1 70 70 SER N N 70 113.592 113.592 117.518 -3.926 25483 3894 1 8 . 1 1 70 70 SER HA H 70 3.894 3.894 3.853 0.041 25483 3895 1 8 . 1 1 70 70 SER CA C 70 62.816 62.816 62.441 0.374 25483 3896 1 8 . 1 1 70 70 SER H H 70 8.088 8.088 8.696 -0.608 25483 3897 1 8 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.150 0.254 25483 3898 1 8 . 1 1 71 71 ASP C C 71 179.115 179.115 177.937 1.178 25483 3899 1 8 . 1 1 71 71 ASP CA C 71 57.610 57.610 56.855 0.755 25483 3900 1 8 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.445 -1.120 25483 3901 1 8 . 1 1 72 72 ASP N N 72 119.325 119.325 119.677 -0.352 25483 3902 1 8 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.528 -0.182 25483 3903 1 8 . 1 1 72 72 ASP C C 72 177.816 177.816 178.686 -0.870 25483 3904 1 8 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.576 0.637 25483 3905 1 8 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.982 0.427 25483 3906 1 8 . 1 1 72 72 ASP H H 72 7.232 7.232 7.696 -0.464 25483 3907 1 8 . 1 1 73 73 LEU N N 73 121.336 121.336 122.177 -0.841 25483 3908 1 8 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.789 -0.016 25483 3909 1 8 . 1 1 73 73 LEU C C 73 177.957 177.957 178.305 -0.348 25483 3910 1 8 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.384 -0.030 25483 3911 1 8 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.923 0.253 25483 3912 1 8 . 1 1 73 73 LEU H H 73 7.789 7.789 8.487 -0.698 25483 3913 1 8 . 1 1 74 74 TYR N N 74 116.570 116.570 117.416 -0.846 25483 3914 1 8 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.063 -0.314 25483 3915 1 8 . 1 1 74 74 TYR C C 74 178.275 178.275 177.698 0.577 25483 3916 1 8 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.320 1.378 25483 3917 1 8 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.668 -0.157 25483 3918 1 8 . 1 1 74 74 TYR H H 74 8.318 8.318 8.362 -0.044 25483 3919 1 8 . 1 1 75 75 ALA N N 75 122.593 122.593 121.958 0.635 25483 3920 1 8 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.965 0.290 25483 3921 1 8 . 1 1 75 75 ALA C C 75 180.162 180.162 179.258 0.904 25483 3922 1 8 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.087 0.516 25483 3923 1 8 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.162 -0.533 25483 3924 1 8 . 1 1 75 75 ALA H H 75 8.082 8.082 7.501 0.581 25483 3925 1 8 . 1 1 76 76 LEU N N 76 116.647 116.647 117.795 -1.148 25483 3926 1 8 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.905 0.150 25483 3927 1 8 . 1 1 76 76 LEU C C 76 179.538 179.538 179.017 0.521 25483 3928 1 8 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.711 0.145 25483 3929 1 8 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.321 1.356 25483 3930 1 8 . 1 1 76 76 LEU H H 76 7.389 7.389 7.991 -0.602 25483 3931 1 8 . 1 1 77 77 GLU N N 77 121.342 121.342 118.734 2.608 25483 3932 1 8 . 1 1 77 77 GLU HA H 77 4.597 4.597 4.019 0.578 25483 3933 1 8 . 1 1 77 77 GLU C C 77 179.674 179.674 178.463 1.211 25483 3934 1 8 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.400 -1.369 25483 3935 1 8 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.023 -0.906 25483 3936 1 8 . 1 1 77 77 GLU H H 77 7.461 7.461 8.034 -0.573 25483 3937 1 8 . 1 1 78 78 ASP N N 78 123.339 123.339 118.851 4.488 25483 3938 1 8 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.476 -0.025 25483 3939 1 8 . 1 1 78 78 ASP C C 78 178.412 178.412 178.149 0.263 25483 3940 1 8 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.769 0.701 25483 3941 1 8 . 1 1 78 78 ASP CB C 78 40.544 40.544 41.038 -0.494 25483 3942 1 8 . 1 1 78 78 ASP H H 78 8.650 8.650 7.595 1.055 25483 3943 1 8 . 1 1 79 79 GLU N N 79 115.360 115.360 117.560 -2.200 25483 3944 1 8 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.153 0.179 25483 3945 1 8 . 1 1 79 79 GLU C C 79 176.861 176.861 177.864 -1.003 25483 3946 1 8 . 1 1 79 79 GLU CA C 79 56.315 56.315 56.958 -0.643 25483 3947 1 8 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.209 0.492 25483 3948 1 8 . 1 1 79 79 GLU H H 79 7.791 7.791 7.991 -0.200 25483 3949 1 8 . 1 1 80 80 GLY N N 80 108.851 108.851 107.524 1.327 25483 3950 1 8 . 1 1 80 80 GLY C C 80 176.085 176.085 174.223 1.862 25483 3951 1 8 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.003 1.238 25483 3952 1 8 . 1 1 80 80 GLY H H 80 8.078 8.078 8.284 -0.206 25483 3953 1 8 . 1 1 81 81 LYS N N 81 116.858 116.858 118.575 -1.717 25483 3954 1 8 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.661 -0.216 25483 3955 1 8 . 1 1 81 81 LYS C C 81 176.789 176.789 176.399 0.390 25483 3956 1 8 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.176 1.392 25483 3957 1 8 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.138 2.866 25483 3958 1 8 . 1 1 81 81 LYS H H 81 8.216 8.216 8.244 -0.028 25483 3959 1 8 . 1 1 82 82 LEU N N 82 122.543 122.543 119.052 3.491 25483 3960 1 8 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.126 -0.085 25483 3961 1 8 . 1 1 82 82 LEU C C 82 177.466 177.466 177.518 -0.052 25483 3962 1 8 . 1 1 82 82 LEU CA C 82 57.497 57.497 58.359 -0.862 25483 3963 1 8 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.301 -0.812 25483 3964 1 8 . 1 1 82 82 LEU H H 82 7.516 7.516 7.805 -0.289 25483 3965 1 8 . 1 1 83 83 ASP N N 83 119.643 119.643 119.525 0.118 25483 3966 1 8 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.315 -0.009 25483 3967 1 8 . 1 1 83 83 ASP C C 83 178.744 178.744 178.012 0.732 25483 3968 1 8 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.209 1.529 25483 3969 1 8 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.281 -0.327 25483 3970 1 8 . 1 1 83 83 ASP H H 83 8.662 8.662 8.654 0.008 25483 3971 1 8 . 1 1 84 84 SER N N 84 113.208 113.208 114.806 -1.598 25483 3972 1 8 . 1 1 84 84 SER HA H 84 4.266 4.266 4.231 0.035 25483 3973 1 8 . 1 1 84 84 SER C C 84 177.581 177.581 176.634 0.947 25483 3974 1 8 . 1 1 84 84 SER CA C 84 61.483 61.483 61.365 0.118 25483 3975 1 8 . 1 1 84 84 SER CB C 84 62.667 62.667 62.670 -0.003 25483 3976 1 8 . 1 1 84 84 SER H H 84 8.425 8.425 8.431 -0.006 25483 3977 1 8 . 1 1 85 85 LEU N N 85 126.393 126.393 122.903 3.490 25483 3978 1 8 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.182 0.173 25483 3979 1 8 . 1 1 85 85 LEU C C 85 178.692 178.692 177.469 1.223 25483 3980 1 8 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.057 0.352 25483 3981 1 8 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.257 -0.742 25483 3982 1 8 . 1 1 85 85 LEU H H 85 7.577 7.577 7.220 0.357 25483 3983 1 8 . 1 1 86 86 LEU N N 86 117.833 117.833 112.783 5.050 25483 3984 1 8 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.333 -0.450 25483 3985 1 8 . 1 1 86 86 LEU C C 86 177.470 177.470 178.255 -0.785 25483 3986 1 8 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.363 1.418 25483 3987 1 8 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.677 0.125 25483 3988 1 8 . 1 1 86 86 LEU H H 86 8.406 8.406 8.144 0.262 25483 3989 1 8 . 1 1 87 87 LYS N N 87 113.997 113.997 116.459 -2.462 25483 3990 1 8 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.326 0.063 25483 3991 1 8 . 1 1 87 87 LYS C C 87 178.282 178.282 177.021 1.261 25483 3992 1 8 . 1 1 87 87 LYS CA C 87 58.334 58.334 57.732 0.602 25483 3993 1 8 . 1 1 87 87 LYS CB C 87 33.913 33.913 34.082 -0.169 25483 3994 1 8 . 1 1 87 87 LYS H H 87 7.548 7.548 7.799 -0.251 25483 3995 1 8 . 1 1 88 88 THR N N 88 106.050 106.050 106.568 -0.518 25483 3996 1 8 . 1 1 88 88 THR HA H 88 4.545 4.545 4.457 0.088 25483 3997 1 8 . 1 1 88 88 THR C C 88 176.566 176.566 174.397 2.169 25483 3998 1 8 . 1 1 88 88 THR CA C 88 62.396 62.396 62.568 -0.172 25483 3999 1 8 . 1 1 88 88 THR CB C 88 72.438 72.438 72.100 0.338 25483 4000 1 8 . 1 1 88 88 THR H H 88 8.178 8.178 7.823 0.355 25483 4001 1 8 . 1 1 89 89 GLY N N 89 112.811 112.811 112.651 0.160 25483 4002 1 8 . 1 1 89 89 GLY C C 89 171.985 171.985 172.718 -0.733 25483 4003 1 8 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.270 1.546 25483 4004 1 8 . 1 1 89 89 GLY H H 89 9.153 9.153 8.236 0.917 25483 4005 1 8 . 1 1 90 90 LYS N N 90 117.650 117.650 123.240 -5.590 25483 4006 1 8 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.592 -0.082 25483 4007 1 8 . 1 1 90 90 LYS C C 90 174.330 174.330 174.545 -0.215 25483 4008 1 8 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.679 -0.070 25483 4009 1 8 . 1 1 90 90 LYS CB C 90 35.701 35.701 34.900 0.801 25483 4010 1 8 . 1 1 90 90 LYS H H 90 7.940 7.940 8.016 -0.076 25483 4011 1 8 . 1 1 91 91 LEU N N 91 123.149 123.149 117.201 5.948 25483 4012 1 8 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.579 -0.110 25483 4013 1 8 . 1 1 91 91 LEU C C 91 175.848 175.848 176.878 -1.030 25483 4014 1 8 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.011 -0.411 25483 4015 1 8 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.230 0.781 25483 4016 1 8 . 1 1 91 91 LEU H H 91 8.501 8.501 8.128 0.373 25483 4017 1 9 . 1 1 3 3 GLY N N 3 110.312 110.312 108.228 2.084 25483 4018 1 9 . 1 1 3 3 GLY C C 3 174.169 174.169 174.316 -0.147 25483 4019 1 9 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.354 1.121 25483 4020 1 9 . 1 1 3 3 GLY H H 3 8.679 8.679 8.295 0.384 25483 4021 1 9 . 1 1 4 4 SER N N 4 115.617 115.617 118.281 -2.664 25483 4022 1 9 . 1 1 4 4 SER HA H 4 4.499 4.499 4.708 -0.209 25483 4023 1 9 . 1 1 4 4 SER C C 4 174.408 174.408 173.858 0.550 25483 4024 1 9 . 1 1 4 4 SER CA C 4 58.541 58.541 58.573 -0.032 25483 4025 1 9 . 1 1 4 4 SER CB C 4 63.920 63.920 62.928 0.992 25483 4026 1 9 . 1 1 4 4 SER H H 4 8.237 8.237 8.377 -0.140 25483 4027 1 9 . 1 1 5 5 MET N N 5 121.390 121.390 119.557 1.833 25483 4028 1 9 . 1 1 5 5 MET HA H 5 4.702 4.702 4.976 -0.274 25483 4029 1 9 . 1 1 5 5 MET C C 5 176.122 176.122 174.256 1.866 25483 4030 1 9 . 1 1 5 5 MET CA C 5 55.600 55.600 54.738 0.862 25483 4031 1 9 . 1 1 5 5 MET CB C 5 34.357 34.357 34.408 -0.051 25483 4032 1 9 . 1 1 5 5 MET H H 5 8.309 8.309 8.286 0.023 25483 4033 1 9 . 1 1 6 6 VAL N N 6 117.990 117.990 116.394 1.596 25483 4034 1 9 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.367 -0.166 25483 4035 1 9 . 1 1 6 6 VAL C C 6 174.450 174.450 174.700 -0.250 25483 4036 1 9 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.677 0.741 25483 4037 1 9 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.718 -0.133 25483 4038 1 9 . 1 1 6 6 VAL H H 6 8.175 8.175 8.289 -0.114 25483 4039 1 9 . 1 1 7 7 ASP N N 7 121.785 121.785 119.038 2.747 25483 4040 1 9 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.760 -0.192 25483 4041 1 9 . 1 1 7 7 ASP C C 7 175.866 175.866 175.241 0.625 25483 4042 1 9 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.141 2.027 25483 4043 1 9 . 1 1 7 7 ASP CB C 7 41.599 41.599 42.393 -0.794 25483 4044 1 9 . 1 1 7 7 ASP H H 7 8.332 8.332 8.166 0.166 25483 4045 1 9 . 1 1 8 8 VAL N N 8 124.023 124.023 122.327 1.696 25483 4046 1 9 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.495 0.503 25483 4047 1 9 . 1 1 8 8 VAL C C 8 174.859 174.859 175.850 -0.991 25483 4048 1 9 . 1 1 8 8 VAL CA C 8 61.461 61.461 61.914 -0.453 25483 4049 1 9 . 1 1 8 8 VAL CB C 8 33.321 33.321 33.371 -0.050 25483 4050 1 9 . 1 1 8 8 VAL H H 8 8.658 8.658 8.557 0.101 25483 4051 1 9 . 1 1 9 9 ILE N N 9 129.744 129.744 126.225 3.519 25483 4052 1 9 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.638 0.373 25483 4053 1 9 . 1 1 9 9 ILE C C 9 174.323 174.323 174.263 0.060 25483 4054 1 9 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.628 -0.931 25483 4055 1 9 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.761 -1.482 25483 4056 1 9 . 1 1 9 9 ILE H H 9 9.306 9.306 8.126 1.180 25483 4057 1 9 . 1 1 10 10 ILE N N 10 123.657 123.657 122.891 0.766 25483 4058 1 9 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.151 0.248 25483 4059 1 9 . 1 1 10 10 ILE C C 10 173.066 173.066 173.929 -0.863 25483 4060 1 9 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.814 -0.325 25483 4061 1 9 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.663 -0.865 25483 4062 1 9 . 1 1 10 10 ILE H H 10 8.734 8.734 8.961 -0.227 25483 4063 1 9 . 1 1 11 11 TYR N N 11 128.973 128.973 128.222 0.751 25483 4064 1 9 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.873 0.814 25483 4065 1 9 . 1 1 11 11 TYR C C 11 176.756 176.756 174.629 2.127 25483 4066 1 9 . 1 1 11 11 TYR CA C 11 57.408 57.408 57.435 -0.028 25483 4067 1 9 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.101 2.183 25483 4068 1 9 . 1 1 11 11 TYR H H 11 9.292 9.292 8.839 0.453 25483 4069 1 9 . 1 1 12 12 THR N N 12 112.725 112.725 116.743 -4.018 25483 4070 1 9 . 1 1 12 12 THR HA H 12 5.732 5.732 4.567 1.165 25483 4071 1 9 . 1 1 12 12 THR C C 12 172.866 172.866 173.594 -0.728 25483 4072 1 9 . 1 1 12 12 THR CA C 12 59.671 59.671 61.069 -1.397 25483 4073 1 9 . 1 1 12 12 THR CB C 12 72.735 72.735 71.106 1.629 25483 4074 1 9 . 1 1 12 12 THR H H 12 9.253 9.253 8.098 1.155 25483 4075 1 9 . 1 1 13 13 ARG N N 13 116.857 116.857 124.518 -7.661 25483 4076 1 9 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.320 0.465 25483 4077 1 9 . 1 1 13 13 ARG C C 13 173.407 173.407 175.262 -1.855 25483 4078 1 9 . 1 1 13 13 ARG CA C 13 53.254 53.254 56.039 -2.785 25483 4079 1 9 . 1 1 13 13 ARG CB C 13 31.597 31.597 29.495 2.102 25483 4080 1 9 . 1 1 13 13 ARG H H 13 8.695 8.695 8.380 0.315 25483 4081 1 9 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.299 -0.138 25483 4082 1 9 . 1 1 14 14 PRO C C 14 177.642 177.642 176.932 0.710 25483 4083 1 9 . 1 1 14 14 PRO CA C 14 57.978 57.978 62.831 -4.853 25483 4084 1 9 . 1 1 14 14 PRO CB C 14 30.197 30.197 30.531 -0.334 25483 4085 1 9 . 1 1 15 15 GLY N N 15 108.958 108.958 112.410 -3.452 25483 4086 1 9 . 1 1 15 15 GLY C C 15 173.520 173.520 173.678 -0.158 25483 4087 1 9 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.484 0.549 25483 4088 1 9 . 1 1 15 15 GLY H H 15 8.534 8.534 8.448 0.086 25483 4089 1 9 . 1 1 16 16 CYS N N 16 122.701 122.701 119.959 2.742 25483 4090 1 9 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.443 0.592 25483 4091 1 9 . 1 1 16 16 CYS C C 16 175.994 175.994 173.507 2.487 25483 4092 1 9 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.651 -4.433 25483 4093 1 9 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.416 4.298 25483 4094 1 9 . 1 1 16 16 CYS H H 16 7.476 7.476 8.460 -0.984 25483 4095 1 9 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.223 0.117 25483 4096 1 9 . 1 1 17 17 PRO C C 17 178.531 178.531 175.875 2.656 25483 4097 1 9 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.407 2.124 25483 4098 1 9 . 1 1 17 17 PRO CB C 17 32.140 32.140 31.963 0.177 25483 4099 1 9 . 1 1 18 18 TYR N N 18 121.799 121.799 119.397 2.402 25483 4100 1 9 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.725 -0.303 25483 4101 1 9 . 1 1 18 18 TYR C C 18 178.508 178.508 175.960 2.548 25483 4102 1 9 . 1 1 18 18 TYR CA C 18 61.076 61.076 56.693 4.383 25483 4103 1 9 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.941 1.492 25483 4104 1 9 . 1 1 18 18 TYR H H 18 8.148 8.148 8.601 -0.453 25483 4105 1 9 . 1 1 19 19 CYS N N 19 122.966 122.966 119.070 3.896 25483 4106 1 9 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.606 -0.604 25483 4107 1 9 . 1 1 19 19 CYS C C 19 177.642 177.642 175.701 1.941 25483 4108 1 9 . 1 1 19 19 CYS CA C 19 64.471 64.471 56.139 8.332 25483 4109 1 9 . 1 1 19 19 CYS CB C 19 31.017 31.017 26.510 4.507 25483 4110 1 9 . 1 1 19 19 CYS H H 19 7.833 7.833 7.863 -0.030 25483 4111 1 9 . 1 1 20 20 ALA N N 20 121.738 121.738 125.097 -3.359 25483 4112 1 9 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.239 -0.089 25483 4113 1 9 . 1 1 20 20 ALA C C 20 180.531 180.531 179.388 1.143 25483 4114 1 9 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.398 1.186 25483 4115 1 9 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.951 -0.922 25483 4116 1 9 . 1 1 20 20 ALA H H 20 7.080 7.080 8.404 -1.324 25483 4117 1 9 . 1 1 21 21 ARG N N 21 119.812 119.812 118.935 0.877 25483 4118 1 9 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.133 0.109 25483 4119 1 9 . 1 1 21 21 ARG CA C 21 57.925 57.925 58.820 -0.895 25483 4120 1 9 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.541 0.327 25483 4121 1 9 . 1 1 21 21 ARG H H 21 8.039 8.039 8.031 0.008 25483 4122 1 9 . 1 1 22 22 ALA N N 22 124.459 124.459 121.162 3.297 25483 4123 1 9 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.910 0.230 25483 4124 1 9 . 1 1 22 22 ALA C C 22 178.267 178.267 179.653 -1.386 25483 4125 1 9 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.939 0.732 25483 4126 1 9 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.036 1.189 25483 4127 1 9 . 1 1 22 22 ALA H H 22 7.768 7.768 8.447 -0.679 25483 4128 1 9 . 1 1 23 23 LYS N N 23 116.014 116.014 116.749 -0.735 25483 4129 1 9 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.765 -0.464 25483 4130 1 9 . 1 1 23 23 LYS C C 23 177.995 177.995 178.495 -0.500 25483 4131 1 9 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.619 3.103 25483 4132 1 9 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.837 -0.187 25483 4133 1 9 . 1 1 23 23 LYS H H 23 7.984 7.984 7.493 0.491 25483 4134 1 9 . 1 1 24 24 ALA N N 24 120.042 120.042 122.944 -2.902 25483 4135 1 9 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.107 0.103 25483 4136 1 9 . 1 1 24 24 ALA C C 24 180.610 180.610 179.743 0.867 25483 4137 1 9 . 1 1 24 24 ALA CA C 24 54.865 54.865 55.030 -0.165 25483 4138 1 9 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.025 -0.089 25483 4139 1 9 . 1 1 24 24 ALA H H 24 8.040 8.040 7.801 0.239 25483 4140 1 9 . 1 1 25 25 LEU N N 25 119.514 119.514 118.788 0.726 25483 4141 1 9 . 1 1 25 25 LEU HA H 25 4.152 4.152 4.077 0.075 25483 4142 1 9 . 1 1 25 25 LEU C C 25 177.834 177.834 178.533 -0.699 25483 4143 1 9 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.772 -0.084 25483 4144 1 9 . 1 1 25 25 LEU CB C 25 40.735 40.735 42.008 -1.273 25483 4145 1 9 . 1 1 25 25 LEU H H 25 7.150 7.150 7.336 -0.186 25483 4146 1 9 . 1 1 26 26 LEU N N 26 117.253 117.253 118.229 -0.976 25483 4147 1 9 . 1 1 26 26 LEU HA H 26 3.753 3.753 4.013 -0.260 25483 4148 1 9 . 1 1 26 26 LEU C C 26 178.553 178.553 179.050 -0.497 25483 4149 1 9 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.744 0.731 25483 4150 1 9 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.496 -0.432 25483 4151 1 9 . 1 1 26 26 LEU H H 26 7.576 7.576 7.359 0.217 25483 4152 1 9 . 1 1 27 27 ALA N N 27 119.606 119.606 119.224 0.382 25483 4153 1 9 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.276 0.065 25483 4154 1 9 . 1 1 27 27 ALA C C 27 182.219 182.219 178.578 3.641 25483 4155 1 9 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.080 1.246 25483 4156 1 9 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.690 -0.582 25483 4157 1 9 . 1 1 27 27 ALA H H 27 8.629 8.629 8.261 0.368 25483 4158 1 9 . 1 1 28 28 ARG N N 28 121.081 121.081 119.797 1.284 25483 4159 1 9 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.212 -0.047 25483 4160 1 9 . 1 1 28 28 ARG C C 28 178.659 178.659 177.772 0.887 25483 4161 1 9 . 1 1 28 28 ARG CA C 28 59.181 59.181 57.875 1.306 25483 4162 1 9 . 1 1 28 28 ARG CB C 28 29.920 29.920 31.006 -1.086 25483 4163 1 9 . 1 1 28 28 ARG H H 28 7.992 7.992 7.793 0.199 25483 4164 1 9 . 1 1 29 29 LYS N N 29 115.790 115.790 116.693 -0.903 25483 4165 1 9 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.437 -0.203 25483 4166 1 9 . 1 1 29 29 LYS C C 29 176.666 176.666 176.368 0.298 25483 4167 1 9 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.547 -0.602 25483 4168 1 9 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.705 -1.264 25483 4169 1 9 . 1 1 29 29 LYS H H 29 7.663 7.663 7.620 0.043 25483 4170 1 9 . 1 1 30 30 GLY N N 30 107.767 107.767 108.478 -0.711 25483 4171 1 9 . 1 1 30 30 GLY C C 30 174.014 174.014 174.838 -0.824 25483 4172 1 9 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.684 -0.279 25483 4173 1 9 . 1 1 30 30 GLY H H 30 7.930 7.930 8.256 -0.326 25483 4174 1 9 . 1 1 31 31 ALA N N 31 122.192 122.192 120.581 1.611 25483 4175 1 9 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.221 0.282 25483 4176 1 9 . 1 1 31 31 ALA C C 31 176.691 176.691 177.202 -0.511 25483 4177 1 9 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.730 -1.099 25483 4178 1 9 . 1 1 31 31 ALA CB C 31 19.938 19.938 19.768 0.170 25483 4179 1 9 . 1 1 31 31 ALA H H 31 7.844 7.844 7.573 0.271 25483 4180 1 9 . 1 1 32 32 GLU N N 32 123.903 123.903 121.720 2.183 25483 4181 1 9 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.041 0.194 25483 4182 1 9 . 1 1 32 32 GLU C C 32 176.080 176.080 175.389 0.691 25483 4183 1 9 . 1 1 32 32 GLU CA C 32 55.735 55.735 56.527 -0.792 25483 4184 1 9 . 1 1 32 32 GLU CB C 32 29.777 29.777 30.560 -0.783 25483 4185 1 9 . 1 1 32 32 GLU H H 32 8.337 8.337 8.411 -0.074 25483 4186 1 9 . 1 1 33 33 PHE N N 33 116.634 116.634 118.299 -1.665 25483 4187 1 9 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.058 0.174 25483 4188 1 9 . 1 1 33 33 PHE C C 33 173.397 173.397 173.232 0.165 25483 4189 1 9 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.985 -0.764 25483 4190 1 9 . 1 1 33 33 PHE CB C 33 41.508 41.508 40.882 0.626 25483 4191 1 9 . 1 1 33 33 PHE H H 33 7.640 7.640 7.470 0.170 25483 4192 1 9 . 1 1 34 34 ASN N N 34 120.133 120.133 119.465 0.668 25483 4193 1 9 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.927 0.044 25483 4194 1 9 . 1 1 34 34 ASN C C 34 173.199 173.199 174.267 -1.068 25483 4195 1 9 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.428 -0.248 25483 4196 1 9 . 1 1 34 34 ASN CB C 34 39.840 39.840 40.371 -0.531 25483 4197 1 9 . 1 1 34 34 ASN H H 34 8.921 8.921 8.572 0.349 25483 4198 1 9 . 1 1 35 35 GLU N N 35 126.204 126.204 124.772 1.432 25483 4199 1 9 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.854 0.324 25483 4200 1 9 . 1 1 35 35 GLU C C 35 175.185 175.185 175.862 -0.677 25483 4201 1 9 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.503 -1.952 25483 4202 1 9 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.219 0.218 25483 4203 1 9 . 1 1 35 35 GLU H H 35 8.758 8.758 8.721 0.037 25483 4204 1 9 . 1 1 36 36 ILE N N 36 130.012 130.012 120.842 9.170 25483 4205 1 9 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.234 -0.073 25483 4206 1 9 . 1 1 36 36 ILE C C 36 174.987 174.987 174.680 0.307 25483 4207 1 9 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.946 0.237 25483 4208 1 9 . 1 1 36 36 ILE CB C 36 40.273 40.273 40.811 -0.538 25483 4209 1 9 . 1 1 36 36 ILE H H 36 9.080 9.080 7.855 1.225 25483 4210 1 9 . 1 1 37 37 ASP N N 37 125.921 125.921 126.846 -0.925 25483 4211 1 9 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.672 0.330 25483 4212 1 9 . 1 1 37 37 ASP C C 37 176.847 176.847 175.577 1.270 25483 4213 1 9 . 1 1 37 37 ASP CA C 37 52.878 52.878 52.905 -0.027 25483 4214 1 9 . 1 1 37 37 ASP CB C 37 39.290 39.290 39.789 -0.499 25483 4215 1 9 . 1 1 37 37 ASP H H 37 8.515 8.515 8.569 -0.054 25483 4216 1 9 . 1 1 38 38 ALA N N 38 130.525 130.525 125.690 4.835 25483 4217 1 9 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.248 0.410 25483 4218 1 9 . 1 1 38 38 ALA C C 38 175.507 175.507 178.059 -2.552 25483 4219 1 9 . 1 1 38 38 ALA CA C 38 51.920 51.920 52.410 -0.490 25483 4220 1 9 . 1 1 38 38 ALA CB C 38 20.612 20.612 19.866 0.746 25483 4221 1 9 . 1 1 38 38 ALA H H 38 8.845 8.845 7.628 1.217 25483 4222 1 9 . 1 1 39 39 SER N N 39 111.653 111.653 111.493 0.160 25483 4223 1 9 . 1 1 39 39 SER HA H 39 4.425 4.425 4.127 0.298 25483 4224 1 9 . 1 1 39 39 SER C C 39 176.988 176.988 174.612 2.376 25483 4225 1 9 . 1 1 39 39 SER CA C 39 59.504 59.504 59.251 0.254 25483 4226 1 9 . 1 1 39 39 SER CB C 39 64.768 64.768 62.608 2.160 25483 4227 1 9 . 1 1 39 39 SER H H 39 8.727 8.727 8.970 -0.243 25483 4228 1 9 . 1 1 40 40 ALA N N 40 124.164 124.164 120.682 3.482 25483 4229 1 9 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.531 -0.302 25483 4230 1 9 . 1 1 40 40 ALA C C 40 178.039 178.039 177.410 0.629 25483 4231 1 9 . 1 1 40 40 ALA CA C 40 54.847 54.847 53.119 1.728 25483 4232 1 9 . 1 1 40 40 ALA CB C 40 20.378 20.378 19.814 0.564 25483 4233 1 9 . 1 1 40 40 ALA H H 40 7.543 7.543 8.286 -0.743 25483 4234 1 9 . 1 1 41 41 THR N N 41 106.060 106.060 111.064 -5.004 25483 4235 1 9 . 1 1 41 41 THR HA H 41 5.006 5.006 4.638 0.368 25483 4236 1 9 . 1 1 41 41 THR C C 41 173.200 173.200 172.281 0.919 25483 4237 1 9 . 1 1 41 41 THR CA C 41 57.856 57.856 59.393 -1.537 25483 4238 1 9 . 1 1 41 41 THR CB C 41 70.541 70.541 69.712 0.829 25483 4239 1 9 . 1 1 41 41 THR H H 41 7.162 7.162 7.634 -0.472 25483 4240 1 9 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.535 -0.210 25483 4241 1 9 . 1 1 42 42 PRO C C 42 179.534 179.534 177.915 1.619 25483 4242 1 9 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.495 0.312 25483 4243 1 9 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.115 -0.374 25483 4244 1 9 . 1 1 43 43 GLU N N 43 118.723 118.723 119.673 -0.950 25483 4245 1 9 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.209 -0.101 25483 4246 1 9 . 1 1 43 43 GLU C C 43 179.692 179.692 178.681 1.011 25483 4247 1 9 . 1 1 43 43 GLU CA C 43 60.721 60.721 58.985 1.736 25483 4248 1 9 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.354 -0.803 25483 4249 1 9 . 1 1 43 43 GLU H H 43 9.124 9.124 8.479 0.645 25483 4250 1 9 . 1 1 44 44 LEU N N 44 121.970 121.970 119.909 2.061 25483 4251 1 9 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.340 0.000 25483 4252 1 9 . 1 1 44 44 LEU C C 44 178.924 178.924 178.961 -0.037 25483 4253 1 9 . 1 1 44 44 LEU CA C 44 57.472 57.472 57.476 -0.004 25483 4254 1 9 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.421 1.011 25483 4255 1 9 . 1 1 44 44 LEU H H 44 7.838 7.838 7.542 0.296 25483 4256 1 9 . 1 1 45 45 ARG N N 45 122.130 122.130 119.010 3.120 25483 4257 1 9 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.991 0.102 25483 4258 1 9 . 1 1 45 45 ARG C C 45 178.955 178.955 178.277 0.678 25483 4259 1 9 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.342 0.782 25483 4260 1 9 . 1 1 45 45 ARG CB C 45 30.147 30.147 29.267 0.880 25483 4261 1 9 . 1 1 45 45 ARG H H 45 7.762 7.762 7.799 -0.037 25483 4262 1 9 . 1 1 46 46 ALA N N 46 121.165 121.165 121.382 -0.217 25483 4263 1 9 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.113 0.023 25483 4264 1 9 . 1 1 46 46 ALA C C 46 179.912 179.912 179.431 0.481 25483 4265 1 9 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.701 0.244 25483 4266 1 9 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.059 -0.347 25483 4267 1 9 . 1 1 46 46 ALA H H 46 8.160 8.160 7.920 0.240 25483 4268 1 9 . 1 1 47 47 GLU N N 47 120.906 120.906 119.115 1.791 25483 4269 1 9 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.134 -0.081 25483 4270 1 9 . 1 1 47 47 GLU C C 47 178.039 178.039 179.160 -1.121 25483 4271 1 9 . 1 1 47 47 GLU CA C 47 59.500 59.500 58.833 0.667 25483 4272 1 9 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.693 0.118 25483 4273 1 9 . 1 1 47 47 GLU H H 47 7.918 7.918 8.036 -0.118 25483 4274 1 9 . 1 1 48 48 MET N N 48 118.645 118.645 120.098 -1.453 25483 4275 1 9 . 1 1 48 48 MET HA H 48 2.897 2.897 4.275 -1.378 25483 4276 1 9 . 1 1 48 48 MET C C 48 180.282 180.282 178.062 2.220 25483 4277 1 9 . 1 1 48 48 MET CA C 48 59.540 59.540 56.886 2.654 25483 4278 1 9 . 1 1 48 48 MET CB C 48 33.502 33.502 32.486 1.016 25483 4279 1 9 . 1 1 48 48 MET H H 48 8.047 8.047 7.745 0.302 25483 4280 1 9 . 1 1 49 49 GLN N N 49 122.104 122.104 119.142 2.962 25483 4281 1 9 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.110 0.229 25483 4282 1 9 . 1 1 49 49 GLN C C 49 178.780 178.780 177.411 1.369 25483 4283 1 9 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.397 0.347 25483 4284 1 9 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.140 0.098 25483 4285 1 9 . 1 1 49 49 GLN H H 49 8.237 8.237 8.127 0.110 25483 4286 1 9 . 1 1 50 50 GLU N N 50 121.947 121.947 118.708 3.239 25483 4287 1 9 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.050 -0.081 25483 4288 1 9 . 1 1 50 50 GLU C C 50 178.863 178.863 177.950 0.913 25483 4289 1 9 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.609 0.522 25483 4290 1 9 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.875 -0.157 25483 4291 1 9 . 1 1 50 50 GLU H H 50 8.659 8.659 7.748 0.911 25483 4292 1 9 . 1 1 51 51 ARG N N 51 115.832 115.832 116.383 -0.551 25483 4293 1 9 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.413 -0.353 25483 4294 1 9 . 1 1 51 51 ARG C C 51 177.748 177.748 176.608 1.140 25483 4295 1 9 . 1 1 51 51 ARG CA C 51 58.480 58.480 55.257 3.223 25483 4296 1 9 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.869 0.289 25483 4297 1 9 . 1 1 51 51 ARG H H 51 8.231 8.231 7.519 0.712 25483 4298 1 9 . 1 1 52 52 SER N N 52 109.790 109.790 115.363 -5.573 25483 4299 1 9 . 1 1 52 52 SER HA H 52 3.759 3.759 4.130 -0.371 25483 4300 1 9 . 1 1 52 52 SER C C 52 174.149 174.149 174.275 -0.126 25483 4301 1 9 . 1 1 52 52 SER CA C 52 58.883 58.883 58.855 0.028 25483 4302 1 9 . 1 1 52 52 SER CB C 52 66.744 66.744 62.424 4.320 25483 4303 1 9 . 1 1 52 52 SER H H 52 8.032 8.032 8.304 -0.272 25483 4304 1 9 . 1 1 53 53 GLY N N 53 112.524 112.524 108.234 4.290 25483 4305 1 9 . 1 1 53 53 GLY C C 53 173.690 173.690 174.310 -0.620 25483 4306 1 9 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.446 1.647 25483 4307 1 9 . 1 1 53 53 GLY H H 53 8.239 8.239 8.297 -0.058 25483 4308 1 9 . 1 1 54 54 ARG N N 54 119.453 119.453 118.977 0.476 25483 4309 1 9 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.160 0.493 25483 4310 1 9 . 1 1 54 54 ARG C C 54 174.144 174.144 177.147 -3.003 25483 4311 1 9 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.216 -1.556 25483 4312 1 9 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.771 4.484 25483 4313 1 9 . 1 1 54 54 ARG H H 54 8.309 8.309 8.298 0.011 25483 4314 1 9 . 1 1 55 55 ASN N N 55 112.521 112.521 119.582 -7.061 25483 4315 1 9 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.660 0.033 25483 4316 1 9 . 1 1 55 55 ASN C C 55 175.197 175.197 174.865 0.332 25483 4317 1 9 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.752 -1.071 25483 4318 1 9 . 1 1 55 55 ASN CB C 55 39.468 39.468 38.049 1.419 25483 4319 1 9 . 1 1 55 55 ASN H H 55 8.154 8.154 8.642 -0.488 25483 4320 1 9 . 1 1 56 56 THR N N 56 107.919 107.919 115.255 -7.336 25483 4321 1 9 . 1 1 56 56 THR HA H 56 4.356 4.356 4.176 0.180 25483 4322 1 9 . 1 1 56 56 THR C C 56 172.477 172.477 174.870 -2.393 25483 4323 1 9 . 1 1 56 56 THR CA C 56 59.438 59.438 61.447 -2.009 25483 4324 1 9 . 1 1 56 56 THR CB C 56 70.636 70.636 69.147 1.489 25483 4325 1 9 . 1 1 56 56 THR H H 56 6.778 6.778 7.564 -0.786 25483 4326 1 9 . 1 1 57 57 PHE N N 57 117.789 117.789 117.846 -0.057 25483 4327 1 9 . 1 1 57 57 PHE HA H 57 4.725 4.725 4.528 0.197 25483 4328 1 9 . 1 1 57 57 PHE C C 57 174.241 174.241 174.522 -0.281 25483 4329 1 9 . 1 1 57 57 PHE CA C 57 55.088 55.088 55.463 -0.375 25483 4330 1 9 . 1 1 57 57 PHE CB C 57 43.506 43.506 37.092 6.414 25483 4331 1 9 . 1 1 57 57 PHE H H 57 8.469 8.469 7.621 0.848 25483 4332 1 9 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.494 1.119 25483 4333 1 9 . 1 1 58 58 PRO C C 58 177.062 177.062 175.833 1.229 25483 4334 1 9 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.882 0.300 25483 4335 1 9 . 1 1 58 58 PRO CB C 58 36.461 36.461 32.839 3.622 25483 4336 1 9 . 1 1 59 59 GLN N N 59 112.113 112.113 116.718 -4.605 25483 4337 1 9 . 1 1 59 59 GLN HA H 59 4.820 4.820 5.389 -0.569 25483 4338 1 9 . 1 1 59 59 GLN C C 59 175.655 175.655 175.882 -0.227 25483 4339 1 9 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.231 0.937 25483 4340 1 9 . 1 1 59 59 GLN CB C 59 31.479 31.479 31.774 -0.295 25483 4341 1 9 . 1 1 59 59 GLN H H 59 8.041 8.041 8.099 -0.058 25483 4342 1 9 . 1 1 60 60 ILE N N 60 123.134 123.134 121.984 1.150 25483 4343 1 9 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.446 0.512 25483 4344 1 9 . 1 1 60 60 ILE C C 60 174.350 174.350 174.439 -0.089 25483 4345 1 9 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.423 1.751 25483 4346 1 9 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.667 1.161 25483 4347 1 9 . 1 1 60 60 ILE H H 60 8.940 8.940 7.881 1.059 25483 4348 1 9 . 1 1 61 61 PHE N N 61 128.163 128.163 123.885 4.278 25483 4349 1 9 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.780 0.613 25483 4350 1 9 . 1 1 61 61 PHE C C 61 174.659 174.659 174.929 -0.270 25483 4351 1 9 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.686 -0.040 25483 4352 1 9 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.771 -2.036 25483 4353 1 9 . 1 1 61 61 PHE H H 61 9.645 9.645 8.776 0.869 25483 4354 1 9 . 1 1 62 62 ILE N N 62 122.592 122.592 117.976 4.616 25483 4355 1 9 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.724 -0.094 25483 4356 1 9 . 1 1 62 62 ILE C C 62 175.360 175.360 175.720 -0.360 25483 4357 1 9 . 1 1 62 62 ILE CA C 62 61.008 61.008 60.530 0.478 25483 4358 1 9 . 1 1 62 62 ILE CB C 62 39.569 39.569 39.383 0.186 25483 4359 1 9 . 1 1 62 62 ILE H H 62 9.066 9.066 8.384 0.682 25483 4360 1 9 . 1 1 63 63 GLY N N 63 116.263 116.263 118.602 -2.339 25483 4361 1 9 . 1 1 63 63 GLY C C 63 175.630 175.630 174.190 1.440 25483 4362 1 9 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.355 0.898 25483 4363 1 9 . 1 1 63 63 GLY H H 63 9.307 9.307 8.239 1.068 25483 4364 1 9 . 1 1 64 64 SER N N 64 122.053 122.053 119.762 2.291 25483 4365 1 9 . 1 1 64 64 SER HA H 64 4.566 4.566 4.673 -0.107 25483 4366 1 9 . 1 1 64 64 SER C C 64 173.891 173.891 174.005 -0.114 25483 4367 1 9 . 1 1 64 64 SER CA C 64 59.071 59.071 57.878 1.193 25483 4368 1 9 . 1 1 64 64 SER CB C 64 63.895 63.895 63.186 0.709 25483 4369 1 9 . 1 1 64 64 SER H H 64 9.236 9.236 8.581 0.655 25483 4370 1 9 . 1 1 65 65 VAL N N 65 124.553 124.553 121.385 3.168 25483 4371 1 9 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.384 -0.307 25483 4372 1 9 . 1 1 65 65 VAL C C 65 175.294 175.294 174.015 1.279 25483 4373 1 9 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.551 1.183 25483 4374 1 9 . 1 1 65 65 VAL CB C 65 33.078 33.078 35.616 -2.538 25483 4375 1 9 . 1 1 65 65 VAL H H 65 8.494 8.494 7.514 0.980 25483 4376 1 9 . 1 1 66 66 HIS N N 66 102.561 102.561 125.153 -22.592 25483 4377 1 9 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.547 -0.185 25483 4378 1 9 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.258 -0.645 25483 4379 1 9 . 1 1 66 66 HIS CB C 66 30.941 30.941 31.619 -0.678 25483 4380 1 9 . 1 1 66 66 HIS H H 66 8.966 8.966 8.531 0.435 25483 4381 1 9 . 1 1 67 67 VAL N N 67 130.151 130.151 125.200 4.951 25483 4382 1 9 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.337 -0.907 25483 4383 1 9 . 1 1 67 67 VAL C C 67 174.677 174.677 174.301 0.376 25483 4384 1 9 . 1 1 67 67 VAL CA C 67 64.029 64.029 59.734 4.295 25483 4385 1 9 . 1 1 67 67 VAL CB C 67 32.426 32.426 35.224 -2.797 25483 4386 1 9 . 1 1 67 67 VAL H H 67 8.214 8.214 7.242 0.972 25483 4387 1 9 . 1 1 68 68 GLY N N 68 102.768 102.768 113.690 -10.922 25483 4388 1 9 . 1 1 68 68 GLY C C 68 173.023 173.023 173.646 -0.623 25483 4389 1 9 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.282 -3.502 25483 4390 1 9 . 1 1 68 68 GLY H H 68 6.436 6.436 8.453 -2.017 25483 4391 1 9 . 1 1 69 69 GLY N N 69 110.061 110.061 105.709 4.352 25483 4392 1 9 . 1 1 69 69 GLY C C 69 175.375 175.375 174.480 0.895 25483 4393 1 9 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.701 -0.778 25483 4394 1 9 . 1 1 69 69 GLY H H 69 9.004 9.004 7.474 1.530 25483 4395 1 9 . 1 1 70 70 SER N N 70 113.592 113.592 117.182 -3.590 25483 4396 1 9 . 1 1 70 70 SER HA H 70 3.894 3.894 3.837 0.057 25483 4397 1 9 . 1 1 70 70 SER CA C 70 62.816 62.816 62.038 0.778 25483 4398 1 9 . 1 1 70 70 SER H H 70 8.088 8.088 8.585 -0.497 25483 4399 1 9 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.314 0.090 25483 4400 1 9 . 1 1 71 71 ASP C C 71 179.115 179.115 177.804 1.311 25483 4401 1 9 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.334 0.276 25483 4402 1 9 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.483 -1.158 25483 4403 1 9 . 1 1 72 72 ASP N N 72 119.325 119.325 120.187 -0.862 25483 4404 1 9 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.577 -0.231 25483 4405 1 9 . 1 1 72 72 ASP C C 72 177.816 177.816 178.601 -0.785 25483 4406 1 9 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.270 0.943 25483 4407 1 9 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.901 0.508 25483 4408 1 9 . 1 1 72 72 ASP H H 72 7.232 7.232 7.638 -0.406 25483 4409 1 9 . 1 1 73 73 LEU N N 73 121.336 121.336 122.394 -1.058 25483 4410 1 9 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.790 -0.017 25483 4411 1 9 . 1 1 73 73 LEU C C 73 177.957 177.957 178.329 -0.372 25483 4412 1 9 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.326 0.028 25483 4413 1 9 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.951 0.225 25483 4414 1 9 . 1 1 73 73 LEU H H 73 7.789 7.789 8.439 -0.650 25483 4415 1 9 . 1 1 74 74 TYR N N 74 116.570 116.570 117.305 -0.735 25483 4416 1 9 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.083 -0.334 25483 4417 1 9 . 1 1 74 74 TYR C C 74 178.275 178.275 177.663 0.612 25483 4418 1 9 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.396 1.302 25483 4419 1 9 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.720 -0.209 25483 4420 1 9 . 1 1 74 74 TYR H H 74 8.318 8.318 8.395 -0.077 25483 4421 1 9 . 1 1 75 75 ALA N N 75 122.593 122.593 121.878 0.715 25483 4422 1 9 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.963 0.292 25483 4423 1 9 . 1 1 75 75 ALA C C 75 180.162 180.162 179.306 0.856 25483 4424 1 9 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.050 0.553 25483 4425 1 9 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.158 -0.529 25483 4426 1 9 . 1 1 75 75 ALA H H 75 8.082 8.082 7.537 0.545 25483 4427 1 9 . 1 1 76 76 LEU N N 76 116.647 116.647 118.194 -1.547 25483 4428 1 9 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.888 0.167 25483 4429 1 9 . 1 1 76 76 LEU C C 76 179.538 179.538 178.591 0.947 25483 4430 1 9 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.778 0.078 25483 4431 1 9 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.426 1.251 25483 4432 1 9 . 1 1 76 76 LEU H H 76 7.389 7.389 7.911 -0.522 25483 4433 1 9 . 1 1 77 77 GLU N N 77 121.342 121.342 118.741 2.601 25483 4434 1 9 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.971 0.626 25483 4435 1 9 . 1 1 77 77 GLU C C 77 179.674 179.674 178.431 1.243 25483 4436 1 9 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.561 -1.530 25483 4437 1 9 . 1 1 77 77 GLU CB C 77 28.117 28.117 28.960 -0.843 25483 4438 1 9 . 1 1 77 77 GLU H H 77 7.461 7.461 8.227 -0.766 25483 4439 1 9 . 1 1 78 78 ASP N N 78 123.339 123.339 118.676 4.663 25483 4440 1 9 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.503 -0.052 25483 4441 1 9 . 1 1 78 78 ASP C C 78 178.412 178.412 178.230 0.182 25483 4442 1 9 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.841 0.629 25483 4443 1 9 . 1 1 78 78 ASP CB C 78 40.544 40.544 41.010 -0.466 25483 4444 1 9 . 1 1 78 78 ASP H H 78 8.650 8.650 7.544 1.106 25483 4445 1 9 . 1 1 79 79 GLU N N 79 115.360 115.360 117.145 -1.785 25483 4446 1 9 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.151 0.181 25483 4447 1 9 . 1 1 79 79 GLU C C 79 176.861 176.861 178.109 -1.248 25483 4448 1 9 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.087 -0.772 25483 4449 1 9 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.173 0.528 25483 4450 1 9 . 1 1 79 79 GLU H H 79 7.791 7.791 7.925 -0.134 25483 4451 1 9 . 1 1 80 80 GLY N N 80 108.851 108.851 107.264 1.587 25483 4452 1 9 . 1 1 80 80 GLY C C 80 176.085 176.085 174.236 1.849 25483 4453 1 9 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.344 0.897 25483 4454 1 9 . 1 1 80 80 GLY H H 80 8.078 8.078 8.347 -0.269 25483 4455 1 9 . 1 1 81 81 LYS N N 81 116.858 116.858 119.323 -2.465 25483 4456 1 9 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.622 -0.177 25483 4457 1 9 . 1 1 81 81 LYS C C 81 176.789 176.789 176.698 0.091 25483 4458 1 9 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.147 1.421 25483 4459 1 9 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.145 2.859 25483 4460 1 9 . 1 1 81 81 LYS H H 81 8.216 8.216 7.919 0.297 25483 4461 1 9 . 1 1 82 82 LEU N N 82 122.543 122.543 118.296 4.247 25483 4462 1 9 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.131 -0.090 25483 4463 1 9 . 1 1 82 82 LEU C C 82 177.466 177.466 177.638 -0.172 25483 4464 1 9 . 1 1 82 82 LEU CA C 82 57.497 57.497 58.351 -0.854 25483 4465 1 9 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.409 -0.920 25483 4466 1 9 . 1 1 82 82 LEU H H 82 7.516 7.516 7.876 -0.360 25483 4467 1 9 . 1 1 83 83 ASP N N 83 119.643 119.643 119.623 0.020 25483 4468 1 9 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.279 0.027 25483 4469 1 9 . 1 1 83 83 ASP C C 83 178.744 178.744 178.259 0.485 25483 4470 1 9 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.650 1.088 25483 4471 1 9 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.236 -0.282 25483 4472 1 9 . 1 1 83 83 ASP H H 83 8.662 8.662 8.382 0.280 25483 4473 1 9 . 1 1 84 84 SER N N 84 113.208 113.208 113.877 -0.669 25483 4474 1 9 . 1 1 84 84 SER HA H 84 4.266 4.266 4.244 0.022 25483 4475 1 9 . 1 1 84 84 SER C C 84 177.581 177.581 176.296 1.285 25483 4476 1 9 . 1 1 84 84 SER CA C 84 61.483 61.483 60.960 0.523 25483 4477 1 9 . 1 1 84 84 SER CB C 84 62.667 62.667 63.156 -0.489 25483 4478 1 9 . 1 1 84 84 SER H H 84 8.425 8.425 8.256 0.169 25483 4479 1 9 . 1 1 85 85 LEU N N 85 126.393 126.393 122.976 3.417 25483 4480 1 9 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.323 0.032 25483 4481 1 9 . 1 1 85 85 LEU C C 85 178.692 178.692 178.177 0.515 25483 4482 1 9 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.186 0.223 25483 4483 1 9 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.134 -0.619 25483 4484 1 9 . 1 1 85 85 LEU H H 85 7.577 7.577 7.263 0.314 25483 4485 1 9 . 1 1 86 86 LEU N N 86 117.833 117.833 113.540 4.293 25483 4486 1 9 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.247 -0.364 25483 4487 1 9 . 1 1 86 86 LEU C C 86 177.470 177.470 178.643 -1.173 25483 4488 1 9 . 1 1 86 86 LEU CA C 86 57.781 57.781 57.187 0.594 25483 4489 1 9 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.251 0.551 25483 4490 1 9 . 1 1 86 86 LEU H H 86 8.406 8.406 8.371 0.035 25483 4491 1 9 . 1 1 87 87 LYS N N 87 113.997 113.997 117.793 -3.796 25483 4492 1 9 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.359 0.030 25483 4493 1 9 . 1 1 87 87 LYS C C 87 178.282 178.282 177.578 0.704 25483 4494 1 9 . 1 1 87 87 LYS CA C 87 58.334 58.334 57.995 0.339 25483 4495 1 9 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.374 0.539 25483 4496 1 9 . 1 1 87 87 LYS H H 87 7.548 7.548 7.903 -0.355 25483 4497 1 9 . 1 1 88 88 THR N N 88 106.050 106.050 106.535 -0.485 25483 4498 1 9 . 1 1 88 88 THR HA H 88 4.545 4.545 4.474 0.071 25483 4499 1 9 . 1 1 88 88 THR C C 88 176.566 176.566 173.975 2.591 25483 4500 1 9 . 1 1 88 88 THR CA C 88 62.396 62.396 62.182 0.214 25483 4501 1 9 . 1 1 88 88 THR CB C 88 72.438 72.438 72.260 0.178 25483 4502 1 9 . 1 1 88 88 THR H H 88 8.178 8.178 7.879 0.299 25483 4503 1 9 . 1 1 89 89 GLY N N 89 112.811 112.811 111.111 1.700 25483 4504 1 9 . 1 1 89 89 GLY C C 89 171.985 171.985 172.492 -0.507 25483 4505 1 9 . 1 1 89 89 GLY CA C 89 46.816 46.816 44.959 1.857 25483 4506 1 9 . 1 1 89 89 GLY H H 89 9.153 9.153 7.996 1.157 25483 4507 1 9 . 1 1 90 90 LYS N N 90 117.650 117.650 124.178 -6.528 25483 4508 1 9 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.653 -0.143 25483 4509 1 9 . 1 1 90 90 LYS C C 90 174.330 174.330 175.313 -0.983 25483 4510 1 9 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.669 -0.060 25483 4511 1 9 . 1 1 90 90 LYS CB C 90 35.701 35.701 34.339 1.362 25483 4512 1 9 . 1 1 90 90 LYS H H 90 7.940 7.940 8.185 -0.245 25483 4513 1 9 . 1 1 91 91 LEU N N 91 123.149 123.149 120.499 2.650 25483 4514 1 9 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.595 -0.126 25483 4515 1 9 . 1 1 91 91 LEU C C 91 175.848 175.848 177.339 -1.491 25483 4516 1 9 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.933 -1.333 25483 4517 1 9 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.263 0.748 25483 4518 1 9 . 1 1 91 91 LEU H H 91 8.501 8.501 8.495 0.006 25483 4519 1 10 . 1 1 3 3 GLY N N 3 110.312 110.312 107.923 2.389 25483 4520 1 10 . 1 1 3 3 GLY C C 3 174.169 174.169 173.837 0.332 25483 4521 1 10 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.272 1.203 25483 4522 1 10 . 1 1 3 3 GLY H H 3 8.679 8.679 7.981 0.698 25483 4523 1 10 . 1 1 4 4 SER N N 4 115.617 115.617 115.519 0.098 25483 4524 1 10 . 1 1 4 4 SER HA H 4 4.499 4.499 4.702 -0.203 25483 4525 1 10 . 1 1 4 4 SER C C 4 174.408 174.408 173.692 0.716 25483 4526 1 10 . 1 1 4 4 SER CA C 4 58.541 58.541 58.151 0.390 25483 4527 1 10 . 1 1 4 4 SER CB C 4 63.920 63.920 64.165 -0.245 25483 4528 1 10 . 1 1 4 4 SER H H 4 8.237 8.237 8.386 -0.149 25483 4529 1 10 . 1 1 5 5 MET N N 5 121.390 121.390 119.727 1.663 25483 4530 1 10 . 1 1 5 5 MET HA H 5 4.702 4.702 4.713 -0.011 25483 4531 1 10 . 1 1 5 5 MET C C 5 176.122 176.122 174.295 1.827 25483 4532 1 10 . 1 1 5 5 MET CA C 5 55.600 55.600 55.211 0.390 25483 4533 1 10 . 1 1 5 5 MET CB C 5 34.357 34.357 33.814 0.543 25483 4534 1 10 . 1 1 5 5 MET H H 5 8.309 8.309 8.208 0.101 25483 4535 1 10 . 1 1 6 6 VAL N N 6 117.990 117.990 118.452 -0.462 25483 4536 1 10 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.198 0.003 25483 4537 1 10 . 1 1 6 6 VAL C C 6 174.450 174.450 174.684 -0.234 25483 4538 1 10 . 1 1 6 6 VAL CA C 6 61.418 61.418 62.168 -0.750 25483 4539 1 10 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.161 0.424 25483 4540 1 10 . 1 1 6 6 VAL H H 6 8.175 8.175 8.522 -0.347 25483 4541 1 10 . 1 1 7 7 ASP N N 7 121.785 121.785 118.654 3.131 25483 4542 1 10 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.874 -0.306 25483 4543 1 10 . 1 1 7 7 ASP C C 7 175.866 175.866 175.295 0.571 25483 4544 1 10 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.178 1.990 25483 4545 1 10 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.954 -2.355 25483 4546 1 10 . 1 1 7 7 ASP H H 7 8.332 8.332 8.329 0.003 25483 4547 1 10 . 1 1 8 8 VAL N N 8 124.023 124.023 121.598 2.425 25483 4548 1 10 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.842 0.156 25483 4549 1 10 . 1 1 8 8 VAL C C 8 174.859 174.859 176.134 -1.275 25483 4550 1 10 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.294 -0.833 25483 4551 1 10 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.184 1.137 25483 4552 1 10 . 1 1 8 8 VAL H H 8 8.658 8.658 8.635 0.023 25483 4553 1 10 . 1 1 9 9 ILE N N 9 129.744 129.744 127.108 2.636 25483 4554 1 10 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.643 0.368 25483 4555 1 10 . 1 1 9 9 ILE C C 9 174.323 174.323 174.201 0.122 25483 4556 1 10 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.541 -0.844 25483 4557 1 10 . 1 1 9 9 ILE CB C 9 41.279 41.279 41.893 -0.614 25483 4558 1 10 . 1 1 9 9 ILE H H 9 9.306 9.306 8.577 0.729 25483 4559 1 10 . 1 1 10 10 ILE N N 10 123.657 123.657 123.855 -0.198 25483 4560 1 10 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.224 0.175 25483 4561 1 10 . 1 1 10 10 ILE C C 10 173.066 173.066 174.047 -0.981 25483 4562 1 10 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.217 0.272 25483 4563 1 10 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.329 -0.532 25483 4564 1 10 . 1 1 10 10 ILE H H 10 8.734 8.734 8.724 0.010 25483 4565 1 10 . 1 1 11 11 TYR N N 11 128.973 128.973 127.004 1.969 25483 4566 1 10 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.725 0.962 25483 4567 1 10 . 1 1 11 11 TYR C C 11 176.756 176.756 174.622 2.134 25483 4568 1 10 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.325 -0.917 25483 4569 1 10 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.559 1.724 25483 4570 1 10 . 1 1 11 11 TYR H H 11 9.292 9.292 9.158 0.134 25483 4571 1 10 . 1 1 12 12 THR N N 12 112.725 112.725 116.603 -3.878 25483 4572 1 10 . 1 1 12 12 THR HA H 12 5.732 5.732 4.533 1.199 25483 4573 1 10 . 1 1 12 12 THR C C 12 172.866 172.866 173.372 -0.506 25483 4574 1 10 . 1 1 12 12 THR CA C 12 59.671 59.671 60.953 -1.282 25483 4575 1 10 . 1 1 12 12 THR CB C 12 72.735 72.735 71.179 1.556 25483 4576 1 10 . 1 1 12 12 THR H H 12 9.253 9.253 7.914 1.339 25483 4577 1 10 . 1 1 13 13 ARG N N 13 116.857 116.857 122.955 -6.098 25483 4578 1 10 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.328 0.457 25483 4579 1 10 . 1 1 13 13 ARG C C 13 173.407 173.407 175.318 -1.911 25483 4580 1 10 . 1 1 13 13 ARG CA C 13 53.254 53.254 55.689 -2.435 25483 4581 1 10 . 1 1 13 13 ARG CB C 13 31.597 31.597 29.427 2.170 25483 4582 1 10 . 1 1 13 13 ARG H H 13 8.695 8.695 8.425 0.270 25483 4583 1 10 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.350 -0.189 25483 4584 1 10 . 1 1 14 14 PRO C C 14 177.642 177.642 176.670 0.972 25483 4585 1 10 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.059 -5.081 25483 4586 1 10 . 1 1 14 14 PRO CB C 14 30.197 30.197 30.354 -0.157 25483 4587 1 10 . 1 1 15 15 GLY N N 15 108.958 108.958 112.175 -3.217 25483 4588 1 10 . 1 1 15 15 GLY C C 15 173.520 173.520 173.963 -0.443 25483 4589 1 10 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.529 0.505 25483 4590 1 10 . 1 1 15 15 GLY H H 15 8.534 8.534 8.660 -0.126 25483 4591 1 10 . 1 1 16 16 CYS N N 16 122.701 122.701 122.599 0.102 25483 4592 1 10 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.537 0.498 25483 4593 1 10 . 1 1 16 16 CYS C C 16 175.994 175.994 173.392 2.602 25483 4594 1 10 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.816 -4.598 25483 4595 1 10 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.541 4.173 25483 4596 1 10 . 1 1 16 16 CYS H H 16 7.476 7.476 8.864 -1.388 25483 4597 1 10 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.685 -0.345 25483 4598 1 10 . 1 1 17 17 PRO C C 17 178.531 178.531 176.798 1.733 25483 4599 1 10 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.784 1.747 25483 4600 1 10 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.060 0.080 25483 4601 1 10 . 1 1 18 18 TYR N N 18 121.799 121.799 119.011 2.788 25483 4602 1 10 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.370 0.052 25483 4603 1 10 . 1 1 18 18 TYR C C 18 178.508 178.508 176.796 1.712 25483 4604 1 10 . 1 1 18 18 TYR CA C 18 61.076 61.076 57.839 3.237 25483 4605 1 10 . 1 1 18 18 TYR CB C 18 38.433 38.433 38.472 -0.039 25483 4606 1 10 . 1 1 18 18 TYR H H 18 8.148 8.148 8.674 -0.526 25483 4607 1 10 . 1 1 19 19 CYS N N 19 122.966 122.966 115.653 7.313 25483 4608 1 10 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.141 -0.139 25483 4609 1 10 . 1 1 19 19 CYS C C 19 177.642 177.642 175.570 2.072 25483 4610 1 10 . 1 1 19 19 CYS CA C 19 64.471 64.471 59.147 5.324 25483 4611 1 10 . 1 1 19 19 CYS CB C 19 31.017 31.017 26.360 4.657 25483 4612 1 10 . 1 1 19 19 CYS H H 19 7.833 7.833 8.606 -0.773 25483 4613 1 10 . 1 1 20 20 ALA N N 20 121.738 121.738 123.565 -1.827 25483 4614 1 10 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.111 0.039 25483 4615 1 10 . 1 1 20 20 ALA C C 20 180.531 180.531 179.277 1.254 25483 4616 1 10 . 1 1 20 20 ALA CA C 20 55.584 55.584 53.616 1.968 25483 4617 1 10 . 1 1 20 20 ALA CB C 20 18.029 18.029 19.538 -1.509 25483 4618 1 10 . 1 1 20 20 ALA H H 20 7.080 7.080 8.531 -1.451 25483 4619 1 10 . 1 1 21 21 ARG N N 21 119.812 119.812 119.779 0.033 25483 4620 1 10 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.117 0.125 25483 4621 1 10 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.615 -1.690 25483 4622 1 10 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.824 0.044 25483 4623 1 10 . 1 1 21 21 ARG H H 21 8.039 8.039 8.439 -0.400 25483 4624 1 10 . 1 1 22 22 ALA N N 22 124.459 124.459 121.690 2.769 25483 4625 1 10 . 1 1 22 22 ALA HA H 22 4.140 4.140 4.055 0.085 25483 4626 1 10 . 1 1 22 22 ALA C C 22 178.267 178.267 179.542 -1.275 25483 4627 1 10 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.878 0.793 25483 4628 1 10 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.151 1.074 25483 4629 1 10 . 1 1 22 22 ALA H H 22 7.768 7.768 8.352 -0.584 25483 4630 1 10 . 1 1 23 23 LYS N N 23 116.014 116.014 118.451 -2.437 25483 4631 1 10 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.488 -0.187 25483 4632 1 10 . 1 1 23 23 LYS C C 23 177.995 177.995 178.642 -0.647 25483 4633 1 10 . 1 1 23 23 LYS CA C 23 60.722 60.722 58.313 2.409 25483 4634 1 10 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.786 -0.136 25483 4635 1 10 . 1 1 23 23 LYS H H 23 7.984 7.984 7.568 0.416 25483 4636 1 10 . 1 1 24 24 ALA N N 24 120.042 120.042 122.274 -2.232 25483 4637 1 10 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.033 0.177 25483 4638 1 10 . 1 1 24 24 ALA C C 24 180.610 180.610 179.595 1.015 25483 4639 1 10 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.929 -0.064 25483 4640 1 10 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.189 -0.253 25483 4641 1 10 . 1 1 24 24 ALA H H 24 8.040 8.040 8.000 0.040 25483 4642 1 10 . 1 1 25 25 LEU N N 25 119.514 119.514 119.456 0.058 25483 4643 1 10 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.880 0.272 25483 4644 1 10 . 1 1 25 25 LEU C C 25 177.834 177.834 178.631 -0.797 25483 4645 1 10 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.807 -0.119 25483 4646 1 10 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.689 -0.954 25483 4647 1 10 . 1 1 25 25 LEU H H 25 7.150 7.150 7.293 -0.143 25483 4648 1 10 . 1 1 26 26 LEU N N 26 117.253 117.253 116.140 1.113 25483 4649 1 10 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.869 -0.116 25483 4650 1 10 . 1 1 26 26 LEU C C 26 178.553 178.553 178.582 -0.029 25483 4651 1 10 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.519 0.956 25483 4652 1 10 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.141 -0.077 25483 4653 1 10 . 1 1 26 26 LEU H H 26 7.576 7.576 7.498 0.078 25483 4654 1 10 . 1 1 27 27 ALA N N 27 119.606 119.606 118.227 1.379 25483 4655 1 10 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.271 0.070 25483 4656 1 10 . 1 1 27 27 ALA C C 27 182.219 182.219 178.843 3.376 25483 4657 1 10 . 1 1 27 27 ALA CA C 27 55.326 55.326 53.775 1.551 25483 4658 1 10 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.844 -0.736 25483 4659 1 10 . 1 1 27 27 ALA H H 27 8.629 8.629 7.660 0.969 25483 4660 1 10 . 1 1 28 28 ARG N N 28 121.081 121.081 119.878 1.203 25483 4661 1 10 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.211 -0.046 25483 4662 1 10 . 1 1 28 28 ARG C C 28 178.659 178.659 177.722 0.937 25483 4663 1 10 . 1 1 28 28 ARG CA C 28 59.181 59.181 57.498 1.683 25483 4664 1 10 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.893 -0.973 25483 4665 1 10 . 1 1 28 28 ARG H H 28 7.992 7.992 7.870 0.122 25483 4666 1 10 . 1 1 29 29 LYS N N 29 115.790 115.790 116.973 -1.183 25483 4667 1 10 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.450 -0.216 25483 4668 1 10 . 1 1 29 29 LYS C C 29 176.666 176.666 176.653 0.013 25483 4669 1 10 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.700 -0.755 25483 4670 1 10 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.650 -1.209 25483 4671 1 10 . 1 1 29 29 LYS H H 29 7.663 7.663 7.755 -0.092 25483 4672 1 10 . 1 1 30 30 GLY N N 30 107.767 107.767 108.699 -0.932 25483 4673 1 10 . 1 1 30 30 GLY C C 30 174.014 174.014 174.759 -0.745 25483 4674 1 10 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.855 -0.450 25483 4675 1 10 . 1 1 30 30 GLY H H 30 7.930 7.930 8.283 -0.353 25483 4676 1 10 . 1 1 31 31 ALA N N 31 122.192 122.192 120.456 1.736 25483 4677 1 10 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.273 0.230 25483 4678 1 10 . 1 1 31 31 ALA C C 31 176.691 176.691 177.100 -0.409 25483 4679 1 10 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.504 -0.873 25483 4680 1 10 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.073 -0.135 25483 4681 1 10 . 1 1 31 31 ALA H H 31 7.844 7.844 7.583 0.261 25483 4682 1 10 . 1 1 32 32 GLU N N 32 123.903 123.903 120.056 3.847 25483 4683 1 10 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.372 -0.137 25483 4684 1 10 . 1 1 32 32 GLU C C 32 176.080 176.080 175.380 0.700 25483 4685 1 10 . 1 1 32 32 GLU CA C 32 55.735 55.735 56.353 -0.618 25483 4686 1 10 . 1 1 32 32 GLU CB C 32 29.777 29.777 31.211 -1.434 25483 4687 1 10 . 1 1 32 32 GLU H H 32 8.337 8.337 8.557 -0.220 25483 4688 1 10 . 1 1 33 33 PHE N N 33 116.634 116.634 115.310 1.324 25483 4689 1 10 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.167 0.065 25483 4690 1 10 . 1 1 33 33 PHE C C 33 173.397 173.397 173.454 -0.057 25483 4691 1 10 . 1 1 33 33 PHE CA C 33 55.221 55.221 56.427 -1.206 25483 4692 1 10 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.096 0.411 25483 4693 1 10 . 1 1 33 33 PHE H H 33 7.640 7.640 7.691 -0.051 25483 4694 1 10 . 1 1 34 34 ASN N N 34 120.133 120.133 119.983 0.150 25483 4695 1 10 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.891 0.080 25483 4696 1 10 . 1 1 34 34 ASN C C 34 173.199 173.199 174.340 -1.141 25483 4697 1 10 . 1 1 34 34 ASN CA C 34 52.180 52.180 51.775 0.405 25483 4698 1 10 . 1 1 34 34 ASN CB C 34 39.840 39.840 40.983 -1.143 25483 4699 1 10 . 1 1 34 34 ASN H H 34 8.921 8.921 8.430 0.491 25483 4700 1 10 . 1 1 35 35 GLU N N 35 126.204 126.204 124.459 1.745 25483 4701 1 10 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.654 0.524 25483 4702 1 10 . 1 1 35 35 GLU C C 35 175.185 175.185 175.764 -0.579 25483 4703 1 10 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.453 -1.902 25483 4704 1 10 . 1 1 35 35 GLU CB C 35 31.437 31.437 30.863 0.574 25483 4705 1 10 . 1 1 35 35 GLU H H 35 8.758 8.758 8.717 0.041 25483 4706 1 10 . 1 1 36 36 ILE N N 36 130.012 130.012 122.952 7.060 25483 4707 1 10 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.157 0.004 25483 4708 1 10 . 1 1 36 36 ILE C C 36 174.987 174.987 174.667 0.320 25483 4709 1 10 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.651 0.532 25483 4710 1 10 . 1 1 36 36 ILE CB C 36 40.273 40.273 39.281 0.992 25483 4711 1 10 . 1 1 36 36 ILE H H 36 9.080 9.080 7.970 1.110 25483 4712 1 10 . 1 1 37 37 ASP N N 37 125.921 125.921 126.707 -0.786 25483 4713 1 10 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.519 0.483 25483 4714 1 10 . 1 1 37 37 ASP C C 37 176.847 176.847 174.887 1.960 25483 4715 1 10 . 1 1 37 37 ASP CA C 37 52.878 52.878 53.914 -1.036 25483 4716 1 10 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.644 -1.354 25483 4717 1 10 . 1 1 37 37 ASP H H 37 8.515 8.515 8.589 -0.074 25483 4718 1 10 . 1 1 38 38 ALA N N 38 130.525 130.525 126.313 4.212 25483 4719 1 10 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.495 0.163 25483 4720 1 10 . 1 1 38 38 ALA C C 38 175.507 175.507 177.252 -1.745 25483 4721 1 10 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.604 0.316 25483 4722 1 10 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.886 -0.274 25483 4723 1 10 . 1 1 38 38 ALA H H 38 8.845 8.845 7.715 1.129 25483 4724 1 10 . 1 1 39 39 SER N N 39 111.653 111.653 111.663 -0.010 25483 4725 1 10 . 1 1 39 39 SER HA H 39 4.425 4.425 4.113 0.312 25483 4726 1 10 . 1 1 39 39 SER C C 39 176.988 176.988 174.252 2.736 25483 4727 1 10 . 1 1 39 39 SER CA C 39 59.504 59.504 59.715 -0.211 25483 4728 1 10 . 1 1 39 39 SER CB C 39 64.768 64.768 61.836 2.932 25483 4729 1 10 . 1 1 39 39 SER H H 39 8.727 8.727 8.835 -0.108 25483 4730 1 10 . 1 1 40 40 ALA N N 40 124.164 124.164 121.387 2.777 25483 4731 1 10 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.474 -0.245 25483 4732 1 10 . 1 1 40 40 ALA C C 40 178.039 178.039 177.305 0.734 25483 4733 1 10 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.982 1.865 25483 4734 1 10 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.104 0.274 25483 4735 1 10 . 1 1 40 40 ALA H H 40 7.543 7.543 8.306 -0.763 25483 4736 1 10 . 1 1 41 41 THR N N 41 106.060 106.060 113.295 -7.235 25483 4737 1 10 . 1 1 41 41 THR HA H 41 5.006 5.006 4.850 0.156 25483 4738 1 10 . 1 1 41 41 THR C C 41 173.200 173.200 172.985 0.215 25483 4739 1 10 . 1 1 41 41 THR CA C 41 57.856 57.856 58.595 -0.739 25483 4740 1 10 . 1 1 41 41 THR CB C 41 70.541 70.541 70.330 0.211 25483 4741 1 10 . 1 1 41 41 THR H H 41 7.162 7.162 7.531 -0.369 25483 4742 1 10 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.415 -0.090 25483 4743 1 10 . 1 1 42 42 PRO C C 42 179.534 179.534 177.849 1.685 25483 4744 1 10 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.599 0.208 25483 4745 1 10 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.142 -0.401 25483 4746 1 10 . 1 1 43 43 GLU N N 43 118.723 118.723 119.824 -1.101 25483 4747 1 10 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.118 -0.010 25483 4748 1 10 . 1 1 43 43 GLU C C 43 179.692 179.692 178.532 1.160 25483 4749 1 10 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.386 1.335 25483 4750 1 10 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.641 -1.090 25483 4751 1 10 . 1 1 43 43 GLU H H 43 9.124 9.124 8.050 1.074 25483 4752 1 10 . 1 1 44 44 LEU N N 44 121.970 121.970 119.123 2.847 25483 4753 1 10 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.110 0.230 25483 4754 1 10 . 1 1 44 44 LEU C C 44 178.924 178.924 179.040 -0.116 25483 4755 1 10 . 1 1 44 44 LEU CA C 44 57.472 57.472 58.011 -0.539 25483 4756 1 10 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.855 0.577 25483 4757 1 10 . 1 1 44 44 LEU H H 44 7.838 7.838 7.835 0.003 25483 4758 1 10 . 1 1 45 45 ARG N N 45 122.130 122.130 117.693 4.437 25483 4759 1 10 . 1 1 45 45 ARG HA H 45 4.093 4.093 4.000 0.093 25483 4760 1 10 . 1 1 45 45 ARG C C 45 178.955 178.955 178.332 0.623 25483 4761 1 10 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.199 0.925 25483 4762 1 10 . 1 1 45 45 ARG CB C 45 30.147 30.147 29.432 0.715 25483 4763 1 10 . 1 1 45 45 ARG H H 45 7.762 7.762 7.733 0.029 25483 4764 1 10 . 1 1 46 46 ALA N N 46 121.165 121.165 121.915 -0.750 25483 4765 1 10 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.177 -0.041 25483 4766 1 10 . 1 1 46 46 ALA C C 46 179.912 179.912 179.630 0.282 25483 4767 1 10 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.604 0.341 25483 4768 1 10 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.068 -0.356 25483 4769 1 10 . 1 1 46 46 ALA H H 46 8.160 8.160 7.673 0.487 25483 4770 1 10 . 1 1 47 47 GLU N N 47 120.906 120.906 119.996 0.910 25483 4771 1 10 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.053 -0.000 25483 4772 1 10 . 1 1 47 47 GLU C C 47 178.039 178.039 179.030 -0.991 25483 4773 1 10 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.319 0.181 25483 4774 1 10 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.483 0.328 25483 4775 1 10 . 1 1 47 47 GLU H H 47 7.918 7.918 7.876 0.042 25483 4776 1 10 . 1 1 48 48 MET N N 48 118.645 118.645 116.912 1.733 25483 4777 1 10 . 1 1 48 48 MET HA H 48 2.897 2.897 4.217 -1.320 25483 4778 1 10 . 1 1 48 48 MET C C 48 180.282 180.282 178.324 1.958 25483 4779 1 10 . 1 1 48 48 MET CA C 48 59.540 59.540 58.885 0.656 25483 4780 1 10 . 1 1 48 48 MET CB C 48 33.502 33.502 32.540 0.962 25483 4781 1 10 . 1 1 48 48 MET H H 48 8.047 8.047 7.666 0.381 25483 4782 1 10 . 1 1 49 49 GLN N N 49 122.104 122.104 119.804 2.300 25483 4783 1 10 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.110 0.229 25483 4784 1 10 . 1 1 49 49 GLN C C 49 178.780 178.780 177.977 0.803 25483 4785 1 10 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.503 0.241 25483 4786 1 10 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.120 0.117 25483 4787 1 10 . 1 1 49 49 GLN H H 49 8.237 8.237 7.939 0.298 25483 4788 1 10 . 1 1 50 50 GLU N N 50 121.947 121.947 119.841 2.106 25483 4789 1 10 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.090 -0.121 25483 4790 1 10 . 1 1 50 50 GLU C C 50 178.863 178.863 177.913 0.950 25483 4791 1 10 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.844 0.287 25483 4792 1 10 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.637 0.082 25483 4793 1 10 . 1 1 50 50 GLU H H 50 8.659 8.659 7.889 0.770 25483 4794 1 10 . 1 1 51 51 ARG N N 51 115.832 115.832 116.587 -0.755 25483 4795 1 10 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.368 -0.308 25483 4796 1 10 . 1 1 51 51 ARG C C 51 177.748 177.748 176.379 1.369 25483 4797 1 10 . 1 1 51 51 ARG CA C 51 58.480 58.480 56.079 2.401 25483 4798 1 10 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.860 0.298 25483 4799 1 10 . 1 1 51 51 ARG H H 51 8.231 8.231 7.828 0.403 25483 4800 1 10 . 1 1 52 52 SER N N 52 109.790 109.790 114.058 -4.268 25483 4801 1 10 . 1 1 52 52 SER HA H 52 3.759 3.759 4.181 -0.422 25483 4802 1 10 . 1 1 52 52 SER C C 52 174.149 174.149 174.597 -0.448 25483 4803 1 10 . 1 1 52 52 SER CA C 52 58.883 58.883 58.895 -0.012 25483 4804 1 10 . 1 1 52 52 SER CB C 52 66.744 66.744 61.910 4.834 25483 4805 1 10 . 1 1 52 52 SER H H 52 8.032 8.032 8.349 -0.317 25483 4806 1 10 . 1 1 53 53 GLY N N 53 112.524 112.524 108.950 3.574 25483 4807 1 10 . 1 1 53 53 GLY C C 53 173.690 173.690 174.245 -0.555 25483 4808 1 10 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.731 1.362 25483 4809 1 10 . 1 1 53 53 GLY H H 53 8.239 8.239 8.071 0.168 25483 4810 1 10 . 1 1 54 54 ARG N N 54 119.453 119.453 118.952 0.501 25483 4811 1 10 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.065 0.588 25483 4812 1 10 . 1 1 54 54 ARG C C 54 174.144 174.144 175.727 -1.583 25483 4813 1 10 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.651 -1.991 25483 4814 1 10 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.309 4.946 25483 4815 1 10 . 1 1 54 54 ARG H H 54 8.309 8.309 8.332 -0.023 25483 4816 1 10 . 1 1 55 55 ASN N N 55 112.521 112.521 117.550 -5.029 25483 4817 1 10 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.838 -0.145 25483 4818 1 10 . 1 1 55 55 ASN C C 55 175.197 175.197 174.274 0.923 25483 4819 1 10 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.758 -1.077 25483 4820 1 10 . 1 1 55 55 ASN CB C 55 39.468 39.468 39.194 0.274 25483 4821 1 10 . 1 1 55 55 ASN H H 55 8.154 8.154 8.395 -0.241 25483 4822 1 10 . 1 1 56 56 THR N N 56 107.919 107.919 112.855 -4.936 25483 4823 1 10 . 1 1 56 56 THR HA H 56 4.356 4.356 4.229 0.127 25483 4824 1 10 . 1 1 56 56 THR C C 56 172.477 172.477 173.734 -1.257 25483 4825 1 10 . 1 1 56 56 THR CA C 56 59.438 59.438 61.931 -2.493 25483 4826 1 10 . 1 1 56 56 THR CB C 56 70.636 70.636 69.528 1.108 25483 4827 1 10 . 1 1 56 56 THR H H 56 6.778 6.778 7.454 -0.676 25483 4828 1 10 . 1 1 57 57 PHE N N 57 117.789 117.789 118.604 -0.815 25483 4829 1 10 . 1 1 57 57 PHE HA H 57 4.725 4.725 4.995 -0.270 25483 4830 1 10 . 1 1 57 57 PHE C C 57 174.241 174.241 173.053 1.188 25483 4831 1 10 . 1 1 57 57 PHE CA C 57 55.088 55.088 53.489 1.599 25483 4832 1 10 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.400 5.106 25483 4833 1 10 . 1 1 57 57 PHE H H 57 8.469 8.469 6.816 1.653 25483 4834 1 10 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.571 1.042 25483 4835 1 10 . 1 1 58 58 PRO C C 58 177.062 177.062 176.021 1.041 25483 4836 1 10 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.813 0.369 25483 4837 1 10 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.012 3.449 25483 4838 1 10 . 1 1 59 59 GLN N N 59 112.113 112.113 116.481 -4.368 25483 4839 1 10 . 1 1 59 59 GLN HA H 59 4.820 4.820 5.266 -0.446 25483 4840 1 10 . 1 1 59 59 GLN C C 59 175.655 175.655 175.810 -0.155 25483 4841 1 10 . 1 1 59 59 GLN CA C 59 55.168 55.168 53.809 1.359 25483 4842 1 10 . 1 1 59 59 GLN CB C 59 31.479 31.479 31.765 -0.286 25483 4843 1 10 . 1 1 59 59 GLN H H 59 8.041 8.041 8.206 -0.165 25483 4844 1 10 . 1 1 60 60 ILE N N 60 123.134 123.134 121.228 1.906 25483 4845 1 10 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.773 0.185 25483 4846 1 10 . 1 1 60 60 ILE C C 60 174.350 174.350 174.724 -0.374 25483 4847 1 10 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.127 2.047 25483 4848 1 10 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.350 1.478 25483 4849 1 10 . 1 1 60 60 ILE H H 60 8.940 8.940 7.918 1.022 25483 4850 1 10 . 1 1 61 61 PHE N N 61 128.163 128.163 122.065 6.098 25483 4851 1 10 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.765 0.628 25483 4852 1 10 . 1 1 61 61 PHE C C 61 174.659 174.659 174.501 0.158 25483 4853 1 10 . 1 1 61 61 PHE CA C 61 56.646 56.646 57.066 -0.421 25483 4854 1 10 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.788 -2.053 25483 4855 1 10 . 1 1 61 61 PHE H H 61 9.645 9.645 8.469 1.176 25483 4856 1 10 . 1 1 62 62 ILE N N 62 122.592 122.592 118.373 4.219 25483 4857 1 10 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.719 -0.089 25483 4858 1 10 . 1 1 62 62 ILE C C 62 175.360 175.360 175.822 -0.462 25483 4859 1 10 . 1 1 62 62 ILE CA C 62 61.008 61.008 60.044 0.964 25483 4860 1 10 . 1 1 62 62 ILE CB C 62 39.569 39.569 39.823 -0.254 25483 4861 1 10 . 1 1 62 62 ILE H H 62 9.066 9.066 8.152 0.914 25483 4862 1 10 . 1 1 63 63 GLY N N 63 116.263 116.263 118.975 -2.712 25483 4863 1 10 . 1 1 63 63 GLY C C 63 175.630 175.630 174.562 1.068 25483 4864 1 10 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.584 0.669 25483 4865 1 10 . 1 1 63 63 GLY H H 63 9.307 9.307 8.428 0.879 25483 4866 1 10 . 1 1 64 64 SER N N 64 122.053 122.053 119.660 2.393 25483 4867 1 10 . 1 1 64 64 SER HA H 64 4.566 4.566 4.725 -0.159 25483 4868 1 10 . 1 1 64 64 SER C C 64 173.891 173.891 174.137 -0.246 25483 4869 1 10 . 1 1 64 64 SER CA C 64 59.071 59.071 57.979 1.092 25483 4870 1 10 . 1 1 64 64 SER CB C 64 63.895 63.895 63.610 0.285 25483 4871 1 10 . 1 1 64 64 SER H H 64 9.236 9.236 8.583 0.653 25483 4872 1 10 . 1 1 65 65 VAL N N 65 124.553 124.553 121.418 3.135 25483 4873 1 10 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.380 -0.303 25483 4874 1 10 . 1 1 65 65 VAL C C 65 175.294 175.294 174.380 0.914 25483 4875 1 10 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.043 1.692 25483 4876 1 10 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.908 -1.830 25483 4877 1 10 . 1 1 65 65 VAL H H 65 8.494 8.494 7.747 0.747 25483 4878 1 10 . 1 1 66 66 HIS N N 66 102.561 102.561 123.933 -21.372 25483 4879 1 10 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.298 0.064 25483 4880 1 10 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.332 -0.719 25483 4881 1 10 . 1 1 66 66 HIS CB C 66 30.941 30.941 31.362 -0.421 25483 4882 1 10 . 1 1 66 66 HIS H H 66 8.966 8.966 8.540 0.426 25483 4883 1 10 . 1 1 67 67 VAL N N 67 130.151 130.151 124.134 6.017 25483 4884 1 10 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.327 -0.897 25483 4885 1 10 . 1 1 67 67 VAL C C 67 174.677 174.677 175.409 -0.732 25483 4886 1 10 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.821 3.208 25483 4887 1 10 . 1 1 67 67 VAL CB C 67 32.426 32.426 35.545 -3.119 25483 4888 1 10 . 1 1 67 67 VAL H H 67 8.214 8.214 7.254 0.960 25483 4889 1 10 . 1 1 68 68 GLY N N 68 102.768 102.768 114.999 -12.231 25483 4890 1 10 . 1 1 68 68 GLY C C 68 173.023 173.023 173.760 -0.737 25483 4891 1 10 . 1 1 68 68 GLY CA C 68 43.780 43.780 46.612 -2.832 25483 4892 1 10 . 1 1 68 68 GLY H H 68 6.436 6.436 8.863 -2.427 25483 4893 1 10 . 1 1 69 69 GLY N N 69 110.061 110.061 105.981 4.080 25483 4894 1 10 . 1 1 69 69 GLY C C 69 175.375 175.375 174.390 0.985 25483 4895 1 10 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.757 -0.834 25483 4896 1 10 . 1 1 69 69 GLY H H 69 9.004 9.004 7.335 1.669 25483 4897 1 10 . 1 1 70 70 SER N N 70 113.592 113.592 116.115 -2.523 25483 4898 1 10 . 1 1 70 70 SER HA H 70 3.894 3.894 4.011 -0.117 25483 4899 1 10 . 1 1 70 70 SER CA C 70 62.816 62.816 62.227 0.589 25483 4900 1 10 . 1 1 70 70 SER H H 70 8.088 8.088 8.593 -0.505 25483 4901 1 10 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.199 0.205 25483 4902 1 10 . 1 1 71 71 ASP C C 71 179.115 179.115 178.103 1.012 25483 4903 1 10 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.389 0.221 25483 4904 1 10 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.576 -1.251 25483 4905 1 10 . 1 1 72 72 ASP N N 72 119.325 119.325 119.893 -0.568 25483 4906 1 10 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.467 -0.121 25483 4907 1 10 . 1 1 72 72 ASP C C 72 177.816 177.816 178.555 -0.739 25483 4908 1 10 . 1 1 72 72 ASP CA C 72 57.213 57.213 57.341 -0.128 25483 4909 1 10 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.892 0.517 25483 4910 1 10 . 1 1 72 72 ASP H H 72 7.232 7.232 7.632 -0.400 25483 4911 1 10 . 1 1 73 73 LEU N N 73 121.336 121.336 121.655 -0.319 25483 4912 1 10 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.822 -0.049 25483 4913 1 10 . 1 1 73 73 LEU C C 73 177.957 177.957 178.394 -0.437 25483 4914 1 10 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.201 0.153 25483 4915 1 10 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.999 0.177 25483 4916 1 10 . 1 1 73 73 LEU H H 73 7.789 7.789 7.971 -0.182 25483 4917 1 10 . 1 1 74 74 TYR N N 74 116.570 116.570 117.496 -0.926 25483 4918 1 10 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.142 -0.393 25483 4919 1 10 . 1 1 74 74 TYR C C 74 178.275 178.275 177.763 0.512 25483 4920 1 10 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.563 1.135 25483 4921 1 10 . 1 1 74 74 TYR CB C 74 37.511 37.511 38.103 -0.592 25483 4922 1 10 . 1 1 74 74 TYR H H 74 8.318 8.318 8.365 -0.047 25483 4923 1 10 . 1 1 75 75 ALA N N 75 122.593 122.593 122.689 -0.096 25483 4924 1 10 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.963 0.292 25483 4925 1 10 . 1 1 75 75 ALA C C 75 180.162 180.162 179.433 0.729 25483 4926 1 10 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.182 0.421 25483 4927 1 10 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.143 -0.514 25483 4928 1 10 . 1 1 75 75 ALA H H 75 8.082 8.082 7.680 0.402 25483 4929 1 10 . 1 1 76 76 LEU N N 76 116.647 116.647 117.641 -0.994 25483 4930 1 10 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.891 0.164 25483 4931 1 10 . 1 1 76 76 LEU C C 76 179.538 179.538 178.877 0.661 25483 4932 1 10 . 1 1 76 76 LEU CA C 76 57.856 57.856 58.013 -0.157 25483 4933 1 10 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.349 1.327 25483 4934 1 10 . 1 1 76 76 LEU H H 76 7.389 7.389 8.039 -0.650 25483 4935 1 10 . 1 1 77 77 GLU N N 77 121.342 121.342 119.626 1.716 25483 4936 1 10 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.962 0.635 25483 4937 1 10 . 1 1 77 77 GLU C C 77 179.674 179.674 178.883 0.791 25483 4938 1 10 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.509 -1.478 25483 4939 1 10 . 1 1 77 77 GLU CB C 77 28.117 28.117 28.902 -0.785 25483 4940 1 10 . 1 1 77 77 GLU H H 77 7.461 7.461 7.782 -0.321 25483 4941 1 10 . 1 1 78 78 ASP N N 78 123.339 123.339 119.729 3.610 25483 4942 1 10 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.507 -0.056 25483 4943 1 10 . 1 1 78 78 ASP C C 78 178.412 178.412 178.316 0.096 25483 4944 1 10 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.786 0.684 25483 4945 1 10 . 1 1 78 78 ASP CB C 78 40.544 40.544 41.175 -0.631 25483 4946 1 10 . 1 1 78 78 ASP H H 78 8.650 8.650 7.725 0.925 25483 4947 1 10 . 1 1 79 79 GLU N N 79 115.360 115.360 117.483 -2.123 25483 4948 1 10 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.177 0.155 25483 4949 1 10 . 1 1 79 79 GLU C C 79 176.861 176.861 177.780 -0.919 25483 4950 1 10 . 1 1 79 79 GLU CA C 79 56.315 56.315 56.879 -0.564 25483 4951 1 10 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.258 0.443 25483 4952 1 10 . 1 1 79 79 GLU H H 79 7.791 7.791 7.932 -0.141 25483 4953 1 10 . 1 1 80 80 GLY N N 80 108.851 108.851 107.560 1.291 25483 4954 1 10 . 1 1 80 80 GLY C C 80 176.085 176.085 174.121 1.964 25483 4955 1 10 . 1 1 80 80 GLY CA C 80 46.241 46.241 44.968 1.272 25483 4956 1 10 . 1 1 80 80 GLY H H 80 8.078 8.078 8.311 -0.233 25483 4957 1 10 . 1 1 81 81 LYS N N 81 116.858 116.858 119.244 -2.386 25483 4958 1 10 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.665 -0.220 25483 4959 1 10 . 1 1 81 81 LYS C C 81 176.789 176.789 175.682 1.107 25483 4960 1 10 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.231 1.337 25483 4961 1 10 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.312 2.692 25483 4962 1 10 . 1 1 81 81 LYS H H 81 8.216 8.216 8.378 -0.162 25483 4963 1 10 . 1 1 82 82 LEU N N 82 122.543 122.543 116.288 6.255 25483 4964 1 10 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.206 -0.165 25483 4965 1 10 . 1 1 82 82 LEU C C 82 177.466 177.466 177.492 -0.026 25483 4966 1 10 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.091 0.406 25483 4967 1 10 . 1 1 82 82 LEU CB C 82 40.489 40.489 42.077 -1.588 25483 4968 1 10 . 1 1 82 82 LEU H H 82 7.516 7.516 7.835 -0.319 25483 4969 1 10 . 1 1 83 83 ASP N N 83 119.643 119.643 120.652 -1.009 25483 4970 1 10 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.281 0.025 25483 4971 1 10 . 1 1 83 83 ASP C C 83 178.744 178.744 178.036 0.708 25483 4972 1 10 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.555 1.183 25483 4973 1 10 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.409 -0.455 25483 4974 1 10 . 1 1 83 83 ASP H H 83 8.662 8.662 8.620 0.042 25483 4975 1 10 . 1 1 84 84 SER N N 84 113.208 113.208 115.582 -2.374 25483 4976 1 10 . 1 1 84 84 SER HA H 84 4.266 4.266 4.284 -0.018 25483 4977 1 10 . 1 1 84 84 SER C C 84 177.581 177.581 176.725 0.856 25483 4978 1 10 . 1 1 84 84 SER CA C 84 61.483 61.483 61.211 0.272 25483 4979 1 10 . 1 1 84 84 SER CB C 84 62.667 62.667 62.840 -0.173 25483 4980 1 10 . 1 1 84 84 SER H H 84 8.425 8.425 8.584 -0.159 25483 4981 1 10 . 1 1 85 85 LEU N N 85 126.393 126.393 123.322 3.071 25483 4982 1 10 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.279 0.076 25483 4983 1 10 . 1 1 85 85 LEU C C 85 178.692 178.692 178.151 0.541 25483 4984 1 10 . 1 1 85 85 LEU CA C 85 58.409 58.409 57.821 0.588 25483 4985 1 10 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.037 -0.522 25483 4986 1 10 . 1 1 85 85 LEU H H 85 7.577 7.577 7.640 -0.063 25483 4987 1 10 . 1 1 86 86 LEU N N 86 117.833 117.833 114.214 3.619 25483 4988 1 10 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.274 -0.391 25483 4989 1 10 . 1 1 86 86 LEU C C 86 177.470 177.470 178.297 -0.827 25483 4990 1 10 . 1 1 86 86 LEU CA C 86 57.781 57.781 57.041 0.740 25483 4991 1 10 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.176 0.626 25483 4992 1 10 . 1 1 86 86 LEU H H 86 8.406 8.406 8.364 0.042 25483 4993 1 10 . 1 1 87 87 LYS N N 87 113.997 113.997 117.195 -3.198 25483 4994 1 10 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.185 0.204 25483 4995 1 10 . 1 1 87 87 LYS C C 87 178.282 178.282 177.146 1.136 25483 4996 1 10 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.619 -0.285 25483 4997 1 10 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.328 0.585 25483 4998 1 10 . 1 1 87 87 LYS H H 87 7.548 7.548 7.794 -0.246 25483 4999 1 10 . 1 1 88 88 THR N N 88 106.050 106.050 108.439 -2.389 25483 5000 1 10 . 1 1 88 88 THR HA H 88 4.545 4.545 4.442 0.103 25483 5001 1 10 . 1 1 88 88 THR C C 88 176.566 176.566 173.220 3.346 25483 5002 1 10 . 1 1 88 88 THR CA C 88 62.396 62.396 61.963 0.433 25483 5003 1 10 . 1 1 88 88 THR CB C 88 72.438 72.438 71.329 1.109 25483 5004 1 10 . 1 1 88 88 THR H H 88 8.178 8.178 7.717 0.461 25483 5005 1 10 . 1 1 89 89 GLY N N 89 112.811 112.811 110.827 1.984 25483 5006 1 10 . 1 1 89 89 GLY C C 89 171.985 171.985 172.237 -0.252 25483 5007 1 10 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.117 1.699 25483 5008 1 10 . 1 1 89 89 GLY H H 89 9.153 9.153 7.961 1.192 25483 5009 1 10 . 1 1 90 90 LYS N N 90 117.650 117.650 122.779 -5.129 25483 5010 1 10 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.665 -0.155 25483 5011 1 10 . 1 1 90 90 LYS C C 90 174.330 174.330 174.529 -0.199 25483 5012 1 10 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.583 0.026 25483 5013 1 10 . 1 1 90 90 LYS CB C 90 35.701 35.701 34.992 0.709 25483 5014 1 10 . 1 1 90 90 LYS H H 90 7.940 7.940 8.043 -0.103 25483 5015 1 10 . 1 1 91 91 LEU N N 91 123.149 123.149 116.907 6.242 25483 5016 1 10 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.658 -0.189 25483 5017 1 10 . 1 1 91 91 LEU C C 91 175.848 175.848 176.978 -1.130 25483 5018 1 10 . 1 1 91 91 LEU CA C 91 54.600 54.600 54.987 -0.387 25483 5019 1 10 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.039 0.972 25483 5020 1 10 . 1 1 91 91 LEU H H 91 8.501 8.501 8.125 0.376 25483 5021 1 11 . 1 1 3 3 GLY N N 3 110.312 110.312 107.036 3.276 25483 5022 1 11 . 1 1 3 3 GLY C C 3 174.169 174.169 173.152 1.017 25483 5023 1 11 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.961 0.514 25483 5024 1 11 . 1 1 3 3 GLY H H 3 8.679 8.679 7.876 0.803 25483 5025 1 11 . 1 1 4 4 SER N N 4 115.617 115.617 113.389 2.228 25483 5026 1 11 . 1 1 4 4 SER HA H 4 4.499 4.499 4.829 -0.330 25483 5027 1 11 . 1 1 4 4 SER C C 4 174.408 174.408 172.891 1.517 25483 5028 1 11 . 1 1 4 4 SER CA C 4 58.541 58.541 58.015 0.526 25483 5029 1 11 . 1 1 4 4 SER CB C 4 63.920 63.920 64.174 -0.255 25483 5030 1 11 . 1 1 4 4 SER H H 4 8.237 8.237 8.072 0.165 25483 5031 1 11 . 1 1 5 5 MET N N 5 121.390 121.390 121.191 0.199 25483 5032 1 11 . 1 1 5 5 MET HA H 5 4.702 4.702 4.961 -0.259 25483 5033 1 11 . 1 1 5 5 MET C C 5 176.122 176.122 174.884 1.238 25483 5034 1 11 . 1 1 5 5 MET CA C 5 55.600 55.600 54.462 1.138 25483 5035 1 11 . 1 1 5 5 MET CB C 5 34.357 34.357 34.115 0.242 25483 5036 1 11 . 1 1 5 5 MET H H 5 8.309 8.309 8.462 -0.153 25483 5037 1 11 . 1 1 6 6 VAL N N 6 117.990 117.990 119.289 -1.299 25483 5038 1 11 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.167 0.034 25483 5039 1 11 . 1 1 6 6 VAL C C 6 174.450 174.450 175.048 -0.598 25483 5040 1 11 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.914 -0.496 25483 5041 1 11 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.273 0.312 25483 5042 1 11 . 1 1 6 6 VAL H H 6 8.175 8.175 8.605 -0.430 25483 5043 1 11 . 1 1 7 7 ASP N N 7 121.785 121.785 118.506 3.279 25483 5044 1 11 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.740 -0.172 25483 5045 1 11 . 1 1 7 7 ASP C C 7 175.866 175.866 174.853 1.013 25483 5046 1 11 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.449 1.719 25483 5047 1 11 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.108 -1.509 25483 5048 1 11 . 1 1 7 7 ASP H H 7 8.332 8.332 8.324 0.008 25483 5049 1 11 . 1 1 8 8 VAL N N 8 124.023 124.023 122.301 1.722 25483 5050 1 11 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.992 0.006 25483 5051 1 11 . 1 1 8 8 VAL C C 8 174.859 174.859 176.042 -1.183 25483 5052 1 11 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.324 -0.863 25483 5053 1 11 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.620 0.701 25483 5054 1 11 . 1 1 8 8 VAL H H 8 8.658 8.658 8.572 0.086 25483 5055 1 11 . 1 1 9 9 ILE N N 9 129.744 129.744 126.109 3.635 25483 5056 1 11 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.695 0.316 25483 5057 1 11 . 1 1 9 9 ILE C C 9 174.323 174.323 174.036 0.287 25483 5058 1 11 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.630 -0.933 25483 5059 1 11 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.488 -1.209 25483 5060 1 11 . 1 1 9 9 ILE H H 9 9.306 9.306 9.148 0.158 25483 5061 1 11 . 1 1 10 10 ILE N N 10 123.657 123.657 123.221 0.436 25483 5062 1 11 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.294 0.105 25483 5063 1 11 . 1 1 10 10 ILE C C 10 173.066 173.066 173.985 -0.919 25483 5064 1 11 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.757 -0.268 25483 5065 1 11 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.172 -0.375 25483 5066 1 11 . 1 1 10 10 ILE H H 10 8.734 8.734 9.003 -0.269 25483 5067 1 11 . 1 1 11 11 TYR N N 11 128.973 128.973 129.417 -0.444 25483 5068 1 11 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.947 0.740 25483 5069 1 11 . 1 1 11 11 TYR C C 11 176.756 176.756 174.742 2.014 25483 5070 1 11 . 1 1 11 11 TYR CA C 11 57.408 57.408 57.902 -0.494 25483 5071 1 11 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.070 2.214 25483 5072 1 11 . 1 1 11 11 TYR H H 11 9.292 9.292 8.806 0.486 25483 5073 1 11 . 1 1 12 12 THR N N 12 112.725 112.725 117.074 -4.349 25483 5074 1 11 . 1 1 12 12 THR HA H 12 5.732 5.732 4.499 1.233 25483 5075 1 11 . 1 1 12 12 THR C C 12 172.866 172.866 172.960 -0.094 25483 5076 1 11 . 1 1 12 12 THR CA C 12 59.671 59.671 61.320 -1.649 25483 5077 1 11 . 1 1 12 12 THR CB C 12 72.735 72.735 71.211 1.524 25483 5078 1 11 . 1 1 12 12 THR H H 12 9.253 9.253 7.950 1.303 25483 5079 1 11 . 1 1 13 13 ARG N N 13 116.857 116.857 122.087 -5.230 25483 5080 1 11 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.460 0.325 25483 5081 1 11 . 1 1 13 13 ARG C C 13 173.407 173.407 175.123 -1.716 25483 5082 1 11 . 1 1 13 13 ARG CA C 13 53.254 53.254 54.487 -1.233 25483 5083 1 11 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.340 1.257 25483 5084 1 11 . 1 1 13 13 ARG H H 13 8.695 8.695 8.469 0.226 25483 5085 1 11 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.650 -0.489 25483 5086 1 11 . 1 1 14 14 PRO C C 14 177.642 177.642 176.696 0.946 25483 5087 1 11 . 1 1 14 14 PRO CA C 14 57.978 57.978 62.991 -5.013 25483 5088 1 11 . 1 1 14 14 PRO CB C 14 30.197 30.197 30.515 -0.318 25483 5089 1 11 . 1 1 15 15 GLY N N 15 108.958 108.958 111.525 -2.567 25483 5090 1 11 . 1 1 15 15 GLY C C 15 173.520 173.520 173.853 -0.333 25483 5091 1 11 . 1 1 15 15 GLY CA C 15 46.033 46.033 44.969 1.063 25483 5092 1 11 . 1 1 15 15 GLY H H 15 8.534 8.534 8.603 -0.069 25483 5093 1 11 . 1 1 16 16 CYS N N 16 122.701 122.701 120.754 1.947 25483 5094 1 11 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.339 0.696 25483 5095 1 11 . 1 1 16 16 CYS C C 16 175.994 175.994 173.338 2.656 25483 5096 1 11 . 1 1 16 16 CYS CA C 16 55.218 55.218 60.203 -4.985 25483 5097 1 11 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.562 4.152 25483 5098 1 11 . 1 1 16 16 CYS H H 16 7.476 7.476 8.884 -1.408 25483 5099 1 11 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.343 -0.003 25483 5100 1 11 . 1 1 17 17 PRO C C 17 178.531 178.531 176.126 2.405 25483 5101 1 11 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.683 1.848 25483 5102 1 11 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.142 -0.003 25483 5103 1 11 . 1 1 18 18 TYR N N 18 121.799 121.799 117.653 4.146 25483 5104 1 11 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.587 -0.165 25483 5105 1 11 . 1 1 18 18 TYR C C 18 178.508 178.508 176.215 2.293 25483 5106 1 11 . 1 1 18 18 TYR CA C 18 61.076 61.076 57.402 3.674 25483 5107 1 11 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.880 1.553 25483 5108 1 11 . 1 1 18 18 TYR H H 18 8.148 8.148 8.571 -0.423 25483 5109 1 11 . 1 1 19 19 CYS N N 19 122.966 122.966 119.957 3.009 25483 5110 1 11 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.683 -0.681 25483 5111 1 11 . 1 1 19 19 CYS C C 19 177.642 177.642 175.254 2.388 25483 5112 1 11 . 1 1 19 19 CYS CA C 19 64.471 64.471 55.862 8.609 25483 5113 1 11 . 1 1 19 19 CYS CB C 19 31.017 31.017 25.617 5.400 25483 5114 1 11 . 1 1 19 19 CYS H H 19 7.833 7.833 7.764 0.069 25483 5115 1 11 . 1 1 20 20 ALA N N 20 121.738 121.738 125.292 -3.554 25483 5116 1 11 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.290 -0.140 25483 5117 1 11 . 1 1 20 20 ALA C C 20 180.531 180.531 179.057 1.474 25483 5118 1 11 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.421 1.163 25483 5119 1 11 . 1 1 20 20 ALA CB C 20 18.029 18.029 19.148 -1.119 25483 5120 1 11 . 1 1 20 20 ALA H H 20 7.080 7.080 7.984 -0.904 25483 5121 1 11 . 1 1 21 21 ARG N N 21 119.812 119.812 119.732 0.080 25483 5122 1 11 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.142 0.100 25483 5123 1 11 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.290 -1.365 25483 5124 1 11 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.774 0.094 25483 5125 1 11 . 1 1 21 21 ARG H H 21 8.039 8.039 8.061 -0.022 25483 5126 1 11 . 1 1 22 22 ALA N N 22 124.459 124.459 120.460 3.999 25483 5127 1 11 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.998 0.142 25483 5128 1 11 . 1 1 22 22 ALA C C 22 178.267 178.267 179.310 -1.043 25483 5129 1 11 . 1 1 22 22 ALA CA C 22 55.671 55.671 55.193 0.478 25483 5130 1 11 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.242 0.983 25483 5131 1 11 . 1 1 22 22 ALA H H 22 7.768 7.768 8.503 -0.735 25483 5132 1 11 . 1 1 23 23 LYS N N 23 116.014 116.014 118.246 -2.232 25483 5133 1 11 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.538 -0.237 25483 5134 1 11 . 1 1 23 23 LYS C C 23 177.995 177.995 178.673 -0.678 25483 5135 1 11 . 1 1 23 23 LYS CA C 23 60.722 60.722 58.397 2.325 25483 5136 1 11 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.992 -0.342 25483 5137 1 11 . 1 1 23 23 LYS H H 23 7.984 7.984 7.455 0.529 25483 5138 1 11 . 1 1 24 24 ALA N N 24 120.042 120.042 122.174 -2.132 25483 5139 1 11 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.058 0.152 25483 5140 1 11 . 1 1 24 24 ALA C C 24 180.610 180.610 179.763 0.847 25483 5141 1 11 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.905 -0.040 25483 5142 1 11 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.127 -0.191 25483 5143 1 11 . 1 1 24 24 ALA H H 24 8.040 8.040 8.016 0.024 25483 5144 1 11 . 1 1 25 25 LEU N N 25 119.514 119.514 119.225 0.289 25483 5145 1 11 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.901 0.251 25483 5146 1 11 . 1 1 25 25 LEU C C 25 177.834 177.834 178.473 -0.639 25483 5147 1 11 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.751 -0.063 25483 5148 1 11 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.806 -1.071 25483 5149 1 11 . 1 1 25 25 LEU H H 25 7.150 7.150 7.539 -0.389 25483 5150 1 11 . 1 1 26 26 LEU N N 26 117.253 117.253 117.061 0.192 25483 5151 1 11 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.869 -0.116 25483 5152 1 11 . 1 1 26 26 LEU C C 26 178.553 178.553 178.792 -0.239 25483 5153 1 11 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.610 0.865 25483 5154 1 11 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.306 -0.242 25483 5155 1 11 . 1 1 26 26 LEU H H 26 7.576 7.576 7.577 -0.001 25483 5156 1 11 . 1 1 27 27 ALA N N 27 119.606 119.606 118.575 1.031 25483 5157 1 11 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.191 0.150 25483 5158 1 11 . 1 1 27 27 ALA C C 27 182.219 182.219 178.574 3.645 25483 5159 1 11 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.176 1.150 25483 5160 1 11 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.498 -0.390 25483 5161 1 11 . 1 1 27 27 ALA H H 27 8.629 8.629 7.372 1.257 25483 5162 1 11 . 1 1 28 28 ARG N N 28 121.081 121.081 119.306 1.775 25483 5163 1 11 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.195 -0.030 25483 5164 1 11 . 1 1 28 28 ARG C C 28 178.659 178.659 178.214 0.445 25483 5165 1 11 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.076 1.105 25483 5166 1 11 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.728 -0.808 25483 5167 1 11 . 1 1 28 28 ARG H H 28 7.992 7.992 7.807 0.185 25483 5168 1 11 . 1 1 29 29 LYS N N 29 115.790 115.790 117.597 -1.807 25483 5169 1 11 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.340 -0.106 25483 5170 1 11 . 1 1 29 29 LYS C C 29 176.666 176.666 177.107 -0.441 25483 5171 1 11 . 1 1 29 29 LYS CA C 29 54.945 54.945 56.117 -1.172 25483 5172 1 11 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.398 -0.957 25483 5173 1 11 . 1 1 29 29 LYS H H 29 7.663 7.663 7.658 0.005 25483 5174 1 11 . 1 1 30 30 GLY N N 30 107.767 107.767 108.666 -0.899 25483 5175 1 11 . 1 1 30 30 GLY C C 30 174.014 174.014 174.545 -0.531 25483 5176 1 11 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.598 -0.193 25483 5177 1 11 . 1 1 30 30 GLY H H 30 7.930 7.930 7.553 0.377 25483 5178 1 11 . 1 1 31 31 ALA N N 31 122.192 122.192 121.084 1.108 25483 5179 1 11 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.280 0.223 25483 5180 1 11 . 1 1 31 31 ALA C C 31 176.691 176.691 176.751 -0.060 25483 5181 1 11 . 1 1 31 31 ALA CA C 31 51.631 51.631 51.964 -0.333 25483 5182 1 11 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.610 -0.672 25483 5183 1 11 . 1 1 31 31 ALA H H 31 7.844 7.844 7.778 0.066 25483 5184 1 11 . 1 1 32 32 GLU N N 32 123.903 123.903 118.887 5.016 25483 5185 1 11 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.455 -0.220 25483 5186 1 11 . 1 1 32 32 GLU C C 32 176.080 176.080 175.308 0.772 25483 5187 1 11 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.848 -0.113 25483 5188 1 11 . 1 1 32 32 GLU CB C 32 29.777 29.777 32.014 -2.237 25483 5189 1 11 . 1 1 32 32 GLU H H 32 8.337 8.337 8.581 -0.244 25483 5190 1 11 . 1 1 33 33 PHE N N 33 116.634 116.634 113.999 2.635 25483 5191 1 11 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.118 0.114 25483 5192 1 11 . 1 1 33 33 PHE C C 33 173.397 173.397 173.669 -0.272 25483 5193 1 11 . 1 1 33 33 PHE CA C 33 55.221 55.221 56.519 -1.298 25483 5194 1 11 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.273 0.235 25483 5195 1 11 . 1 1 33 33 PHE H H 33 7.640 7.640 7.545 0.095 25483 5196 1 11 . 1 1 34 34 ASN N N 34 120.133 120.133 120.446 -0.313 25483 5197 1 11 . 1 1 34 34 ASN HA H 34 4.971 4.971 5.006 -0.035 25483 5198 1 11 . 1 1 34 34 ASN C C 34 173.199 173.199 174.254 -1.055 25483 5199 1 11 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.194 -0.014 25483 5200 1 11 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.588 -1.748 25483 5201 1 11 . 1 1 34 34 ASN H H 34 8.921 8.921 8.447 0.474 25483 5202 1 11 . 1 1 35 35 GLU N N 35 126.204 126.204 124.162 2.042 25483 5203 1 11 . 1 1 35 35 GLU HA H 35 5.178 5.178 5.260 -0.082 25483 5204 1 11 . 1 1 35 35 GLU C C 35 175.185 175.185 175.731 -0.546 25483 5205 1 11 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.162 -1.611 25483 5206 1 11 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.189 0.248 25483 5207 1 11 . 1 1 35 35 GLU H H 35 8.758 8.758 8.696 0.062 25483 5208 1 11 . 1 1 36 36 ILE N N 36 130.012 130.012 121.634 8.378 25483 5209 1 11 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.123 0.038 25483 5210 1 11 . 1 1 36 36 ILE C C 36 174.987 174.987 174.683 0.304 25483 5211 1 11 . 1 1 36 36 ILE CA C 36 60.183 60.183 58.158 2.025 25483 5212 1 11 . 1 1 36 36 ILE CB C 36 40.273 40.273 38.993 1.280 25483 5213 1 11 . 1 1 36 36 ILE H H 36 9.080 9.080 7.970 1.110 25483 5214 1 11 . 1 1 37 37 ASP N N 37 125.921 125.921 126.142 -0.221 25483 5215 1 11 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.521 0.481 25483 5216 1 11 . 1 1 37 37 ASP C C 37 176.847 176.847 174.870 1.977 25483 5217 1 11 . 1 1 37 37 ASP CA C 37 52.878 52.878 53.982 -1.104 25483 5218 1 11 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.498 -1.208 25483 5219 1 11 . 1 1 37 37 ASP H H 37 8.515 8.515 8.522 -0.007 25483 5220 1 11 . 1 1 38 38 ALA N N 38 130.525 130.525 125.203 5.322 25483 5221 1 11 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.530 0.128 25483 5222 1 11 . 1 1 38 38 ALA C C 38 175.507 175.507 176.756 -1.249 25483 5223 1 11 . 1 1 38 38 ALA CA C 38 51.920 51.920 50.827 1.093 25483 5224 1 11 . 1 1 38 38 ALA CB C 38 20.612 20.612 21.263 -0.651 25483 5225 1 11 . 1 1 38 38 ALA H H 38 8.845 8.845 7.893 0.952 25483 5226 1 11 . 1 1 39 39 SER N N 39 111.653 111.653 111.554 0.099 25483 5227 1 11 . 1 1 39 39 SER HA H 39 4.425 4.425 4.133 0.292 25483 5228 1 11 . 1 1 39 39 SER C C 39 176.988 176.988 174.298 2.690 25483 5229 1 11 . 1 1 39 39 SER CA C 39 59.504 59.504 59.253 0.251 25483 5230 1 11 . 1 1 39 39 SER CB C 39 64.768 64.768 62.566 2.202 25483 5231 1 11 . 1 1 39 39 SER H H 39 8.727 8.727 9.085 -0.358 25483 5232 1 11 . 1 1 40 40 ALA N N 40 124.164 124.164 121.168 2.996 25483 5233 1 11 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.523 -0.294 25483 5234 1 11 . 1 1 40 40 ALA C C 40 178.039 178.039 177.086 0.953 25483 5235 1 11 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.509 2.338 25483 5236 1 11 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.219 0.159 25483 5237 1 11 . 1 1 40 40 ALA H H 40 7.543 7.543 8.321 -0.778 25483 5238 1 11 . 1 1 41 41 THR N N 41 106.060 106.060 113.780 -7.720 25483 5239 1 11 . 1 1 41 41 THR HA H 41 5.006 5.006 4.838 0.168 25483 5240 1 11 . 1 1 41 41 THR C C 41 173.200 173.200 173.083 0.117 25483 5241 1 11 . 1 1 41 41 THR CA C 41 57.856 57.856 58.802 -0.946 25483 5242 1 11 . 1 1 41 41 THR CB C 41 70.541 70.541 70.522 0.019 25483 5243 1 11 . 1 1 41 41 THR H H 41 7.162 7.162 7.628 -0.466 25483 5244 1 11 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.541 -0.216 25483 5245 1 11 . 1 1 42 42 PRO C C 42 179.534 179.534 177.578 1.956 25483 5246 1 11 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.545 0.262 25483 5247 1 11 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.047 -0.306 25483 5248 1 11 . 1 1 43 43 GLU N N 43 118.723 118.723 119.140 -0.417 25483 5249 1 11 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.121 -0.013 25483 5250 1 11 . 1 1 43 43 GLU C C 43 179.692 179.692 178.224 1.468 25483 5251 1 11 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.052 1.669 25483 5252 1 11 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.645 -1.095 25483 5253 1 11 . 1 1 43 43 GLU H H 43 9.124 9.124 8.049 1.075 25483 5254 1 11 . 1 1 44 44 LEU N N 44 121.970 121.970 120.482 1.488 25483 5255 1 11 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.147 0.193 25483 5256 1 11 . 1 1 44 44 LEU C C 44 178.924 178.924 178.868 0.056 25483 5257 1 11 . 1 1 44 44 LEU CA C 44 57.472 57.472 58.337 -0.865 25483 5258 1 11 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.737 0.695 25483 5259 1 11 . 1 1 44 44 LEU H H 44 7.838 7.838 7.669 0.169 25483 5260 1 11 . 1 1 45 45 ARG N N 45 122.130 122.130 119.426 2.704 25483 5261 1 11 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.973 0.120 25483 5262 1 11 . 1 1 45 45 ARG C C 45 178.955 178.955 178.226 0.729 25483 5263 1 11 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.310 0.814 25483 5264 1 11 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.094 0.053 25483 5265 1 11 . 1 1 45 45 ARG H H 45 7.762 7.762 7.737 0.025 25483 5266 1 11 . 1 1 46 46 ALA N N 46 121.165 121.165 121.008 0.157 25483 5267 1 11 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.258 -0.122 25483 5268 1 11 . 1 1 46 46 ALA C C 46 179.912 179.912 179.605 0.307 25483 5269 1 11 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.511 0.434 25483 5270 1 11 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.380 -0.668 25483 5271 1 11 . 1 1 46 46 ALA H H 46 8.160 8.160 7.548 0.612 25483 5272 1 11 . 1 1 47 47 GLU N N 47 120.906 120.906 118.786 2.120 25483 5273 1 11 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.136 -0.083 25483 5274 1 11 . 1 1 47 47 GLU C C 47 178.039 178.039 179.646 -1.607 25483 5275 1 11 . 1 1 47 47 GLU CA C 47 59.500 59.500 58.868 0.632 25483 5276 1 11 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.732 0.079 25483 5277 1 11 . 1 1 47 47 GLU H H 47 7.918 7.918 7.980 -0.062 25483 5278 1 11 . 1 1 48 48 MET N N 48 118.645 118.645 116.685 1.960 25483 5279 1 11 . 1 1 48 48 MET HA H 48 2.897 2.897 4.200 -1.303 25483 5280 1 11 . 1 1 48 48 MET C C 48 180.282 180.282 177.467 2.815 25483 5281 1 11 . 1 1 48 48 MET CA C 48 59.540 59.540 58.702 0.838 25483 5282 1 11 . 1 1 48 48 MET CB C 48 33.502 33.502 32.135 1.367 25483 5283 1 11 . 1 1 48 48 MET H H 48 8.047 8.047 8.641 -0.594 25483 5284 1 11 . 1 1 49 49 GLN N N 49 122.104 122.104 118.508 3.596 25483 5285 1 11 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.144 0.195 25483 5286 1 11 . 1 1 49 49 GLN C C 49 178.780 178.780 178.203 0.577 25483 5287 1 11 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.038 0.706 25483 5288 1 11 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.175 0.063 25483 5289 1 11 . 1 1 49 49 GLN H H 49 8.237 8.237 7.813 0.424 25483 5290 1 11 . 1 1 50 50 GLU N N 50 121.947 121.947 120.252 1.695 25483 5291 1 11 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.207 -0.238 25483 5292 1 11 . 1 1 50 50 GLU C C 50 178.863 178.863 178.224 0.639 25483 5293 1 11 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.860 0.271 25483 5294 1 11 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.666 0.053 25483 5295 1 11 . 1 1 50 50 GLU H H 50 8.659 8.659 8.114 0.545 25483 5296 1 11 . 1 1 51 51 ARG N N 51 115.832 115.832 117.479 -1.647 25483 5297 1 11 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.538 -0.478 25483 5298 1 11 . 1 1 51 51 ARG C C 51 177.748 177.748 176.786 0.962 25483 5299 1 11 . 1 1 51 51 ARG CA C 51 58.480 58.480 54.888 3.592 25483 5300 1 11 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.465 0.693 25483 5301 1 11 . 1 1 51 51 ARG H H 51 8.231 8.231 7.877 0.354 25483 5302 1 11 . 1 1 52 52 SER N N 52 109.790 109.790 114.859 -5.069 25483 5303 1 11 . 1 1 52 52 SER HA H 52 3.759 3.759 4.223 -0.464 25483 5304 1 11 . 1 1 52 52 SER C C 52 174.149 174.149 175.805 -1.656 25483 5305 1 11 . 1 1 52 52 SER CA C 52 58.883 58.883 60.587 -1.704 25483 5306 1 11 . 1 1 52 52 SER CB C 52 66.744 66.744 63.435 3.308 25483 5307 1 11 . 1 1 52 52 SER H H 52 8.032 8.032 7.528 0.504 25483 5308 1 11 . 1 1 53 53 GLY N N 53 112.524 112.524 112.137 0.387 25483 5309 1 11 . 1 1 53 53 GLY C C 53 173.690 173.690 174.477 -0.787 25483 5310 1 11 . 1 1 53 53 GLY CA C 53 46.093 46.093 46.223 -0.130 25483 5311 1 11 . 1 1 53 53 GLY H H 53 8.239 8.239 8.533 -0.294 25483 5312 1 11 . 1 1 54 54 ARG N N 54 119.453 119.453 126.279 -6.826 25483 5313 1 11 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.337 0.316 25483 5314 1 11 . 1 1 54 54 ARG C C 54 174.144 174.144 175.622 -1.478 25483 5315 1 11 . 1 1 54 54 ARG CA C 54 54.660 54.660 54.528 0.132 25483 5316 1 11 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.362 4.893 25483 5317 1 11 . 1 1 54 54 ARG H H 54 8.309 8.309 8.145 0.164 25483 5318 1 11 . 1 1 55 55 ASN N N 55 112.521 112.521 124.431 -11.910 25483 5319 1 11 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.731 -0.038 25483 5320 1 11 . 1 1 55 55 ASN C C 55 175.197 175.197 175.172 0.025 25483 5321 1 11 . 1 1 55 55 ASN CA C 55 51.681 51.681 53.430 -1.749 25483 5322 1 11 . 1 1 55 55 ASN CB C 55 39.468 39.468 38.157 1.311 25483 5323 1 11 . 1 1 55 55 ASN H H 55 8.154 8.154 8.800 -0.646 25483 5324 1 11 . 1 1 56 56 THR N N 56 107.919 107.919 114.323 -6.404 25483 5325 1 11 . 1 1 56 56 THR HA H 56 4.356 4.356 4.361 -0.005 25483 5326 1 11 . 1 1 56 56 THR C C 56 172.477 172.477 174.133 -1.656 25483 5327 1 11 . 1 1 56 56 THR CA C 56 59.438 59.438 61.971 -2.533 25483 5328 1 11 . 1 1 56 56 THR CB C 56 70.636 70.636 70.043 0.592 25483 5329 1 11 . 1 1 56 56 THR H H 56 6.778 6.778 7.518 -0.740 25483 5330 1 11 . 1 1 57 57 PHE N N 57 117.789 117.789 117.949 -0.160 25483 5331 1 11 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.090 -0.365 25483 5332 1 11 . 1 1 57 57 PHE C C 57 174.241 174.241 173.274 0.967 25483 5333 1 11 . 1 1 57 57 PHE CA C 57 55.088 55.088 53.780 1.308 25483 5334 1 11 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.343 5.163 25483 5335 1 11 . 1 1 57 57 PHE H H 57 8.469 8.469 6.965 1.504 25483 5336 1 11 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.550 1.063 25483 5337 1 11 . 1 1 58 58 PRO C C 58 177.062 177.062 176.092 0.970 25483 5338 1 11 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.802 0.380 25483 5339 1 11 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.055 3.406 25483 5340 1 11 . 1 1 59 59 GLN N N 59 112.113 112.113 117.371 -5.258 25483 5341 1 11 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.777 0.043 25483 5342 1 11 . 1 1 59 59 GLN C C 59 175.655 175.655 175.176 0.479 25483 5343 1 11 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.027 1.141 25483 5344 1 11 . 1 1 59 59 GLN CB C 59 31.479 31.479 30.015 1.464 25483 5345 1 11 . 1 1 59 59 GLN H H 59 8.041 8.041 8.102 -0.061 25483 5346 1 11 . 1 1 60 60 ILE N N 60 123.134 123.134 122.549 0.585 25483 5347 1 11 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.598 0.360 25483 5348 1 11 . 1 1 60 60 ILE C C 60 174.350 174.350 175.223 -0.873 25483 5349 1 11 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.660 1.514 25483 5350 1 11 . 1 1 60 60 ILE CB C 60 40.828 40.828 38.794 2.034 25483 5351 1 11 . 1 1 60 60 ILE H H 60 8.940 8.940 8.058 0.882 25483 5352 1 11 . 1 1 61 61 PHE N N 61 128.163 128.163 122.667 5.496 25483 5353 1 11 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.839 0.554 25483 5354 1 11 . 1 1 61 61 PHE C C 61 174.659 174.659 174.169 0.490 25483 5355 1 11 . 1 1 61 61 PHE CA C 61 56.646 56.646 57.291 -0.645 25483 5356 1 11 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.250 -1.515 25483 5357 1 11 . 1 1 61 61 PHE H H 61 9.645 9.645 8.529 1.116 25483 5358 1 11 . 1 1 62 62 ILE N N 62 122.592 122.592 119.118 3.474 25483 5359 1 11 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.827 -0.197 25483 5360 1 11 . 1 1 62 62 ILE C C 62 175.360 175.360 176.102 -0.742 25483 5361 1 11 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.697 1.311 25483 5362 1 11 . 1 1 62 62 ILE CB C 62 39.569 39.569 40.559 -0.990 25483 5363 1 11 . 1 1 62 62 ILE H H 62 9.066 9.066 7.971 1.095 25483 5364 1 11 . 1 1 63 63 GLY N N 63 116.263 116.263 117.641 -1.378 25483 5365 1 11 . 1 1 63 63 GLY C C 63 175.630 175.630 174.882 0.748 25483 5366 1 11 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.751 0.502 25483 5367 1 11 . 1 1 63 63 GLY H H 63 9.307 9.307 8.445 0.862 25483 5368 1 11 . 1 1 64 64 SER N N 64 122.053 122.053 118.653 3.400 25483 5369 1 11 . 1 1 64 64 SER HA H 64 4.566 4.566 4.731 -0.165 25483 5370 1 11 . 1 1 64 64 SER C C 64 173.891 173.891 173.714 0.177 25483 5371 1 11 . 1 1 64 64 SER CA C 64 59.071 59.071 58.222 0.849 25483 5372 1 11 . 1 1 64 64 SER CB C 64 63.895 63.895 63.912 -0.017 25483 5373 1 11 . 1 1 64 64 SER H H 64 9.236 9.236 8.523 0.713 25483 5374 1 11 . 1 1 65 65 VAL N N 65 124.553 124.553 122.807 1.746 25483 5375 1 11 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.309 -0.232 25483 5376 1 11 . 1 1 65 65 VAL C C 65 175.294 175.294 174.509 0.785 25483 5377 1 11 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.099 1.636 25483 5378 1 11 . 1 1 65 65 VAL CB C 65 33.078 33.078 33.793 -0.715 25483 5379 1 11 . 1 1 65 65 VAL H H 65 8.494 8.494 7.933 0.561 25483 5380 1 11 . 1 1 66 66 HIS N N 66 102.561 102.561 126.347 -23.786 25483 5381 1 11 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.194 0.168 25483 5382 1 11 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.037 -0.424 25483 5383 1 11 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.448 0.493 25483 5384 1 11 . 1 1 66 66 HIS H H 66 8.966 8.966 8.614 0.352 25483 5385 1 11 . 1 1 67 67 VAL N N 67 130.151 130.151 128.908 1.243 25483 5386 1 11 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.328 -0.898 25483 5387 1 11 . 1 1 67 67 VAL C C 67 174.677 174.677 173.797 0.880 25483 5388 1 11 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.656 3.373 25483 5389 1 11 . 1 1 67 67 VAL CB C 67 32.426 32.426 33.158 -0.732 25483 5390 1 11 . 1 1 67 67 VAL H H 67 8.214 8.214 7.353 0.861 25483 5391 1 11 . 1 1 68 68 GLY N N 68 102.768 102.768 115.610 -12.842 25483 5392 1 11 . 1 1 68 68 GLY C C 68 173.023 173.023 173.771 -0.748 25483 5393 1 11 . 1 1 68 68 GLY CA C 68 43.780 43.780 44.599 -0.819 25483 5394 1 11 . 1 1 68 68 GLY H H 68 6.436 6.436 8.331 -1.895 25483 5395 1 11 . 1 1 69 69 GLY N N 69 110.061 110.061 110.140 -0.079 25483 5396 1 11 . 1 1 69 69 GLY C C 69 175.375 175.375 173.613 1.762 25483 5397 1 11 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.360 -0.437 25483 5398 1 11 . 1 1 69 69 GLY H H 69 9.004 9.004 7.459 1.545 25483 5399 1 11 . 1 1 70 70 SER N N 70 113.592 113.592 118.508 -4.916 25483 5400 1 11 . 1 1 70 70 SER HA H 70 3.894 3.894 3.943 -0.049 25483 5401 1 11 . 1 1 70 70 SER CA C 70 62.816 62.816 61.415 1.401 25483 5402 1 11 . 1 1 70 70 SER H H 70 8.088 8.088 7.831 0.257 25483 5403 1 11 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.411 -0.007 25483 5404 1 11 . 1 1 71 71 ASP C C 71 179.115 179.115 177.755 1.360 25483 5405 1 11 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.126 0.485 25483 5406 1 11 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.619 -1.294 25483 5407 1 11 . 1 1 72 72 ASP N N 72 119.325 119.325 120.412 -1.087 25483 5408 1 11 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.406 -0.060 25483 5409 1 11 . 1 1 72 72 ASP C C 72 177.816 177.816 178.570 -0.754 25483 5410 1 11 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.618 0.595 25483 5411 1 11 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.563 0.846 25483 5412 1 11 . 1 1 72 72 ASP H H 72 7.232 7.232 7.745 -0.513 25483 5413 1 11 . 1 1 73 73 LEU N N 73 121.336 121.336 120.269 1.067 25483 5414 1 11 . 1 1 73 73 LEU HA H 73 3.773 3.773 4.023 -0.250 25483 5415 1 11 . 1 1 73 73 LEU C C 73 177.957 177.957 177.896 0.061 25483 5416 1 11 . 1 1 73 73 LEU CA C 73 58.354 58.354 57.968 0.386 25483 5417 1 11 . 1 1 73 73 LEU CB C 73 42.176 42.176 42.047 0.129 25483 5418 1 11 . 1 1 73 73 LEU H H 73 7.789 7.789 7.369 0.420 25483 5419 1 11 . 1 1 74 74 TYR N N 74 116.570 116.570 117.315 -0.745 25483 5420 1 11 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.220 -0.471 25483 5421 1 11 . 1 1 74 74 TYR C C 74 178.275 178.275 177.361 0.914 25483 5422 1 11 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.207 1.491 25483 5423 1 11 . 1 1 74 74 TYR CB C 74 37.511 37.511 38.044 -0.533 25483 5424 1 11 . 1 1 74 74 TYR H H 74 8.318 8.318 7.285 1.033 25483 5425 1 11 . 1 1 75 75 ALA N N 75 122.593 122.593 123.104 -0.511 25483 5426 1 11 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.984 0.271 25483 5427 1 11 . 1 1 75 75 ALA C C 75 180.162 180.162 179.059 1.103 25483 5428 1 11 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.357 0.246 25483 5429 1 11 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.140 -0.511 25483 5430 1 11 . 1 1 75 75 ALA H H 75 8.082 8.082 7.680 0.402 25483 5431 1 11 . 1 1 76 76 LEU N N 76 116.647 116.647 118.226 -1.579 25483 5432 1 11 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.880 0.175 25483 5433 1 11 . 1 1 76 76 LEU C C 76 179.538 179.538 179.529 0.009 25483 5434 1 11 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.974 -0.118 25483 5435 1 11 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.528 1.149 25483 5436 1 11 . 1 1 76 76 LEU H H 76 7.389 7.389 7.648 -0.259 25483 5437 1 11 . 1 1 77 77 GLU N N 77 121.342 121.342 119.041 2.301 25483 5438 1 11 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.998 0.599 25483 5439 1 11 . 1 1 77 77 GLU C C 77 179.674 179.674 178.995 0.679 25483 5440 1 11 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.396 -1.365 25483 5441 1 11 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.117 -1.000 25483 5442 1 11 . 1 1 77 77 GLU H H 77 7.461 7.461 7.794 -0.333 25483 5443 1 11 . 1 1 78 78 ASP N N 78 123.339 123.339 118.869 4.470 25483 5444 1 11 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.535 -0.084 25483 5445 1 11 . 1 1 78 78 ASP C C 78 178.412 178.412 178.151 0.261 25483 5446 1 11 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.627 0.843 25483 5447 1 11 . 1 1 78 78 ASP CB C 78 40.544 40.544 41.144 -0.600 25483 5448 1 11 . 1 1 78 78 ASP H H 78 8.650 8.650 7.771 0.879 25483 5449 1 11 . 1 1 79 79 GLU N N 79 115.360 115.360 117.030 -1.670 25483 5450 1 11 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.311 0.021 25483 5451 1 11 . 1 1 79 79 GLU C C 79 176.861 176.861 177.884 -1.023 25483 5452 1 11 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.104 -0.789 25483 5453 1 11 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.586 0.115 25483 5454 1 11 . 1 1 79 79 GLU H H 79 7.791 7.791 8.147 -0.356 25483 5455 1 11 . 1 1 80 80 GLY N N 80 108.851 108.851 107.368 1.483 25483 5456 1 11 . 1 1 80 80 GLY C C 80 176.085 176.085 174.335 1.750 25483 5457 1 11 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.081 1.160 25483 5458 1 11 . 1 1 80 80 GLY H H 80 8.078 8.078 8.157 -0.079 25483 5459 1 11 . 1 1 81 81 LYS N N 81 116.858 116.858 119.239 -2.381 25483 5460 1 11 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.663 -0.218 25483 5461 1 11 . 1 1 81 81 LYS C C 81 176.789 176.789 176.114 0.675 25483 5462 1 11 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.234 1.333 25483 5463 1 11 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.107 2.897 25483 5464 1 11 . 1 1 81 81 LYS H H 81 8.216 8.216 8.402 -0.186 25483 5465 1 11 . 1 1 82 82 LEU N N 82 122.543 122.543 117.589 4.954 25483 5466 1 11 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.356 -0.315 25483 5467 1 11 . 1 1 82 82 LEU C C 82 177.466 177.466 177.773 -0.307 25483 5468 1 11 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.424 0.073 25483 5469 1 11 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.811 -1.322 25483 5470 1 11 . 1 1 82 82 LEU H H 82 7.516 7.516 7.757 -0.241 25483 5471 1 11 . 1 1 83 83 ASP N N 83 119.643 119.643 120.398 -0.755 25483 5472 1 11 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.308 -0.002 25483 5473 1 11 . 1 1 83 83 ASP C C 83 178.744 178.744 178.159 0.585 25483 5474 1 11 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.103 1.635 25483 5475 1 11 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.198 -0.244 25483 5476 1 11 . 1 1 83 83 ASP H H 83 8.662 8.662 8.506 0.156 25483 5477 1 11 . 1 1 84 84 SER N N 84 113.208 113.208 114.860 -1.652 25483 5478 1 11 . 1 1 84 84 SER HA H 84 4.266 4.266 4.200 0.066 25483 5479 1 11 . 1 1 84 84 SER C C 84 177.581 177.581 176.428 1.153 25483 5480 1 11 . 1 1 84 84 SER CA C 84 61.483 61.483 61.787 -0.304 25483 5481 1 11 . 1 1 84 84 SER CB C 84 62.667 62.667 62.970 -0.303 25483 5482 1 11 . 1 1 84 84 SER H H 84 8.425 8.425 8.546 -0.121 25483 5483 1 11 . 1 1 85 85 LEU N N 85 126.393 126.393 122.854 3.539 25483 5484 1 11 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.286 0.069 25483 5485 1 11 . 1 1 85 85 LEU C C 85 178.692 178.692 177.823 0.869 25483 5486 1 11 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.053 0.356 25483 5487 1 11 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.098 -0.583 25483 5488 1 11 . 1 1 85 85 LEU H H 85 7.577 7.577 7.432 0.145 25483 5489 1 11 . 1 1 86 86 LEU N N 86 117.833 117.833 113.177 4.656 25483 5490 1 11 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.384 -0.501 25483 5491 1 11 . 1 1 86 86 LEU C C 86 177.470 177.470 178.034 -0.564 25483 5492 1 11 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.808 0.973 25483 5493 1 11 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.413 0.389 25483 5494 1 11 . 1 1 86 86 LEU H H 86 8.406 8.406 8.215 0.191 25483 5495 1 11 . 1 1 87 87 LYS N N 87 113.997 113.997 117.416 -3.419 25483 5496 1 11 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.274 0.115 25483 5497 1 11 . 1 1 87 87 LYS C C 87 178.282 178.282 176.889 1.393 25483 5498 1 11 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.520 -0.186 25483 5499 1 11 . 1 1 87 87 LYS CB C 87 33.913 33.913 34.419 -0.506 25483 5500 1 11 . 1 1 87 87 LYS H H 87 7.548 7.548 8.150 -0.602 25483 5501 1 11 . 1 1 88 88 THR N N 88 106.050 106.050 106.675 -0.625 25483 5502 1 11 . 1 1 88 88 THR HA H 88 4.545 4.545 4.460 0.085 25483 5503 1 11 . 1 1 88 88 THR C C 88 176.566 176.566 174.575 1.991 25483 5504 1 11 . 1 1 88 88 THR CA C 88 62.396 62.396 62.644 -0.248 25483 5505 1 11 . 1 1 88 88 THR CB C 88 72.438 72.438 72.660 -0.222 25483 5506 1 11 . 1 1 88 88 THR H H 88 8.178 8.178 7.969 0.209 25483 5507 1 11 . 1 1 89 89 GLY N N 89 112.811 112.811 112.196 0.615 25483 5508 1 11 . 1 1 89 89 GLY C C 89 171.985 171.985 172.129 -0.144 25483 5509 1 11 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.176 1.640 25483 5510 1 11 . 1 1 89 89 GLY H H 89 9.153 9.153 8.291 0.862 25483 5511 1 11 . 1 1 90 90 LYS N N 90 117.650 117.650 120.199 -2.549 25483 5512 1 11 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.722 -0.212 25483 5513 1 11 . 1 1 90 90 LYS C C 90 174.330 174.330 175.938 -1.608 25483 5514 1 11 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.142 0.468 25483 5515 1 11 . 1 1 90 90 LYS CB C 90 35.701 35.701 35.249 0.452 25483 5516 1 11 . 1 1 90 90 LYS H H 90 7.940 7.940 7.920 0.020 25483 5517 1 11 . 1 1 91 91 LEU N N 91 123.149 123.149 122.226 0.923 25483 5518 1 11 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.473 -0.004 25483 5519 1 11 . 1 1 91 91 LEU C C 91 175.848 175.848 176.862 -1.014 25483 5520 1 11 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.756 -1.156 25483 5521 1 11 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.308 0.703 25483 5522 1 11 . 1 1 91 91 LEU H H 91 8.501 8.501 8.386 0.115 25483 5523 1 12 . 1 1 3 3 GLY N N 3 110.312 110.312 110.544 -0.232 25483 5524 1 12 . 1 1 3 3 GLY C C 3 174.169 174.169 173.989 0.180 25483 5525 1 12 . 1 1 3 3 GLY CA C 3 45.475 45.475 45.445 0.030 25483 5526 1 12 . 1 1 3 3 GLY H H 3 8.679 8.679 8.547 0.132 25483 5527 1 12 . 1 1 4 4 SER N N 4 115.617 115.617 116.025 -0.408 25483 5528 1 12 . 1 1 4 4 SER HA H 4 4.499 4.499 4.885 -0.386 25483 5529 1 12 . 1 1 4 4 SER C C 4 174.408 174.408 175.131 -0.723 25483 5530 1 12 . 1 1 4 4 SER CA C 4 58.541 58.541 57.208 1.333 25483 5531 1 12 . 1 1 4 4 SER CB C 4 63.920 63.920 64.937 -1.017 25483 5532 1 12 . 1 1 4 4 SER H H 4 8.237 8.237 8.345 -0.108 25483 5533 1 12 . 1 1 5 5 MET N N 5 121.390 121.390 121.232 0.158 25483 5534 1 12 . 1 1 5 5 MET HA H 5 4.702 4.702 4.587 0.115 25483 5535 1 12 . 1 1 5 5 MET C C 5 176.122 176.122 176.363 -0.241 25483 5536 1 12 . 1 1 5 5 MET CA C 5 55.600 55.600 55.147 0.453 25483 5537 1 12 . 1 1 5 5 MET CB C 5 34.357 34.357 32.628 1.729 25483 5538 1 12 . 1 1 5 5 MET H H 5 8.309 8.309 8.707 -0.398 25483 5539 1 12 . 1 1 6 6 VAL N N 6 117.990 117.990 112.451 5.539 25483 5540 1 12 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.331 -0.130 25483 5541 1 12 . 1 1 6 6 VAL C C 6 174.450 174.450 173.786 0.664 25483 5542 1 12 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.097 1.321 25483 5543 1 12 . 1 1 6 6 VAL CB C 6 32.585 32.585 34.645 -2.060 25483 5544 1 12 . 1 1 6 6 VAL H H 6 8.175 8.175 7.373 0.802 25483 5545 1 12 . 1 1 7 7 ASP N N 7 121.785 121.785 121.190 0.595 25483 5546 1 12 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.836 -0.268 25483 5547 1 12 . 1 1 7 7 ASP C C 7 175.866 175.866 175.461 0.405 25483 5548 1 12 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.280 1.888 25483 5549 1 12 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.205 -1.605 25483 5550 1 12 . 1 1 7 7 ASP H H 7 8.332 8.332 8.195 0.137 25483 5551 1 12 . 1 1 8 8 VAL N N 8 124.023 124.023 123.462 0.561 25483 5552 1 12 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.354 0.644 25483 5553 1 12 . 1 1 8 8 VAL C C 8 174.859 174.859 175.697 -0.838 25483 5554 1 12 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.654 -1.193 25483 5555 1 12 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.786 0.534 25483 5556 1 12 . 1 1 8 8 VAL H H 8 8.658 8.658 7.899 0.759 25483 5557 1 12 . 1 1 9 9 ILE N N 9 129.744 129.744 124.571 5.173 25483 5558 1 12 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.676 0.335 25483 5559 1 12 . 1 1 9 9 ILE C C 9 174.323 174.323 174.155 0.168 25483 5560 1 12 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.422 -0.725 25483 5561 1 12 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.784 -1.505 25483 5562 1 12 . 1 1 9 9 ILE H H 9 9.306 9.306 8.971 0.335 25483 5563 1 12 . 1 1 10 10 ILE N N 10 123.657 123.657 122.082 1.575 25483 5564 1 12 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.138 0.261 25483 5565 1 12 . 1 1 10 10 ILE C C 10 173.066 173.066 173.695 -0.629 25483 5566 1 12 . 1 1 10 10 ILE CA C 10 58.489 58.489 59.064 -0.575 25483 5567 1 12 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.759 -0.962 25483 5568 1 12 . 1 1 10 10 ILE H H 10 8.734 8.734 8.928 -0.194 25483 5569 1 12 . 1 1 11 11 TYR N N 11 128.973 128.973 128.286 0.687 25483 5570 1 12 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.696 0.991 25483 5571 1 12 . 1 1 11 11 TYR C C 11 176.756 176.756 174.559 2.197 25483 5572 1 12 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.469 -1.061 25483 5573 1 12 . 1 1 11 11 TYR CB C 11 40.284 40.284 39.021 1.263 25483 5574 1 12 . 1 1 11 11 TYR H H 11 9.292 9.292 8.858 0.434 25483 5575 1 12 . 1 1 12 12 THR N N 12 112.725 112.725 117.528 -4.803 25483 5576 1 12 . 1 1 12 12 THR HA H 12 5.732 5.732 4.583 1.149 25483 5577 1 12 . 1 1 12 12 THR C C 12 172.866 172.866 173.234 -0.368 25483 5578 1 12 . 1 1 12 12 THR CA C 12 59.671 59.671 61.244 -1.573 25483 5579 1 12 . 1 1 12 12 THR CB C 12 72.735 72.735 70.970 1.765 25483 5580 1 12 . 1 1 12 12 THR H H 12 9.253 9.253 8.106 1.147 25483 5581 1 12 . 1 1 13 13 ARG N N 13 116.857 116.857 123.654 -6.797 25483 5582 1 12 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.314 0.471 25483 5583 1 12 . 1 1 13 13 ARG C C 13 173.407 173.407 175.787 -2.380 25483 5584 1 12 . 1 1 13 13 ARG CA C 13 53.254 53.254 56.100 -2.846 25483 5585 1 12 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.154 1.444 25483 5586 1 12 . 1 1 13 13 ARG H H 13 8.695 8.695 8.372 0.323 25483 5587 1 12 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.490 -0.329 25483 5588 1 12 . 1 1 14 14 PRO C C 14 177.642 177.642 176.453 1.189 25483 5589 1 12 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.565 -5.587 25483 5590 1 12 . 1 1 14 14 PRO CB C 14 30.197 30.197 32.579 -2.382 25483 5591 1 12 . 1 1 15 15 GLY N N 15 108.958 108.958 106.806 2.152 25483 5592 1 12 . 1 1 15 15 GLY C C 15 173.520 173.520 173.535 -0.015 25483 5593 1 12 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.251 0.782 25483 5594 1 12 . 1 1 15 15 GLY H H 15 8.534 8.534 7.915 0.619 25483 5595 1 12 . 1 1 16 16 CYS N N 16 122.701 122.701 120.217 2.484 25483 5596 1 12 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.812 0.223 25483 5597 1 12 . 1 1 16 16 CYS C C 16 175.994 175.994 173.198 2.796 25483 5598 1 12 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.213 -3.995 25483 5599 1 12 . 1 1 16 16 CYS CB C 16 31.714 31.714 28.591 3.123 25483 5600 1 12 . 1 1 16 16 CYS H H 16 7.476 7.476 8.592 -1.116 25483 5601 1 12 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.537 -0.197 25483 5602 1 12 . 1 1 17 17 PRO C C 17 178.531 178.531 175.505 3.026 25483 5603 1 12 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.363 2.168 25483 5604 1 12 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.682 -0.542 25483 5605 1 12 . 1 1 18 18 TYR N N 18 121.799 121.799 121.066 0.733 25483 5606 1 12 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.766 -0.344 25483 5607 1 12 . 1 1 18 18 TYR C C 18 178.508 178.508 175.946 2.562 25483 5608 1 12 . 1 1 18 18 TYR CA C 18 61.076 61.076 57.154 3.922 25483 5609 1 12 . 1 1 18 18 TYR CB C 18 38.433 38.433 37.106 1.327 25483 5610 1 12 . 1 1 18 18 TYR H H 18 8.148 8.148 8.786 -0.638 25483 5611 1 12 . 1 1 19 19 CYS N N 19 122.966 122.966 118.545 4.421 25483 5612 1 12 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.718 -0.716 25483 5613 1 12 . 1 1 19 19 CYS C C 19 177.642 177.642 175.337 2.305 25483 5614 1 12 . 1 1 19 19 CYS CA C 19 64.471 64.471 55.865 8.606 25483 5615 1 12 . 1 1 19 19 CYS CB C 19 31.017 31.017 26.806 4.211 25483 5616 1 12 . 1 1 19 19 CYS H H 19 7.833 7.833 8.238 -0.405 25483 5617 1 12 . 1 1 20 20 ALA N N 20 121.738 121.738 125.055 -3.317 25483 5618 1 12 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.225 -0.075 25483 5619 1 12 . 1 1 20 20 ALA C C 20 180.531 180.531 179.401 1.130 25483 5620 1 12 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.528 1.056 25483 5621 1 12 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.811 -0.783 25483 5622 1 12 . 1 1 20 20 ALA H H 20 7.080 7.080 8.450 -1.370 25483 5623 1 12 . 1 1 21 21 ARG N N 21 119.812 119.812 119.894 -0.082 25483 5624 1 12 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.108 0.134 25483 5625 1 12 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.339 -1.414 25483 5626 1 12 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.223 0.645 25483 5627 1 12 . 1 1 21 21 ARG H H 21 8.039 8.039 8.143 -0.104 25483 5628 1 12 . 1 1 22 22 ALA N N 22 124.459 124.459 121.603 2.856 25483 5629 1 12 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.876 0.264 25483 5630 1 12 . 1 1 22 22 ALA C C 22 178.267 178.267 179.582 -1.315 25483 5631 1 12 . 1 1 22 22 ALA CA C 22 55.671 55.671 55.009 0.662 25483 5632 1 12 . 1 1 22 22 ALA CB C 22 19.225 19.225 17.840 1.385 25483 5633 1 12 . 1 1 22 22 ALA H H 22 7.768 7.768 8.162 -0.394 25483 5634 1 12 . 1 1 23 23 LYS N N 23 116.014 116.014 117.836 -1.822 25483 5635 1 12 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.514 -0.213 25483 5636 1 12 . 1 1 23 23 LYS C C 23 177.995 177.995 178.643 -0.648 25483 5637 1 12 . 1 1 23 23 LYS CA C 23 60.722 60.722 58.172 2.550 25483 5638 1 12 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.770 -0.120 25483 5639 1 12 . 1 1 23 23 LYS H H 23 7.984 7.984 7.404 0.580 25483 5640 1 12 . 1 1 24 24 ALA N N 24 120.042 120.042 122.455 -2.413 25483 5641 1 12 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.069 0.141 25483 5642 1 12 . 1 1 24 24 ALA C C 24 180.610 180.610 179.697 0.913 25483 5643 1 12 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.998 -0.133 25483 5644 1 12 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.038 -0.102 25483 5645 1 12 . 1 1 24 24 ALA H H 24 8.040 8.040 7.994 0.046 25483 5646 1 12 . 1 1 25 25 LEU N N 25 119.514 119.514 119.168 0.346 25483 5647 1 12 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.973 0.179 25483 5648 1 12 . 1 1 25 25 LEU C C 25 177.834 177.834 178.613 -0.779 25483 5649 1 12 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.837 -0.149 25483 5650 1 12 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.858 -1.123 25483 5651 1 12 . 1 1 25 25 LEU H H 25 7.150 7.150 7.299 -0.149 25483 5652 1 12 . 1 1 26 26 LEU N N 26 117.253 117.253 117.759 -0.506 25483 5653 1 12 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.916 -0.163 25483 5654 1 12 . 1 1 26 26 LEU C C 26 178.553 178.553 179.058 -0.505 25483 5655 1 12 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.822 0.653 25483 5656 1 12 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.340 -0.276 25483 5657 1 12 . 1 1 26 26 LEU H H 26 7.576 7.576 7.360 0.216 25483 5658 1 12 . 1 1 27 27 ALA N N 27 119.606 119.606 118.852 0.754 25483 5659 1 12 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.283 0.058 25483 5660 1 12 . 1 1 27 27 ALA C C 27 182.219 182.219 178.617 3.602 25483 5661 1 12 . 1 1 27 27 ALA CA C 27 55.326 55.326 53.919 1.407 25483 5662 1 12 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.786 -0.678 25483 5663 1 12 . 1 1 27 27 ALA H H 27 8.629 8.629 7.992 0.637 25483 5664 1 12 . 1 1 28 28 ARG N N 28 121.081 121.081 119.720 1.361 25483 5665 1 12 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.216 -0.051 25483 5666 1 12 . 1 1 28 28 ARG C C 28 178.659 178.659 177.664 0.995 25483 5667 1 12 . 1 1 28 28 ARG CA C 28 59.181 59.181 57.719 1.462 25483 5668 1 12 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.983 -1.063 25483 5669 1 12 . 1 1 28 28 ARG H H 28 7.992 7.992 7.955 0.037 25483 5670 1 12 . 1 1 29 29 LYS N N 29 115.790 115.790 116.573 -0.783 25483 5671 1 12 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.441 -0.207 25483 5672 1 12 . 1 1 29 29 LYS C C 29 176.666 176.666 176.494 0.172 25483 5673 1 12 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.644 -0.699 25483 5674 1 12 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.832 -1.391 25483 5675 1 12 . 1 1 29 29 LYS H H 29 7.663 7.663 7.647 0.016 25483 5676 1 12 . 1 1 30 30 GLY N N 30 107.767 107.767 108.489 -0.722 25483 5677 1 12 . 1 1 30 30 GLY C C 30 174.014 174.014 174.995 -0.981 25483 5678 1 12 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.705 -0.300 25483 5679 1 12 . 1 1 30 30 GLY H H 30 7.930 7.930 8.171 -0.241 25483 5680 1 12 . 1 1 31 31 ALA N N 31 122.192 122.192 121.210 0.982 25483 5681 1 12 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.203 0.300 25483 5682 1 12 . 1 1 31 31 ALA C C 31 176.691 176.691 176.487 0.204 25483 5683 1 12 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.471 -0.840 25483 5684 1 12 . 1 1 31 31 ALA CB C 31 19.938 19.938 19.976 -0.038 25483 5685 1 12 . 1 1 31 31 ALA H H 31 7.844 7.844 7.660 0.184 25483 5686 1 12 . 1 1 32 32 GLU N N 32 123.903 123.903 120.617 3.286 25483 5687 1 12 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.522 -0.287 25483 5688 1 12 . 1 1 32 32 GLU C C 32 176.080 176.080 175.261 0.819 25483 5689 1 12 . 1 1 32 32 GLU CA C 32 55.735 55.735 54.957 0.778 25483 5690 1 12 . 1 1 32 32 GLU CB C 32 29.777 29.777 30.765 -0.988 25483 5691 1 12 . 1 1 32 32 GLU H H 32 8.337 8.337 8.561 -0.224 25483 5692 1 12 . 1 1 33 33 PHE N N 33 116.634 116.634 122.380 -5.746 25483 5693 1 12 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.204 0.028 25483 5694 1 12 . 1 1 33 33 PHE C C 33 173.397 173.397 173.766 -0.369 25483 5695 1 12 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.621 -0.400 25483 5696 1 12 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.516 -0.007 25483 5697 1 12 . 1 1 33 33 PHE H H 33 7.640 7.640 7.583 0.057 25483 5698 1 12 . 1 1 34 34 ASN N N 34 120.133 120.133 118.293 1.840 25483 5699 1 12 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.793 0.178 25483 5700 1 12 . 1 1 34 34 ASN C C 34 173.199 173.199 173.900 -0.701 25483 5701 1 12 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.269 -0.089 25483 5702 1 12 . 1 1 34 34 ASN CB C 34 39.840 39.840 40.931 -1.091 25483 5703 1 12 . 1 1 34 34 ASN H H 34 8.921 8.921 8.488 0.433 25483 5704 1 12 . 1 1 35 35 GLU N N 35 126.204 126.204 123.746 2.458 25483 5705 1 12 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.857 0.321 25483 5706 1 12 . 1 1 35 35 GLU C C 35 175.185 175.185 175.795 -0.610 25483 5707 1 12 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.093 -1.542 25483 5708 1 12 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.492 -0.055 25483 5709 1 12 . 1 1 35 35 GLU H H 35 8.758 8.758 8.631 0.127 25483 5710 1 12 . 1 1 36 36 ILE N N 36 130.012 130.012 121.637 8.375 25483 5711 1 12 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.222 -0.061 25483 5712 1 12 . 1 1 36 36 ILE C C 36 174.987 174.987 174.460 0.527 25483 5713 1 12 . 1 1 36 36 ILE CA C 36 60.183 60.183 60.183 0.000 25483 5714 1 12 . 1 1 36 36 ILE CB C 36 40.273 40.273 41.275 -1.002 25483 5715 1 12 . 1 1 36 36 ILE H H 36 9.080 9.080 7.847 1.233 25483 5716 1 12 . 1 1 37 37 ASP N N 37 125.921 125.921 129.195 -3.274 25483 5717 1 12 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.658 0.344 25483 5718 1 12 . 1 1 37 37 ASP C C 37 176.847 176.847 175.572 1.275 25483 5719 1 12 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.795 -1.917 25483 5720 1 12 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.886 -1.596 25483 5721 1 12 . 1 1 37 37 ASP H H 37 8.515 8.515 8.610 -0.095 25483 5722 1 12 . 1 1 38 38 ALA N N 38 130.525 130.525 126.390 4.135 25483 5723 1 12 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.579 0.079 25483 5724 1 12 . 1 1 38 38 ALA C C 38 175.507 175.507 177.449 -1.942 25483 5725 1 12 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.392 0.527 25483 5726 1 12 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.445 0.167 25483 5727 1 12 . 1 1 38 38 ALA H H 38 8.845 8.845 8.207 0.638 25483 5728 1 12 . 1 1 39 39 SER N N 39 111.653 111.653 111.819 -0.166 25483 5729 1 12 . 1 1 39 39 SER HA H 39 4.425 4.425 4.055 0.370 25483 5730 1 12 . 1 1 39 39 SER C C 39 176.988 176.988 174.290 2.698 25483 5731 1 12 . 1 1 39 39 SER CA C 39 59.504 59.504 59.416 0.088 25483 5732 1 12 . 1 1 39 39 SER CB C 39 64.768 64.768 62.197 2.571 25483 5733 1 12 . 1 1 39 39 SER H H 39 8.727 8.727 8.847 -0.120 25483 5734 1 12 . 1 1 40 40 ALA N N 40 124.164 124.164 121.202 2.962 25483 5735 1 12 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.492 -0.263 25483 5736 1 12 . 1 1 40 40 ALA C C 40 178.039 178.039 177.049 0.990 25483 5737 1 12 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.819 2.028 25483 5738 1 12 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.093 0.285 25483 5739 1 12 . 1 1 40 40 ALA H H 40 7.543 7.543 8.386 -0.843 25483 5740 1 12 . 1 1 41 41 THR N N 41 106.060 106.060 113.371 -7.311 25483 5741 1 12 . 1 1 41 41 THR HA H 41 5.006 5.006 4.817 0.189 25483 5742 1 12 . 1 1 41 41 THR C C 41 173.200 173.200 172.855 0.345 25483 5743 1 12 . 1 1 41 41 THR CA C 41 57.856 57.856 59.029 -1.173 25483 5744 1 12 . 1 1 41 41 THR CB C 41 70.541 70.541 70.407 0.134 25483 5745 1 12 . 1 1 41 41 THR H H 41 7.162 7.162 7.588 -0.426 25483 5746 1 12 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.498 -0.173 25483 5747 1 12 . 1 1 42 42 PRO C C 42 179.534 179.534 178.278 1.256 25483 5748 1 12 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.477 0.330 25483 5749 1 12 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.066 -0.325 25483 5750 1 12 . 1 1 43 43 GLU N N 43 118.723 118.723 118.986 -0.263 25483 5751 1 12 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.185 -0.077 25483 5752 1 12 . 1 1 43 43 GLU C C 43 179.692 179.692 178.787 0.905 25483 5753 1 12 . 1 1 43 43 GLU CA C 43 60.721 60.721 58.694 2.026 25483 5754 1 12 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.366 -0.815 25483 5755 1 12 . 1 1 43 43 GLU H H 43 9.124 9.124 8.217 0.906 25483 5756 1 12 . 1 1 44 44 LEU N N 44 121.970 121.970 120.194 1.776 25483 5757 1 12 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.376 -0.036 25483 5758 1 12 . 1 1 44 44 LEU C C 44 178.924 178.924 178.699 0.225 25483 5759 1 12 . 1 1 44 44 LEU CA C 44 57.472 57.472 56.876 0.596 25483 5760 1 12 . 1 1 44 44 LEU CB C 44 42.432 42.432 42.276 0.156 25483 5761 1 12 . 1 1 44 44 LEU H H 44 7.838 7.838 7.469 0.369 25483 5762 1 12 . 1 1 45 45 ARG N N 45 122.130 122.130 120.035 2.095 25483 5763 1 12 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.923 0.170 25483 5764 1 12 . 1 1 45 45 ARG C C 45 178.955 178.955 178.256 0.699 25483 5765 1 12 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.435 0.689 25483 5766 1 12 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.187 -0.040 25483 5767 1 12 . 1 1 45 45 ARG H H 45 7.762 7.762 8.044 -0.282 25483 5768 1 12 . 1 1 46 46 ALA N N 46 121.165 121.165 120.889 0.276 25483 5769 1 12 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.072 0.064 25483 5770 1 12 . 1 1 46 46 ALA C C 46 179.912 179.912 179.605 0.307 25483 5771 1 12 . 1 1 46 46 ALA CA C 46 54.945 54.945 55.019 -0.074 25483 5772 1 12 . 1 1 46 46 ALA CB C 46 17.712 17.712 17.938 -0.226 25483 5773 1 12 . 1 1 46 46 ALA H H 46 8.160 8.160 7.764 0.396 25483 5774 1 12 . 1 1 47 47 GLU N N 47 120.906 120.906 119.549 1.357 25483 5775 1 12 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.046 0.007 25483 5776 1 12 . 1 1 47 47 GLU C C 47 178.039 178.039 179.284 -1.245 25483 5777 1 12 . 1 1 47 47 GLU CA C 47 59.500 59.500 58.845 0.655 25483 5778 1 12 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.147 0.664 25483 5779 1 12 . 1 1 47 47 GLU H H 47 7.918 7.918 7.796 0.122 25483 5780 1 12 . 1 1 48 48 MET N N 48 118.645 118.645 119.404 -0.759 25483 5781 1 12 . 1 1 48 48 MET HA H 48 2.897 2.897 4.130 -1.233 25483 5782 1 12 . 1 1 48 48 MET C C 48 180.282 180.282 177.706 2.576 25483 5783 1 12 . 1 1 48 48 MET CA C 48 59.540 59.540 58.121 1.419 25483 5784 1 12 . 1 1 48 48 MET CB C 48 33.502 33.502 32.548 0.954 25483 5785 1 12 . 1 1 48 48 MET H H 48 8.047 8.047 7.599 0.448 25483 5786 1 12 . 1 1 49 49 GLN N N 49 122.104 122.104 118.898 3.206 25483 5787 1 12 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.102 0.237 25483 5788 1 12 . 1 1 49 49 GLN C C 49 178.780 178.780 177.227 1.553 25483 5789 1 12 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.410 0.334 25483 5790 1 12 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.101 0.137 25483 5791 1 12 . 1 1 49 49 GLN H H 49 8.237 8.237 7.938 0.299 25483 5792 1 12 . 1 1 50 50 GLU N N 50 121.947 121.947 118.479 3.468 25483 5793 1 12 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.063 -0.094 25483 5794 1 12 . 1 1 50 50 GLU C C 50 178.863 178.863 177.941 0.922 25483 5795 1 12 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.600 0.531 25483 5796 1 12 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.937 -0.218 25483 5797 1 12 . 1 1 50 50 GLU H H 50 8.659 8.659 7.740 0.919 25483 5798 1 12 . 1 1 51 51 ARG N N 51 115.832 115.832 116.905 -1.073 25483 5799 1 12 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.398 -0.338 25483 5800 1 12 . 1 1 51 51 ARG C C 51 177.748 177.748 176.585 1.163 25483 5801 1 12 . 1 1 51 51 ARG CA C 51 58.480 58.480 55.828 2.652 25483 5802 1 12 . 1 1 51 51 ARG CB C 51 31.158 31.158 31.122 0.036 25483 5803 1 12 . 1 1 51 51 ARG H H 51 8.231 8.231 7.591 0.640 25483 5804 1 12 . 1 1 52 52 SER N N 52 109.790 109.790 114.819 -5.029 25483 5805 1 12 . 1 1 52 52 SER HA H 52 3.759 3.759 4.130 -0.371 25483 5806 1 12 . 1 1 52 52 SER C C 52 174.149 174.149 174.357 -0.208 25483 5807 1 12 . 1 1 52 52 SER CA C 52 58.883 58.883 58.813 0.070 25483 5808 1 12 . 1 1 52 52 SER CB C 52 66.744 66.744 61.960 4.784 25483 5809 1 12 . 1 1 52 52 SER H H 52 8.032 8.032 8.344 -0.312 25483 5810 1 12 . 1 1 53 53 GLY N N 53 112.524 112.524 108.768 3.756 25483 5811 1 12 . 1 1 53 53 GLY C C 53 173.690 173.690 174.118 -0.428 25483 5812 1 12 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.346 1.747 25483 5813 1 12 . 1 1 53 53 GLY H H 53 8.239 8.239 8.232 0.007 25483 5814 1 12 . 1 1 54 54 ARG N N 54 119.453 119.453 119.998 -0.545 25483 5815 1 12 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.193 0.460 25483 5816 1 12 . 1 1 54 54 ARG C C 54 174.144 174.144 176.771 -2.627 25483 5817 1 12 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.211 -1.551 25483 5818 1 12 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.907 4.348 25483 5819 1 12 . 1 1 54 54 ARG H H 54 8.309 8.309 8.404 -0.095 25483 5820 1 12 . 1 1 55 55 ASN N N 55 112.521 112.521 119.148 -6.627 25483 5821 1 12 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.738 -0.045 25483 5822 1 12 . 1 1 55 55 ASN C C 55 175.197 175.197 175.217 -0.020 25483 5823 1 12 . 1 1 55 55 ASN CA C 55 51.681 51.681 53.413 -1.732 25483 5824 1 12 . 1 1 55 55 ASN CB C 55 39.468 39.468 38.271 1.197 25483 5825 1 12 . 1 1 55 55 ASN H H 55 8.154 8.154 8.560 -0.406 25483 5826 1 12 . 1 1 56 56 THR N N 56 107.919 107.919 114.407 -6.488 25483 5827 1 12 . 1 1 56 56 THR HA H 56 4.356 4.356 4.044 0.312 25483 5828 1 12 . 1 1 56 56 THR C C 56 172.477 172.477 173.514 -1.037 25483 5829 1 12 . 1 1 56 56 THR CA C 56 59.438 59.438 63.447 -4.009 25483 5830 1 12 . 1 1 56 56 THR CB C 56 70.636 70.636 68.786 1.850 25483 5831 1 12 . 1 1 56 56 THR H H 56 6.778 6.778 7.564 -0.786 25483 5832 1 12 . 1 1 57 57 PHE N N 57 117.789 117.789 114.029 3.760 25483 5833 1 12 . 1 1 57 57 PHE HA H 57 4.725 4.725 4.918 -0.193 25483 5834 1 12 . 1 1 57 57 PHE C C 57 174.241 174.241 172.883 1.358 25483 5835 1 12 . 1 1 57 57 PHE CA C 57 55.088 55.088 53.353 1.735 25483 5836 1 12 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.918 4.588 25483 5837 1 12 . 1 1 57 57 PHE H H 57 8.469 8.469 6.984 1.484 25483 5838 1 12 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.621 0.992 25483 5839 1 12 . 1 1 58 58 PRO C C 58 177.062 177.062 175.757 1.305 25483 5840 1 12 . 1 1 58 58 PRO CA C 58 63.182 63.182 63.039 0.143 25483 5841 1 12 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.066 3.395 25483 5842 1 12 . 1 1 59 59 GLN N N 59 112.113 112.113 117.307 -5.194 25483 5843 1 12 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.779 0.041 25483 5844 1 12 . 1 1 59 59 GLN C C 59 175.655 175.655 175.068 0.587 25483 5845 1 12 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.681 0.487 25483 5846 1 12 . 1 1 59 59 GLN CB C 59 31.479 31.479 31.609 -0.130 25483 5847 1 12 . 1 1 59 59 GLN H H 59 8.041 8.041 8.092 -0.051 25483 5848 1 12 . 1 1 60 60 ILE N N 60 123.134 123.134 123.266 -0.132 25483 5849 1 12 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.818 0.140 25483 5850 1 12 . 1 1 60 60 ILE C C 60 174.350 174.350 174.569 -0.219 25483 5851 1 12 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.285 1.889 25483 5852 1 12 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.890 0.938 25483 5853 1 12 . 1 1 60 60 ILE H H 60 8.940 8.940 7.982 0.958 25483 5854 1 12 . 1 1 61 61 PHE N N 61 128.163 128.163 123.688 4.475 25483 5855 1 12 . 1 1 61 61 PHE HA H 61 5.393 5.393 5.132 0.261 25483 5856 1 12 . 1 1 61 61 PHE C C 61 174.659 174.659 174.198 0.461 25483 5857 1 12 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.954 -0.308 25483 5858 1 12 . 1 1 61 61 PHE CB C 61 41.735 41.735 42.575 -0.840 25483 5859 1 12 . 1 1 61 61 PHE H H 61 9.645 9.645 9.149 0.496 25483 5860 1 12 . 1 1 62 62 ILE N N 62 122.592 122.592 118.975 3.617 25483 5861 1 12 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.806 -0.176 25483 5862 1 12 . 1 1 62 62 ILE C C 62 175.360 175.360 176.782 -1.422 25483 5863 1 12 . 1 1 62 62 ILE CA C 62 61.008 61.008 58.307 2.701 25483 5864 1 12 . 1 1 62 62 ILE CB C 62 39.569 39.569 39.655 -0.086 25483 5865 1 12 . 1 1 62 62 ILE H H 62 9.066 9.066 7.934 1.132 25483 5866 1 12 . 1 1 63 63 GLY N N 63 116.263 116.263 116.756 -0.493 25483 5867 1 12 . 1 1 63 63 GLY C C 63 175.630 175.630 175.062 0.568 25483 5868 1 12 . 1 1 63 63 GLY CA C 63 47.253 47.253 45.931 1.322 25483 5869 1 12 . 1 1 63 63 GLY H H 63 9.307 9.307 8.740 0.567 25483 5870 1 12 . 1 1 64 64 SER N N 64 122.053 122.053 113.573 8.480 25483 5871 1 12 . 1 1 64 64 SER HA H 64 4.566 4.566 4.262 0.304 25483 5872 1 12 . 1 1 64 64 SER C C 64 173.891 173.891 173.828 0.063 25483 5873 1 12 . 1 1 64 64 SER CA C 64 59.071 59.071 58.866 0.205 25483 5874 1 12 . 1 1 64 64 SER CB C 64 63.895 63.895 63.263 0.632 25483 5875 1 12 . 1 1 64 64 SER H H 64 9.236 9.236 8.614 0.622 25483 5876 1 12 . 1 1 65 65 VAL N N 65 124.553 124.553 119.534 5.019 25483 5877 1 12 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.365 -0.288 25483 5878 1 12 . 1 1 65 65 VAL C C 65 175.294 175.294 174.587 0.707 25483 5879 1 12 . 1 1 65 65 VAL CA C 65 62.735 62.735 60.587 2.148 25483 5880 1 12 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.304 -1.226 25483 5881 1 12 . 1 1 65 65 VAL H H 65 8.494 8.494 7.682 0.812 25483 5882 1 12 . 1 1 66 66 HIS N N 66 102.561 102.561 123.729 -21.168 25483 5883 1 12 . 1 1 66 66 HIS HA H 66 4.362 4.362 3.530 0.832 25483 5884 1 12 . 1 1 66 66 HIS CA C 66 54.613 54.613 56.111 -1.498 25483 5885 1 12 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.696 0.245 25483 5886 1 12 . 1 1 66 66 HIS H H 66 8.966 8.966 8.431 0.535 25483 5887 1 12 . 1 1 67 67 VAL N N 67 130.151 130.151 124.942 5.209 25483 5888 1 12 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.315 -0.885 25483 5889 1 12 . 1 1 67 67 VAL C C 67 174.677 174.677 173.796 0.881 25483 5890 1 12 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.254 3.775 25483 5891 1 12 . 1 1 67 67 VAL CB C 67 32.426 32.426 36.002 -3.576 25483 5892 1 12 . 1 1 67 67 VAL H H 67 8.214 8.214 7.148 1.066 25483 5893 1 12 . 1 1 68 68 GLY N N 68 102.768 102.768 112.747 -9.979 25483 5894 1 12 . 1 1 68 68 GLY C C 68 173.023 173.023 174.143 -1.120 25483 5895 1 12 . 1 1 68 68 GLY CA C 68 43.780 43.780 45.297 -1.517 25483 5896 1 12 . 1 1 68 68 GLY H H 68 6.436 6.436 8.078 -1.642 25483 5897 1 12 . 1 1 69 69 GLY N N 69 110.061 110.061 107.257 2.804 25483 5898 1 12 . 1 1 69 69 GLY C C 69 175.375 175.375 175.356 0.019 25483 5899 1 12 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.586 -0.663 25483 5900 1 12 . 1 1 69 69 GLY H H 69 9.004 9.004 7.826 1.178 25483 5901 1 12 . 1 1 70 70 SER N N 70 113.592 113.592 116.506 -2.914 25483 5902 1 12 . 1 1 70 70 SER HA H 70 3.894 3.894 3.900 -0.006 25483 5903 1 12 . 1 1 70 70 SER CA C 70 62.816 62.816 62.240 0.576 25483 5904 1 12 . 1 1 70 70 SER H H 70 8.088 8.088 8.558 -0.470 25483 5905 1 12 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.257 0.147 25483 5906 1 12 . 1 1 71 71 ASP C C 71 179.115 179.115 177.872 1.243 25483 5907 1 12 . 1 1 71 71 ASP CA C 71 57.610 57.610 56.654 0.956 25483 5908 1 12 . 1 1 71 71 ASP CB C 71 39.325 39.325 39.736 -0.411 25483 5909 1 12 . 1 1 72 72 ASP N N 72 119.325 119.325 120.508 -1.183 25483 5910 1 12 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.615 -0.269 25483 5911 1 12 . 1 1 72 72 ASP C C 72 177.816 177.816 178.260 -0.444 25483 5912 1 12 . 1 1 72 72 ASP CA C 72 57.213 57.213 55.986 1.227 25483 5913 1 12 . 1 1 72 72 ASP CB C 72 41.409 41.409 41.601 -0.192 25483 5914 1 12 . 1 1 72 72 ASP H H 72 7.232 7.232 7.573 -0.341 25483 5915 1 12 . 1 1 73 73 LEU N N 73 121.336 121.336 121.951 -0.615 25483 5916 1 12 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.820 -0.047 25483 5917 1 12 . 1 1 73 73 LEU C C 73 177.957 177.957 178.610 -0.653 25483 5918 1 12 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.191 0.163 25483 5919 1 12 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.924 0.252 25483 5920 1 12 . 1 1 73 73 LEU H H 73 7.789 7.789 8.312 -0.523 25483 5921 1 12 . 1 1 74 74 TYR N N 74 116.570 116.570 116.907 -0.337 25483 5922 1 12 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.330 -0.581 25483 5923 1 12 . 1 1 74 74 TYR C C 74 178.275 178.275 177.841 0.434 25483 5924 1 12 . 1 1 74 74 TYR CA C 74 62.698 62.698 60.748 1.950 25483 5925 1 12 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.840 -0.329 25483 5926 1 12 . 1 1 74 74 TYR H H 74 8.318 8.318 8.501 -0.183 25483 5927 1 12 . 1 1 75 75 ALA N N 75 122.593 122.593 122.900 -0.307 25483 5928 1 12 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.963 0.292 25483 5929 1 12 . 1 1 75 75 ALA C C 75 180.162 180.162 179.208 0.954 25483 5930 1 12 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.250 0.353 25483 5931 1 12 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.103 -0.474 25483 5932 1 12 . 1 1 75 75 ALA H H 75 8.082 8.082 7.594 0.488 25483 5933 1 12 . 1 1 76 76 LEU N N 76 116.647 116.647 118.654 -2.007 25483 5934 1 12 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.886 0.169 25483 5935 1 12 . 1 1 76 76 LEU C C 76 179.538 179.538 179.152 0.386 25483 5936 1 12 . 1 1 76 76 LEU CA C 76 57.856 57.856 58.048 -0.192 25483 5937 1 12 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.390 1.287 25483 5938 1 12 . 1 1 76 76 LEU H H 76 7.389 7.389 8.126 -0.737 25483 5939 1 12 . 1 1 77 77 GLU N N 77 121.342 121.342 119.636 1.706 25483 5940 1 12 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.948 0.649 25483 5941 1 12 . 1 1 77 77 GLU C C 77 179.674 179.674 179.066 0.608 25483 5942 1 12 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.618 -1.587 25483 5943 1 12 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.194 -1.077 25483 5944 1 12 . 1 1 77 77 GLU H H 77 7.461 7.461 7.654 -0.193 25483 5945 1 12 . 1 1 78 78 ASP N N 78 123.339 123.339 119.166 4.173 25483 5946 1 12 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.489 -0.038 25483 5947 1 12 . 1 1 78 78 ASP C C 78 178.412 178.412 178.358 0.054 25483 5948 1 12 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.786 0.684 25483 5949 1 12 . 1 1 78 78 ASP CB C 78 40.544 40.544 41.136 -0.592 25483 5950 1 12 . 1 1 78 78 ASP H H 78 8.650 8.650 7.910 0.740 25483 5951 1 12 . 1 1 79 79 GLU N N 79 115.360 115.360 117.363 -2.003 25483 5952 1 12 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.292 0.040 25483 5953 1 12 . 1 1 79 79 GLU C C 79 176.861 176.861 177.911 -1.050 25483 5954 1 12 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.018 -0.703 25483 5955 1 12 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.423 0.278 25483 5956 1 12 . 1 1 79 79 GLU H H 79 7.791 7.791 8.193 -0.402 25483 5957 1 12 . 1 1 80 80 GLY N N 80 108.851 108.851 107.296 1.555 25483 5958 1 12 . 1 1 80 80 GLY C C 80 176.085 176.085 174.139 1.946 25483 5959 1 12 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.178 1.063 25483 5960 1 12 . 1 1 80 80 GLY H H 80 8.078 8.078 8.178 -0.100 25483 5961 1 12 . 1 1 81 81 LYS N N 81 116.858 116.858 118.904 -2.046 25483 5962 1 12 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.675 -0.230 25483 5963 1 12 . 1 1 81 81 LYS C C 81 176.789 176.789 176.611 0.178 25483 5964 1 12 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.405 1.163 25483 5965 1 12 . 1 1 81 81 LYS CB C 81 36.004 36.004 32.963 3.041 25483 5966 1 12 . 1 1 81 81 LYS H H 81 8.216 8.216 8.314 -0.098 25483 5967 1 12 . 1 1 82 82 LEU N N 82 122.543 122.543 118.636 3.907 25483 5968 1 12 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.151 -0.110 25483 5969 1 12 . 1 1 82 82 LEU C C 82 177.466 177.466 177.647 -0.181 25483 5970 1 12 . 1 1 82 82 LEU CA C 82 57.497 57.497 58.339 -0.842 25483 5971 1 12 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.436 -0.947 25483 5972 1 12 . 1 1 82 82 LEU H H 82 7.516 7.516 7.869 -0.353 25483 5973 1 12 . 1 1 83 83 ASP N N 83 119.643 119.643 120.464 -0.821 25483 5974 1 12 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.300 0.006 25483 5975 1 12 . 1 1 83 83 ASP C C 83 178.744 178.744 178.173 0.571 25483 5976 1 12 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.597 1.141 25483 5977 1 12 . 1 1 83 83 ASP CB C 83 39.954 39.954 39.996 -0.042 25483 5978 1 12 . 1 1 83 83 ASP H H 83 8.662 8.662 8.608 0.054 25483 5979 1 12 . 1 1 84 84 SER N N 84 113.208 113.208 114.502 -1.294 25483 5980 1 12 . 1 1 84 84 SER HA H 84 4.266 4.266 4.302 -0.036 25483 5981 1 12 . 1 1 84 84 SER C C 84 177.581 177.581 175.953 1.628 25483 5982 1 12 . 1 1 84 84 SER CA C 84 61.483 61.483 60.528 0.955 25483 5983 1 12 . 1 1 84 84 SER CB C 84 62.667 62.667 63.090 -0.423 25483 5984 1 12 . 1 1 84 84 SER H H 84 8.425 8.425 8.257 0.168 25483 5985 1 12 . 1 1 85 85 LEU N N 85 126.393 126.393 123.143 3.250 25483 5986 1 12 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.121 0.234 25483 5987 1 12 . 1 1 85 85 LEU C C 85 178.692 178.692 177.367 1.325 25483 5988 1 12 . 1 1 85 85 LEU CA C 85 58.409 58.409 57.941 0.468 25483 5989 1 12 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.233 -0.718 25483 5990 1 12 . 1 1 85 85 LEU H H 85 7.577 7.577 7.315 0.262 25483 5991 1 12 . 1 1 86 86 LEU N N 86 117.833 117.833 112.915 4.918 25483 5992 1 12 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.415 -0.532 25483 5993 1 12 . 1 1 86 86 LEU C C 86 177.470 177.470 178.177 -0.707 25483 5994 1 12 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.214 1.567 25483 5995 1 12 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.468 0.334 25483 5996 1 12 . 1 1 86 86 LEU H H 86 8.406 8.406 8.311 0.095 25483 5997 1 12 . 1 1 87 87 LYS N N 87 113.997 113.997 118.479 -4.482 25483 5998 1 12 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.283 0.106 25483 5999 1 12 . 1 1 87 87 LYS C C 87 178.282 178.282 177.248 1.034 25483 6000 1 12 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.227 0.107 25483 6001 1 12 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.641 0.272 25483 6002 1 12 . 1 1 87 87 LYS H H 87 7.548 7.548 7.510 0.038 25483 6003 1 12 . 1 1 88 88 THR N N 88 106.050 106.050 105.082 0.968 25483 6004 1 12 . 1 1 88 88 THR HA H 88 4.545 4.545 4.562 -0.017 25483 6005 1 12 . 1 1 88 88 THR C C 88 176.566 176.566 174.562 2.004 25483 6006 1 12 . 1 1 88 88 THR CA C 88 62.396 62.396 62.066 0.330 25483 6007 1 12 . 1 1 88 88 THR CB C 88 72.438 72.438 72.007 0.431 25483 6008 1 12 . 1 1 88 88 THR H H 88 8.178 8.178 8.065 0.113 25483 6009 1 12 . 1 1 89 89 GLY N N 89 112.811 112.811 111.963 0.848 25483 6010 1 12 . 1 1 89 89 GLY C C 89 171.985 171.985 172.706 -0.721 25483 6011 1 12 . 1 1 89 89 GLY CA C 89 46.816 46.816 44.993 1.823 25483 6012 1 12 . 1 1 89 89 GLY H H 89 9.153 9.153 8.255 0.898 25483 6013 1 12 . 1 1 90 90 LYS N N 90 117.650 117.650 121.721 -4.071 25483 6014 1 12 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.610 -0.100 25483 6015 1 12 . 1 1 90 90 LYS C C 90 174.330 174.330 175.710 -1.380 25483 6016 1 12 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.575 0.034 25483 6017 1 12 . 1 1 90 90 LYS CB C 90 35.701 35.701 34.655 1.046 25483 6018 1 12 . 1 1 90 90 LYS H H 90 7.940 7.940 8.102 -0.162 25483 6019 1 12 . 1 1 91 91 LEU N N 91 123.149 123.149 124.247 -1.098 25483 6020 1 12 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.374 0.095 25483 6021 1 12 . 1 1 91 91 LEU C C 91 175.848 175.848 176.682 -0.834 25483 6022 1 12 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.473 -0.873 25483 6023 1 12 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.293 0.718 25483 6024 1 12 . 1 1 91 91 LEU H H 91 8.501 8.501 8.542 -0.041 25483 6025 1 13 . 1 1 3 3 GLY N N 3 110.312 110.312 107.447 2.865 25483 6026 1 13 . 1 1 3 3 GLY C C 3 174.169 174.169 173.723 0.446 25483 6027 1 13 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.373 1.102 25483 6028 1 13 . 1 1 3 3 GLY H H 3 8.679 8.679 7.763 0.916 25483 6029 1 13 . 1 1 4 4 SER N N 4 115.617 115.617 114.873 0.744 25483 6030 1 13 . 1 1 4 4 SER HA H 4 4.499 4.499 4.490 0.009 25483 6031 1 13 . 1 1 4 4 SER C C 4 174.408 174.408 175.159 -0.751 25483 6032 1 13 . 1 1 4 4 SER CA C 4 58.541 58.541 58.535 0.006 25483 6033 1 13 . 1 1 4 4 SER CB C 4 63.920 63.920 63.804 0.116 25483 6034 1 13 . 1 1 4 4 SER H H 4 8.237 8.237 8.530 -0.293 25483 6035 1 13 . 1 1 5 5 MET N N 5 121.390 121.390 121.556 -0.166 25483 6036 1 13 . 1 1 5 5 MET HA H 5 4.702 4.702 4.474 0.228 25483 6037 1 13 . 1 1 5 5 MET C C 5 176.122 176.122 177.101 -0.979 25483 6038 1 13 . 1 1 5 5 MET CA C 5 55.600 55.600 55.363 0.237 25483 6039 1 13 . 1 1 5 5 MET CB C 5 34.357 34.357 33.150 1.207 25483 6040 1 13 . 1 1 5 5 MET H H 5 8.309 8.309 7.653 0.656 25483 6041 1 13 . 1 1 6 6 VAL N N 6 117.990 117.990 117.129 0.861 25483 6042 1 13 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.257 -0.056 25483 6043 1 13 . 1 1 6 6 VAL C C 6 174.450 174.450 174.766 -0.316 25483 6044 1 13 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.904 -0.486 25483 6045 1 13 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.755 -0.170 25483 6046 1 13 . 1 1 6 6 VAL H H 6 8.175 8.175 8.347 -0.172 25483 6047 1 13 . 1 1 7 7 ASP N N 7 121.785 121.785 120.279 1.506 25483 6048 1 13 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.833 -0.265 25483 6049 1 13 . 1 1 7 7 ASP C C 7 175.866 175.866 174.886 0.980 25483 6050 1 13 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.344 1.824 25483 6051 1 13 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.907 -2.308 25483 6052 1 13 . 1 1 7 7 ASP H H 7 8.332 8.332 8.237 0.095 25483 6053 1 13 . 1 1 8 8 VAL N N 8 124.023 124.023 122.939 1.084 25483 6054 1 13 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.818 0.180 25483 6055 1 13 . 1 1 8 8 VAL C C 8 174.859 174.859 175.942 -1.083 25483 6056 1 13 . 1 1 8 8 VAL CA C 8 61.461 61.461 61.386 0.075 25483 6057 1 13 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.224 1.097 25483 6058 1 13 . 1 1 8 8 VAL H H 8 8.658 8.658 8.578 0.080 25483 6059 1 13 . 1 1 9 9 ILE N N 9 129.744 129.744 127.513 2.231 25483 6060 1 13 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.554 0.457 25483 6061 1 13 . 1 1 9 9 ILE C C 9 174.323 174.323 174.064 0.259 25483 6062 1 13 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.609 -0.912 25483 6063 1 13 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.549 -1.270 25483 6064 1 13 . 1 1 9 9 ILE H H 9 9.306 9.306 9.101 0.205 25483 6065 1 13 . 1 1 10 10 ILE N N 10 123.657 123.657 122.192 1.465 25483 6066 1 13 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.362 0.037 25483 6067 1 13 . 1 1 10 10 ILE C C 10 173.066 173.066 173.902 -0.836 25483 6068 1 13 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.412 0.077 25483 6069 1 13 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.952 -1.155 25483 6070 1 13 . 1 1 10 10 ILE H H 10 8.734 8.734 9.015 -0.281 25483 6071 1 13 . 1 1 11 11 TYR N N 11 128.973 128.973 128.279 0.694 25483 6072 1 13 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.869 0.818 25483 6073 1 13 . 1 1 11 11 TYR C C 11 176.756 176.756 174.301 2.455 25483 6074 1 13 . 1 1 11 11 TYR CA C 11 57.408 57.408 57.809 -0.401 25483 6075 1 13 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.108 2.176 25483 6076 1 13 . 1 1 11 11 TYR H H 11 9.292 9.292 8.642 0.650 25483 6077 1 13 . 1 1 12 12 THR N N 12 112.725 112.725 114.493 -1.768 25483 6078 1 13 . 1 1 12 12 THR HA H 12 5.732 5.732 4.466 1.266 25483 6079 1 13 . 1 1 12 12 THR C C 12 172.866 172.866 172.483 0.383 25483 6080 1 13 . 1 1 12 12 THR CA C 12 59.671 59.671 61.089 -1.418 25483 6081 1 13 . 1 1 12 12 THR CB C 12 72.735 72.735 70.199 2.536 25483 6082 1 13 . 1 1 12 12 THR H H 12 9.253 9.253 7.699 1.554 25483 6083 1 13 . 1 1 13 13 ARG N N 13 116.857 116.857 124.043 -7.186 25483 6084 1 13 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.384 0.401 25483 6085 1 13 . 1 1 13 13 ARG C C 13 173.407 173.407 175.129 -1.722 25483 6086 1 13 . 1 1 13 13 ARG CA C 13 53.254 53.254 55.623 -2.369 25483 6087 1 13 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.412 1.185 25483 6088 1 13 . 1 1 13 13 ARG H H 13 8.695 8.695 8.506 0.189 25483 6089 1 13 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.366 -0.205 25483 6090 1 13 . 1 1 14 14 PRO C C 14 177.642 177.642 176.669 0.973 25483 6091 1 13 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.000 -5.022 25483 6092 1 13 . 1 1 14 14 PRO CB C 14 30.197 30.197 30.122 0.075 25483 6093 1 13 . 1 1 15 15 GLY N N 15 108.958 108.958 111.839 -2.881 25483 6094 1 13 . 1 1 15 15 GLY C C 15 173.520 173.520 173.810 -0.290 25483 6095 1 13 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.254 0.779 25483 6096 1 13 . 1 1 15 15 GLY H H 15 8.534 8.534 8.528 0.006 25483 6097 1 13 . 1 1 16 16 CYS N N 16 122.701 122.701 120.775 1.926 25483 6098 1 13 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.343 0.692 25483 6099 1 13 . 1 1 16 16 CYS C C 16 175.994 175.994 173.341 2.653 25483 6100 1 13 . 1 1 16 16 CYS CA C 16 55.218 55.218 60.104 -4.886 25483 6101 1 13 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.482 4.232 25483 6102 1 13 . 1 1 16 16 CYS H H 16 7.476 7.476 8.851 -1.375 25483 6103 1 13 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.360 -0.020 25483 6104 1 13 . 1 1 17 17 PRO C C 17 178.531 178.531 176.689 1.842 25483 6105 1 13 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.537 1.994 25483 6106 1 13 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.145 -0.005 25483 6107 1 13 . 1 1 18 18 TYR N N 18 121.799 121.799 117.878 3.921 25483 6108 1 13 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.604 -0.182 25483 6109 1 13 . 1 1 18 18 TYR C C 18 178.508 178.508 175.167 3.341 25483 6110 1 13 . 1 1 18 18 TYR CA C 18 61.076 61.076 57.604 3.472 25483 6111 1 13 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.531 1.902 25483 6112 1 13 . 1 1 18 18 TYR H H 18 8.148 8.148 8.686 -0.538 25483 6113 1 13 . 1 1 19 19 CYS N N 19 122.966 122.966 114.358 8.608 25483 6114 1 13 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.820 -0.818 25483 6115 1 13 . 1 1 19 19 CYS C C 19 177.642 177.642 175.800 1.842 25483 6116 1 13 . 1 1 19 19 CYS CA C 19 64.471 64.471 56.533 7.938 25483 6117 1 13 . 1 1 19 19 CYS CB C 19 31.017 31.017 28.812 2.205 25483 6118 1 13 . 1 1 19 19 CYS H H 19 7.833 7.833 7.670 0.163 25483 6119 1 13 . 1 1 20 20 ALA N N 20 121.738 121.738 125.928 -4.190 25483 6120 1 13 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.259 -0.109 25483 6121 1 13 . 1 1 20 20 ALA C C 20 180.531 180.531 178.984 1.547 25483 6122 1 13 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.319 1.264 25483 6123 1 13 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.677 -0.648 25483 6124 1 13 . 1 1 20 20 ALA H H 20 7.080 7.080 8.439 -1.359 25483 6125 1 13 . 1 1 21 21 ARG N N 21 119.812 119.812 118.738 1.074 25483 6126 1 13 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.090 0.152 25483 6127 1 13 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.292 -1.367 25483 6128 1 13 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.074 0.794 25483 6129 1 13 . 1 1 21 21 ARG H H 21 8.039 8.039 8.509 -0.470 25483 6130 1 13 . 1 1 22 22 ALA N N 22 124.459 124.459 122.250 2.209 25483 6131 1 13 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.995 0.145 25483 6132 1 13 . 1 1 22 22 ALA C C 22 178.267 178.267 179.386 -1.119 25483 6133 1 13 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.642 1.029 25483 6134 1 13 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.256 0.970 25483 6135 1 13 . 1 1 22 22 ALA H H 22 7.768 7.768 8.371 -0.603 25483 6136 1 13 . 1 1 23 23 LYS N N 23 116.014 116.014 118.419 -2.405 25483 6137 1 13 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.588 -0.287 25483 6138 1 13 . 1 1 23 23 LYS C C 23 177.995 177.995 178.720 -0.725 25483 6139 1 13 . 1 1 23 23 LYS CA C 23 60.722 60.722 58.239 2.483 25483 6140 1 13 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.687 -0.037 25483 6141 1 13 . 1 1 23 23 LYS H H 23 7.984 7.984 7.485 0.499 25483 6142 1 13 . 1 1 24 24 ALA N N 24 120.042 120.042 122.093 -2.051 25483 6143 1 13 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.098 0.112 25483 6144 1 13 . 1 1 24 24 ALA C C 24 180.610 180.610 179.803 0.807 25483 6145 1 13 . 1 1 24 24 ALA CA C 24 54.865 54.865 55.038 -0.173 25483 6146 1 13 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.172 -0.236 25483 6147 1 13 . 1 1 24 24 ALA H H 24 8.040 8.040 8.269 -0.229 25483 6148 1 13 . 1 1 25 25 LEU N N 25 119.514 119.514 120.043 -0.529 25483 6149 1 13 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.974 0.178 25483 6150 1 13 . 1 1 25 25 LEU C C 25 177.834 177.834 178.599 -0.765 25483 6151 1 13 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.802 -0.114 25483 6152 1 13 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.953 -1.218 25483 6153 1 13 . 1 1 25 25 LEU H H 25 7.150 7.150 7.380 -0.230 25483 6154 1 13 . 1 1 26 26 LEU N N 26 117.253 117.253 118.703 -1.450 25483 6155 1 13 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.801 -0.048 25483 6156 1 13 . 1 1 26 26 LEU C C 26 178.553 178.553 178.659 -0.106 25483 6157 1 13 . 1 1 26 26 LEU CA C 26 58.475 58.475 58.113 0.362 25483 6158 1 13 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.555 -0.491 25483 6159 1 13 . 1 1 26 26 LEU H H 26 7.576 7.576 7.800 -0.224 25483 6160 1 13 . 1 1 27 27 ALA N N 27 119.606 119.606 118.993 0.613 25483 6161 1 13 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.296 0.045 25483 6162 1 13 . 1 1 27 27 ALA C C 27 182.219 182.219 180.287 1.932 25483 6163 1 13 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.616 0.710 25483 6164 1 13 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.567 -0.459 25483 6165 1 13 . 1 1 27 27 ALA H H 27 8.629 8.629 8.265 0.364 25483 6166 1 13 . 1 1 28 28 ARG N N 28 121.081 121.081 119.936 1.145 25483 6167 1 13 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.172 -0.007 25483 6168 1 13 . 1 1 28 28 ARG C C 28 178.659 178.659 177.492 1.167 25483 6169 1 13 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.221 0.960 25483 6170 1 13 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.127 -0.207 25483 6171 1 13 . 1 1 28 28 ARG H H 28 7.992 7.992 7.491 0.501 25483 6172 1 13 . 1 1 29 29 LYS N N 29 115.790 115.790 116.669 -0.879 25483 6173 1 13 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.440 -0.206 25483 6174 1 13 . 1 1 29 29 LYS C C 29 176.666 176.666 176.121 0.545 25483 6175 1 13 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.840 -0.895 25483 6176 1 13 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.247 -0.806 25483 6177 1 13 . 1 1 29 29 LYS H H 29 7.663 7.663 7.755 -0.092 25483 6178 1 13 . 1 1 30 30 GLY N N 30 107.767 107.767 108.037 -0.270 25483 6179 1 13 . 1 1 30 30 GLY C C 30 174.014 174.014 174.923 -0.909 25483 6180 1 13 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.803 -0.398 25483 6181 1 13 . 1 1 30 30 GLY H H 30 7.930 7.930 7.428 0.502 25483 6182 1 13 . 1 1 31 31 ALA N N 31 122.192 122.192 121.346 0.846 25483 6183 1 13 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.333 0.170 25483 6184 1 13 . 1 1 31 31 ALA C C 31 176.691 176.691 176.146 0.545 25483 6185 1 13 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.116 -0.485 25483 6186 1 13 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.414 -0.476 25483 6187 1 13 . 1 1 31 31 ALA H H 31 7.844 7.844 7.644 0.200 25483 6188 1 13 . 1 1 32 32 GLU N N 32 123.903 123.903 119.352 4.551 25483 6189 1 13 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.382 -0.147 25483 6190 1 13 . 1 1 32 32 GLU C C 32 176.080 176.080 175.459 0.621 25483 6191 1 13 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.807 -0.072 25483 6192 1 13 . 1 1 32 32 GLU CB C 32 29.777 29.777 32.043 -2.266 25483 6193 1 13 . 1 1 32 32 GLU H H 32 8.337 8.337 8.648 -0.311 25483 6194 1 13 . 1 1 33 33 PHE N N 33 116.634 116.634 114.533 2.101 25483 6195 1 13 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.149 0.083 25483 6196 1 13 . 1 1 33 33 PHE C C 33 173.397 173.397 173.663 -0.266 25483 6197 1 13 . 1 1 33 33 PHE CA C 33 55.221 55.221 56.389 -1.168 25483 6198 1 13 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.289 0.219 25483 6199 1 13 . 1 1 33 33 PHE H H 33 7.640 7.640 7.485 0.155 25483 6200 1 13 . 1 1 34 34 ASN N N 34 120.133 120.133 119.589 0.544 25483 6201 1 13 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.942 0.029 25483 6202 1 13 . 1 1 34 34 ASN C C 34 173.199 173.199 173.976 -0.777 25483 6203 1 13 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.238 -0.058 25483 6204 1 13 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.570 -1.730 25483 6205 1 13 . 1 1 34 34 ASN H H 34 8.921 8.921 8.474 0.447 25483 6206 1 13 . 1 1 35 35 GLU N N 35 126.204 126.204 123.948 2.256 25483 6207 1 13 . 1 1 35 35 GLU HA H 35 5.178 5.178 5.012 0.166 25483 6208 1 13 . 1 1 35 35 GLU C C 35 175.185 175.185 175.988 -0.803 25483 6209 1 13 . 1 1 35 35 GLU CA C 35 54.551 54.551 55.546 -0.995 25483 6210 1 13 . 1 1 35 35 GLU CB C 35 31.437 31.437 30.862 0.575 25483 6211 1 13 . 1 1 35 35 GLU H H 35 8.758 8.758 8.655 0.103 25483 6212 1 13 . 1 1 36 36 ILE N N 36 130.012 130.012 124.507 5.505 25483 6213 1 13 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.143 0.018 25483 6214 1 13 . 1 1 36 36 ILE C C 36 174.987 174.987 175.217 -0.230 25483 6215 1 13 . 1 1 36 36 ILE CA C 36 60.183 60.183 60.253 -0.070 25483 6216 1 13 . 1 1 36 36 ILE CB C 36 40.273 40.273 40.154 0.119 25483 6217 1 13 . 1 1 36 36 ILE H H 36 9.080 9.080 7.949 1.131 25483 6218 1 13 . 1 1 37 37 ASP N N 37 125.921 125.921 129.314 -3.393 25483 6219 1 13 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.571 0.431 25483 6220 1 13 . 1 1 37 37 ASP C C 37 176.847 176.847 175.221 1.626 25483 6221 1 13 . 1 1 37 37 ASP CA C 37 52.878 52.878 55.153 -2.275 25483 6222 1 13 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.093 -0.803 25483 6223 1 13 . 1 1 37 37 ASP H H 37 8.515 8.515 8.670 -0.155 25483 6224 1 13 . 1 1 38 38 ALA N N 38 130.525 130.525 125.251 5.274 25483 6225 1 13 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.543 0.115 25483 6226 1 13 . 1 1 38 38 ALA C C 38 175.507 175.507 177.181 -1.674 25483 6227 1 13 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.181 0.739 25483 6228 1 13 . 1 1 38 38 ALA CB C 38 20.612 20.612 21.114 -0.502 25483 6229 1 13 . 1 1 38 38 ALA H H 38 8.845 8.845 7.702 1.143 25483 6230 1 13 . 1 1 39 39 SER N N 39 111.653 111.653 111.480 0.173 25483 6231 1 13 . 1 1 39 39 SER HA H 39 4.425 4.425 4.168 0.257 25483 6232 1 13 . 1 1 39 39 SER C C 39 176.988 176.988 174.609 2.379 25483 6233 1 13 . 1 1 39 39 SER CA C 39 59.504 59.504 59.545 -0.041 25483 6234 1 13 . 1 1 39 39 SER CB C 39 64.768 64.768 62.651 2.117 25483 6235 1 13 . 1 1 39 39 SER H H 39 8.727 8.727 9.195 -0.468 25483 6236 1 13 . 1 1 40 40 ALA N N 40 124.164 124.164 120.697 3.467 25483 6237 1 13 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.644 -0.415 25483 6238 1 13 . 1 1 40 40 ALA C C 40 178.039 178.039 176.772 1.267 25483 6239 1 13 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.839 2.008 25483 6240 1 13 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.147 0.231 25483 6241 1 13 . 1 1 40 40 ALA H H 40 7.543 7.543 8.359 -0.816 25483 6242 1 13 . 1 1 41 41 THR N N 41 106.060 106.060 111.293 -5.233 25483 6243 1 13 . 1 1 41 41 THR HA H 41 5.006 5.006 4.531 0.475 25483 6244 1 13 . 1 1 41 41 THR C C 41 173.200 173.200 172.221 0.979 25483 6245 1 13 . 1 1 41 41 THR CA C 41 57.856 57.856 60.203 -2.347 25483 6246 1 13 . 1 1 41 41 THR CB C 41 70.541 70.541 69.393 1.148 25483 6247 1 13 . 1 1 41 41 THR H H 41 7.162 7.162 7.679 -0.517 25483 6248 1 13 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.490 -0.165 25483 6249 1 13 . 1 1 42 42 PRO C C 42 179.534 179.534 177.963 1.571 25483 6250 1 13 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.312 0.495 25483 6251 1 13 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.006 -0.265 25483 6252 1 13 . 1 1 43 43 GLU N N 43 118.723 118.723 120.481 -1.758 25483 6253 1 13 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.127 -0.019 25483 6254 1 13 . 1 1 43 43 GLU C C 43 179.692 179.692 177.947 1.745 25483 6255 1 13 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.022 1.699 25483 6256 1 13 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.181 -0.630 25483 6257 1 13 . 1 1 43 43 GLU H H 43 9.124 9.124 8.415 0.709 25483 6258 1 13 . 1 1 44 44 LEU N N 44 121.970 121.970 117.969 4.001 25483 6259 1 13 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.617 -0.277 25483 6260 1 13 . 1 1 44 44 LEU C C 44 178.924 178.924 178.890 0.034 25483 6261 1 13 . 1 1 44 44 LEU CA C 44 57.472 57.472 55.846 1.627 25483 6262 1 13 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.947 0.485 25483 6263 1 13 . 1 1 44 44 LEU H H 44 7.838 7.838 7.563 0.275 25483 6264 1 13 . 1 1 45 45 ARG N N 45 122.130 122.130 120.200 1.930 25483 6265 1 13 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.988 0.105 25483 6266 1 13 . 1 1 45 45 ARG C C 45 178.955 178.955 178.106 0.849 25483 6267 1 13 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.396 0.728 25483 6268 1 13 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.179 -0.032 25483 6269 1 13 . 1 1 45 45 ARG H H 45 7.762 7.762 7.810 -0.048 25483 6270 1 13 . 1 1 46 46 ALA N N 46 121.165 121.165 118.742 2.423 25483 6271 1 13 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.461 -0.325 25483 6272 1 13 . 1 1 46 46 ALA C C 46 179.912 179.912 178.824 1.088 25483 6273 1 13 . 1 1 46 46 ALA CA C 46 54.945 54.945 53.419 1.526 25483 6274 1 13 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.440 -0.728 25483 6275 1 13 . 1 1 46 46 ALA H H 46 8.160 8.160 7.713 0.447 25483 6276 1 13 . 1 1 47 47 GLU N N 47 120.906 120.906 119.785 1.121 25483 6277 1 13 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.191 -0.138 25483 6278 1 13 . 1 1 47 47 GLU C C 47 178.039 178.039 178.299 -0.260 25483 6279 1 13 . 1 1 47 47 GLU CA C 47 59.500 59.500 58.684 0.816 25483 6280 1 13 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.852 -0.041 25483 6281 1 13 . 1 1 47 47 GLU H H 47 7.918 7.918 8.052 -0.134 25483 6282 1 13 . 1 1 48 48 MET N N 48 118.645 118.645 116.047 2.598 25483 6283 1 13 . 1 1 48 48 MET HA H 48 2.897 2.897 4.762 -1.865 25483 6284 1 13 . 1 1 48 48 MET C C 48 180.282 180.282 178.118 2.164 25483 6285 1 13 . 1 1 48 48 MET CA C 48 59.540 59.540 57.700 1.840 25483 6286 1 13 . 1 1 48 48 MET CB C 48 33.502 33.502 33.543 -0.041 25483 6287 1 13 . 1 1 48 48 MET H H 48 8.047 8.047 7.568 0.479 25483 6288 1 13 . 1 1 49 49 GLN N N 49 122.104 122.104 119.893 2.211 25483 6289 1 13 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.092 0.247 25483 6290 1 13 . 1 1 49 49 GLN C C 49 178.780 178.780 177.463 1.317 25483 6291 1 13 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.409 0.335 25483 6292 1 13 . 1 1 49 49 GLN CB C 49 28.238 28.238 27.990 0.248 25483 6293 1 13 . 1 1 49 49 GLN H H 49 8.237 8.237 8.022 0.215 25483 6294 1 13 . 1 1 50 50 GLU N N 50 121.947 121.947 119.378 2.569 25483 6295 1 13 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.110 -0.141 25483 6296 1 13 . 1 1 50 50 GLU C C 50 178.863 178.863 177.661 1.202 25483 6297 1 13 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.829 0.302 25483 6298 1 13 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.626 0.093 25483 6299 1 13 . 1 1 50 50 GLU H H 50 8.659 8.659 8.069 0.590 25483 6300 1 13 . 1 1 51 51 ARG N N 51 115.832 115.832 117.040 -1.208 25483 6301 1 13 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.457 -0.397 25483 6302 1 13 . 1 1 51 51 ARG C C 51 177.748 177.748 178.586 -0.838 25483 6303 1 13 . 1 1 51 51 ARG CA C 51 58.480 58.480 56.478 2.002 25483 6304 1 13 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.333 0.825 25483 6305 1 13 . 1 1 51 51 ARG H H 51 8.231 8.231 8.337 -0.106 25483 6306 1 13 . 1 1 52 52 SER N N 52 109.790 109.790 113.993 -4.203 25483 6307 1 13 . 1 1 52 52 SER HA H 52 3.759 3.759 4.182 -0.423 25483 6308 1 13 . 1 1 52 52 SER C C 52 174.149 174.149 176.145 -1.996 25483 6309 1 13 . 1 1 52 52 SER CA C 52 58.883 58.883 61.162 -2.279 25483 6310 1 13 . 1 1 52 52 SER CB C 52 66.744 66.744 63.450 3.294 25483 6311 1 13 . 1 1 52 52 SER H H 52 8.032 8.032 8.020 0.012 25483 6312 1 13 . 1 1 53 53 GLY N N 53 112.524 112.524 108.820 3.704 25483 6313 1 13 . 1 1 53 53 GLY C C 53 173.690 173.690 175.222 -1.532 25483 6314 1 13 . 1 1 53 53 GLY CA C 53 46.093 46.093 46.447 -0.354 25483 6315 1 13 . 1 1 53 53 GLY H H 53 8.239 8.239 8.322 -0.083 25483 6316 1 13 . 1 1 54 54 ARG N N 54 119.453 119.453 122.159 -2.706 25483 6317 1 13 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.182 0.471 25483 6318 1 13 . 1 1 54 54 ARG C C 54 174.144 174.144 175.718 -1.574 25483 6319 1 13 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.561 -1.901 25483 6320 1 13 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.642 4.613 25483 6321 1 13 . 1 1 54 54 ARG H H 54 8.309 8.309 8.001 0.308 25483 6322 1 13 . 1 1 55 55 ASN N N 55 112.521 112.521 112.745 -0.224 25483 6323 1 13 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.337 0.356 25483 6324 1 13 . 1 1 55 55 ASN C C 55 175.197 175.197 175.260 -0.063 25483 6325 1 13 . 1 1 55 55 ASN CA C 55 51.681 51.681 53.620 -1.939 25483 6326 1 13 . 1 1 55 55 ASN CB C 55 39.468 39.468 36.945 2.523 25483 6327 1 13 . 1 1 55 55 ASN H H 55 8.154 8.154 7.812 0.342 25483 6328 1 13 . 1 1 56 56 THR N N 56 107.919 107.919 113.153 -5.234 25483 6329 1 13 . 1 1 56 56 THR HA H 56 4.356 4.356 3.927 0.429 25483 6330 1 13 . 1 1 56 56 THR C C 56 172.477 172.477 174.030 -1.553 25483 6331 1 13 . 1 1 56 56 THR CA C 56 59.438 59.438 64.427 -4.989 25483 6332 1 13 . 1 1 56 56 THR CB C 56 70.636 70.636 69.151 1.484 25483 6333 1 13 . 1 1 56 56 THR H H 56 6.778 6.778 7.903 -1.125 25483 6334 1 13 . 1 1 57 57 PHE N N 57 117.789 117.789 115.201 2.588 25483 6335 1 13 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.068 -0.343 25483 6336 1 13 . 1 1 57 57 PHE C C 57 174.241 174.241 172.807 1.434 25483 6337 1 13 . 1 1 57 57 PHE CA C 57 55.088 55.088 52.955 2.133 25483 6338 1 13 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.338 5.168 25483 6339 1 13 . 1 1 57 57 PHE H H 57 8.469 8.469 6.780 1.689 25483 6340 1 13 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.660 0.953 25483 6341 1 13 . 1 1 58 58 PRO C C 58 177.062 177.062 176.163 0.899 25483 6342 1 13 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.744 0.438 25483 6343 1 13 . 1 1 58 58 PRO CB C 58 36.461 36.461 32.910 3.551 25483 6344 1 13 . 1 1 59 59 GLN N N 59 112.113 112.113 119.640 -7.527 25483 6345 1 13 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.607 0.213 25483 6346 1 13 . 1 1 59 59 GLN C C 59 175.655 175.655 175.667 -0.012 25483 6347 1 13 . 1 1 59 59 GLN CA C 59 55.168 55.168 55.074 0.094 25483 6348 1 13 . 1 1 59 59 GLN CB C 59 31.479 31.479 29.458 2.021 25483 6349 1 13 . 1 1 59 59 GLN H H 59 8.041 8.041 8.387 -0.346 25483 6350 1 13 . 1 1 60 60 ILE N N 60 123.134 123.134 127.022 -3.888 25483 6351 1 13 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.323 0.635 25483 6352 1 13 . 1 1 60 60 ILE C C 60 174.350 174.350 174.697 -0.347 25483 6353 1 13 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.892 1.282 25483 6354 1 13 . 1 1 60 60 ILE CB C 60 40.828 40.828 37.620 3.208 25483 6355 1 13 . 1 1 60 60 ILE H H 60 8.940 8.940 8.017 0.923 25483 6356 1 13 . 1 1 61 61 PHE N N 61 128.163 128.163 126.449 1.714 25483 6357 1 13 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.982 0.411 25483 6358 1 13 . 1 1 61 61 PHE C C 61 174.659 174.659 174.500 0.159 25483 6359 1 13 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.790 -0.144 25483 6360 1 13 . 1 1 61 61 PHE CB C 61 41.735 41.735 44.107 -2.372 25483 6361 1 13 . 1 1 61 61 PHE H H 61 9.645 9.645 9.336 0.309 25483 6362 1 13 . 1 1 62 62 ILE N N 62 122.592 122.592 122.037 0.555 25483 6363 1 13 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.769 -0.139 25483 6364 1 13 . 1 1 62 62 ILE C C 62 175.360 175.360 176.381 -1.021 25483 6365 1 13 . 1 1 62 62 ILE CA C 62 61.008 61.008 60.680 0.328 25483 6366 1 13 . 1 1 62 62 ILE CB C 62 39.569 39.569 40.195 -0.626 25483 6367 1 13 . 1 1 62 62 ILE H H 62 9.066 9.066 8.071 0.995 25483 6368 1 13 . 1 1 63 63 GLY N N 63 116.263 116.263 118.775 -2.512 25483 6369 1 13 . 1 1 63 63 GLY C C 63 175.630 175.630 174.703 0.927 25483 6370 1 13 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.881 0.372 25483 6371 1 13 . 1 1 63 63 GLY H H 63 9.307 9.307 8.645 0.662 25483 6372 1 13 . 1 1 64 64 SER N N 64 122.053 122.053 119.577 2.476 25483 6373 1 13 . 1 1 64 64 SER HA H 64 4.566 4.566 4.806 -0.240 25483 6374 1 13 . 1 1 64 64 SER C C 64 173.891 173.891 174.027 -0.136 25483 6375 1 13 . 1 1 64 64 SER CA C 64 59.071 59.071 57.775 1.296 25483 6376 1 13 . 1 1 64 64 SER CB C 64 63.895 63.895 64.199 -0.304 25483 6377 1 13 . 1 1 64 64 SER H H 64 9.236 9.236 8.463 0.773 25483 6378 1 13 . 1 1 65 65 VAL N N 65 124.553 124.553 122.335 2.218 25483 6379 1 13 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.407 -0.330 25483 6380 1 13 . 1 1 65 65 VAL C C 65 175.294 175.294 174.252 1.042 25483 6381 1 13 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.482 1.253 25483 6382 1 13 . 1 1 65 65 VAL CB C 65 33.078 33.078 35.197 -2.119 25483 6383 1 13 . 1 1 65 65 VAL H H 65 8.494 8.494 7.940 0.554 25483 6384 1 13 . 1 1 66 66 HIS N N 66 102.561 102.561 125.952 -23.391 25483 6385 1 13 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.032 0.330 25483 6386 1 13 . 1 1 66 66 HIS CA C 66 54.613 54.613 54.895 -0.283 25483 6387 1 13 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.585 0.355 25483 6388 1 13 . 1 1 66 66 HIS H H 66 8.966 8.966 8.589 0.377 25483 6389 1 13 . 1 1 67 67 VAL N N 67 130.151 130.151 128.484 1.667 25483 6390 1 13 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.271 -0.841 25483 6391 1 13 . 1 1 67 67 VAL C C 67 174.677 174.677 173.646 1.031 25483 6392 1 13 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.755 3.274 25483 6393 1 13 . 1 1 67 67 VAL CB C 67 32.426 32.426 33.616 -1.190 25483 6394 1 13 . 1 1 67 67 VAL H H 67 8.214 8.214 7.453 0.761 25483 6395 1 13 . 1 1 68 68 GLY N N 68 102.768 102.768 115.787 -13.019 25483 6396 1 13 . 1 1 68 68 GLY C C 68 173.023 173.023 173.582 -0.559 25483 6397 1 13 . 1 1 68 68 GLY CA C 68 43.780 43.780 44.626 -0.846 25483 6398 1 13 . 1 1 68 68 GLY H H 68 6.436 6.436 8.283 -1.847 25483 6399 1 13 . 1 1 69 69 GLY N N 69 110.061 110.061 110.655 -0.594 25483 6400 1 13 . 1 1 69 69 GLY C C 69 175.375 175.375 174.166 1.209 25483 6401 1 13 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.326 -0.403 25483 6402 1 13 . 1 1 69 69 GLY H H 69 9.004 9.004 7.414 1.590 25483 6403 1 13 . 1 1 70 70 SER N N 70 113.592 113.592 118.923 -5.331 25483 6404 1 13 . 1 1 70 70 SER HA H 70 3.894 3.894 3.983 -0.089 25483 6405 1 13 . 1 1 70 70 SER CA C 70 62.816 62.816 61.861 0.955 25483 6406 1 13 . 1 1 70 70 SER H H 70 8.088 8.088 8.310 -0.222 25483 6407 1 13 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.614 -0.210 25483 6408 1 13 . 1 1 71 71 ASP C C 71 179.115 179.115 178.216 0.899 25483 6409 1 13 . 1 1 71 71 ASP CA C 71 57.610 57.610 56.814 0.796 25483 6410 1 13 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.236 -0.911 25483 6411 1 13 . 1 1 72 72 ASP N N 72 119.325 119.325 121.022 -1.697 25483 6412 1 13 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.425 -0.079 25483 6413 1 13 . 1 1 72 72 ASP C C 72 177.816 177.816 178.428 -0.612 25483 6414 1 13 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.745 0.468 25483 6415 1 13 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.658 0.751 25483 6416 1 13 . 1 1 72 72 ASP H H 72 7.232 7.232 7.756 -0.524 25483 6417 1 13 . 1 1 73 73 LEU N N 73 121.336 121.336 120.757 0.579 25483 6418 1 13 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.950 -0.177 25483 6419 1 13 . 1 1 73 73 LEU C C 73 177.957 177.957 178.199 -0.242 25483 6420 1 13 . 1 1 73 73 LEU CA C 73 58.354 58.354 57.996 0.358 25483 6421 1 13 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.994 0.182 25483 6422 1 13 . 1 1 73 73 LEU H H 73 7.789 7.789 7.583 0.206 25483 6423 1 13 . 1 1 74 74 TYR N N 74 116.570 116.570 117.711 -1.141 25483 6424 1 13 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.163 -0.414 25483 6425 1 13 . 1 1 74 74 TYR C C 74 178.275 178.275 177.534 0.741 25483 6426 1 13 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.255 1.443 25483 6427 1 13 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.972 -0.461 25483 6428 1 13 . 1 1 74 74 TYR H H 74 8.318 8.318 7.467 0.851 25483 6429 1 13 . 1 1 75 75 ALA N N 75 122.593 122.593 122.568 0.025 25483 6430 1 13 . 1 1 75 75 ALA HA H 75 4.255 4.255 4.007 0.248 25483 6431 1 13 . 1 1 75 75 ALA C C 75 180.162 180.162 179.024 1.138 25483 6432 1 13 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.092 0.511 25483 6433 1 13 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.216 -0.587 25483 6434 1 13 . 1 1 75 75 ALA H H 75 8.082 8.082 7.634 0.448 25483 6435 1 13 . 1 1 76 76 LEU N N 76 116.647 116.647 119.185 -2.538 25483 6436 1 13 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.796 0.259 25483 6437 1 13 . 1 1 76 76 LEU C C 76 179.538 179.538 178.838 0.700 25483 6438 1 13 . 1 1 76 76 LEU CA C 76 57.856 57.856 58.014 -0.158 25483 6439 1 13 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.515 1.162 25483 6440 1 13 . 1 1 76 76 LEU H H 76 7.389 7.389 7.753 -0.364 25483 6441 1 13 . 1 1 77 77 GLU N N 77 121.342 121.342 118.522 2.820 25483 6442 1 13 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.888 0.709 25483 6443 1 13 . 1 1 77 77 GLU C C 77 179.674 179.674 178.853 0.821 25483 6444 1 13 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.617 -1.586 25483 6445 1 13 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.316 -1.199 25483 6446 1 13 . 1 1 77 77 GLU H H 77 7.461 7.461 7.883 -0.422 25483 6447 1 13 . 1 1 78 78 ASP N N 78 123.339 123.339 119.034 4.305 25483 6448 1 13 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.479 -0.028 25483 6449 1 13 . 1 1 78 78 ASP C C 78 178.412 178.412 178.301 0.111 25483 6450 1 13 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.581 0.889 25483 6451 1 13 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.859 -0.315 25483 6452 1 13 . 1 1 78 78 ASP H H 78 8.650 8.650 7.676 0.974 25483 6453 1 13 . 1 1 79 79 GLU N N 79 115.360 115.360 117.628 -2.268 25483 6454 1 13 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.203 0.129 25483 6455 1 13 . 1 1 79 79 GLU C C 79 176.861 176.861 178.021 -1.160 25483 6456 1 13 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.137 -0.822 25483 6457 1 13 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.215 0.486 25483 6458 1 13 . 1 1 79 79 GLU H H 79 7.791 7.791 7.742 0.049 25483 6459 1 13 . 1 1 80 80 GLY N N 80 108.851 108.851 107.297 1.554 25483 6460 1 13 . 1 1 80 80 GLY C C 80 176.085 176.085 174.198 1.887 25483 6461 1 13 . 1 1 80 80 GLY CA C 80 46.241 46.241 44.958 1.283 25483 6462 1 13 . 1 1 80 80 GLY H H 80 8.078 8.078 8.313 -0.235 25483 6463 1 13 . 1 1 81 81 LYS N N 81 116.858 116.858 119.153 -2.295 25483 6464 1 13 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.697 -0.252 25483 6465 1 13 . 1 1 81 81 LYS C C 81 176.789 176.789 175.577 1.212 25483 6466 1 13 . 1 1 81 81 LYS CA C 81 56.568 56.568 54.920 1.648 25483 6467 1 13 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.258 2.745 25483 6468 1 13 . 1 1 81 81 LYS H H 81 8.216 8.216 8.002 0.214 25483 6469 1 13 . 1 1 82 82 LEU N N 82 122.543 122.543 116.055 6.488 25483 6470 1 13 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.184 -0.143 25483 6471 1 13 . 1 1 82 82 LEU C C 82 177.466 177.466 177.595 -0.129 25483 6472 1 13 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.428 0.069 25483 6473 1 13 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.854 -1.365 25483 6474 1 13 . 1 1 82 82 LEU H H 82 7.516 7.516 7.819 -0.303 25483 6475 1 13 . 1 1 83 83 ASP N N 83 119.643 119.643 120.240 -0.597 25483 6476 1 13 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.291 0.015 25483 6477 1 13 . 1 1 83 83 ASP C C 83 178.744 178.744 177.900 0.844 25483 6478 1 13 . 1 1 83 83 ASP CA C 83 58.738 58.738 56.940 1.798 25483 6479 1 13 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.217 -0.263 25483 6480 1 13 . 1 1 83 83 ASP H H 83 8.662 8.662 8.572 0.090 25483 6481 1 13 . 1 1 84 84 SER N N 84 113.208 113.208 114.981 -1.773 25483 6482 1 13 . 1 1 84 84 SER HA H 84 4.266 4.266 4.181 0.085 25483 6483 1 13 . 1 1 84 84 SER C C 84 177.581 177.581 176.630 0.951 25483 6484 1 13 . 1 1 84 84 SER CA C 84 61.483 61.483 61.081 0.402 25483 6485 1 13 . 1 1 84 84 SER CB C 84 62.667 62.667 62.833 -0.166 25483 6486 1 13 . 1 1 84 84 SER H H 84 8.425 8.425 8.565 -0.140 25483 6487 1 13 . 1 1 85 85 LEU N N 85 126.393 126.393 123.042 3.351 25483 6488 1 13 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.240 0.115 25483 6489 1 13 . 1 1 85 85 LEU C C 85 178.692 178.692 178.017 0.675 25483 6490 1 13 . 1 1 85 85 LEU CA C 85 58.409 58.409 57.769 0.640 25483 6491 1 13 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.260 -0.745 25483 6492 1 13 . 1 1 85 85 LEU H H 85 7.577 7.577 7.419 0.158 25483 6493 1 13 . 1 1 86 86 LEU N N 86 117.833 117.833 113.795 4.038 25483 6494 1 13 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.242 -0.359 25483 6495 1 13 . 1 1 86 86 LEU C C 86 177.470 177.470 178.153 -0.683 25483 6496 1 13 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.933 0.848 25483 6497 1 13 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.400 0.402 25483 6498 1 13 . 1 1 86 86 LEU H H 86 8.406 8.406 8.292 0.114 25483 6499 1 13 . 1 1 87 87 LYS N N 87 113.997 113.997 117.024 -3.027 25483 6500 1 13 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.244 0.145 25483 6501 1 13 . 1 1 87 87 LYS C C 87 178.282 178.282 177.262 1.020 25483 6502 1 13 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.227 0.107 25483 6503 1 13 . 1 1 87 87 LYS CB C 87 33.913 33.913 34.237 -0.324 25483 6504 1 13 . 1 1 87 87 LYS H H 87 7.548 7.548 8.178 -0.630 25483 6505 1 13 . 1 1 88 88 THR N N 88 106.050 106.050 106.598 -0.548 25483 6506 1 13 . 1 1 88 88 THR HA H 88 4.545 4.545 4.473 0.072 25483 6507 1 13 . 1 1 88 88 THR C C 88 176.566 176.566 174.550 2.016 25483 6508 1 13 . 1 1 88 88 THR CA C 88 62.396 62.396 62.455 -0.059 25483 6509 1 13 . 1 1 88 88 THR CB C 88 72.438 72.438 72.749 -0.311 25483 6510 1 13 . 1 1 88 88 THR H H 88 8.178 8.178 7.973 0.205 25483 6511 1 13 . 1 1 89 89 GLY N N 89 112.811 112.811 112.511 0.300 25483 6512 1 13 . 1 1 89 89 GLY C C 89 171.985 171.985 172.507 -0.522 25483 6513 1 13 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.066 1.750 25483 6514 1 13 . 1 1 89 89 GLY H H 89 9.153 9.153 8.225 0.928 25483 6515 1 13 . 1 1 90 90 LYS N N 90 117.650 117.650 124.993 -7.343 25483 6516 1 13 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.740 -0.230 25483 6517 1 13 . 1 1 90 90 LYS C C 90 174.330 174.330 175.119 -0.789 25483 6518 1 13 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.788 -0.179 25483 6519 1 13 . 1 1 90 90 LYS CB C 90 35.701 35.701 35.134 0.567 25483 6520 1 13 . 1 1 90 90 LYS H H 90 7.940 7.940 8.347 -0.407 25483 6521 1 13 . 1 1 91 91 LEU N N 91 123.149 123.149 122.009 1.140 25483 6522 1 13 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.466 0.003 25483 6523 1 13 . 1 1 91 91 LEU C C 91 175.848 175.848 177.597 -1.749 25483 6524 1 13 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.804 -1.204 25483 6525 1 13 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.304 0.707 25483 6526 1 13 . 1 1 91 91 LEU H H 91 8.501 8.501 8.435 0.066 25483 6527 1 14 . 1 1 3 3 GLY N N 3 110.312 110.312 109.347 0.965 25483 6528 1 14 . 1 1 3 3 GLY C C 3 174.169 174.169 174.502 -0.333 25483 6529 1 14 . 1 1 3 3 GLY CA C 3 45.475 45.475 45.147 0.328 25483 6530 1 14 . 1 1 3 3 GLY H H 3 8.679 8.679 8.219 0.460 25483 6531 1 14 . 1 1 4 4 SER N N 4 115.617 115.617 117.189 -1.572 25483 6532 1 14 . 1 1 4 4 SER HA H 4 4.499 4.499 4.564 -0.065 25483 6533 1 14 . 1 1 4 4 SER C C 4 174.408 174.408 175.412 -1.004 25483 6534 1 14 . 1 1 4 4 SER CA C 4 58.541 58.541 58.483 0.058 25483 6535 1 14 . 1 1 4 4 SER CB C 4 63.920 63.920 63.608 0.312 25483 6536 1 14 . 1 1 4 4 SER H H 4 8.237 8.237 8.450 -0.213 25483 6537 1 14 . 1 1 5 5 MET N N 5 121.390 121.390 121.079 0.311 25483 6538 1 14 . 1 1 5 5 MET HA H 5 4.702 4.702 4.468 0.234 25483 6539 1 14 . 1 1 5 5 MET C C 5 176.122 176.122 175.835 0.287 25483 6540 1 14 . 1 1 5 5 MET CA C 5 55.600 55.600 55.083 0.517 25483 6541 1 14 . 1 1 5 5 MET CB C 5 34.357 34.357 33.500 0.857 25483 6542 1 14 . 1 1 5 5 MET H H 5 8.309 8.309 7.498 0.811 25483 6543 1 14 . 1 1 6 6 VAL N N 6 117.990 117.990 115.393 2.597 25483 6544 1 14 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.313 -0.112 25483 6545 1 14 . 1 1 6 6 VAL C C 6 174.450 174.450 175.063 -0.613 25483 6546 1 14 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.099 0.320 25483 6547 1 14 . 1 1 6 6 VAL CB C 6 32.585 32.585 33.173 -0.588 25483 6548 1 14 . 1 1 6 6 VAL H H 6 8.175 8.175 7.882 0.293 25483 6549 1 14 . 1 1 7 7 ASP N N 7 121.785 121.785 121.297 0.488 25483 6550 1 14 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.892 -0.324 25483 6551 1 14 . 1 1 7 7 ASP C C 7 175.866 175.866 175.357 0.509 25483 6552 1 14 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.856 1.312 25483 6553 1 14 . 1 1 7 7 ASP CB C 7 41.599 41.599 42.535 -0.936 25483 6554 1 14 . 1 1 7 7 ASP H H 7 8.332 8.332 8.214 0.118 25483 6555 1 14 . 1 1 8 8 VAL N N 8 124.023 124.023 122.615 1.408 25483 6556 1 14 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.658 0.340 25483 6557 1 14 . 1 1 8 8 VAL C C 8 174.859 174.859 175.662 -0.803 25483 6558 1 14 . 1 1 8 8 VAL CA C 8 61.461 61.461 61.685 -0.224 25483 6559 1 14 . 1 1 8 8 VAL CB C 8 33.321 33.321 33.140 0.181 25483 6560 1 14 . 1 1 8 8 VAL H H 8 8.658 8.658 8.012 0.646 25483 6561 1 14 . 1 1 9 9 ILE N N 9 129.744 129.744 125.191 4.553 25483 6562 1 14 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.558 0.453 25483 6563 1 14 . 1 1 9 9 ILE C C 9 174.323 174.323 173.994 0.329 25483 6564 1 14 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.463 -0.766 25483 6565 1 14 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.881 -1.602 25483 6566 1 14 . 1 1 9 9 ILE H H 9 9.306 9.306 8.730 0.576 25483 6567 1 14 . 1 1 10 10 ILE N N 10 123.657 123.657 120.925 2.732 25483 6568 1 14 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.300 0.099 25483 6569 1 14 . 1 1 10 10 ILE C C 10 173.066 173.066 173.843 -0.777 25483 6570 1 14 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.957 -0.468 25483 6571 1 14 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.869 -1.072 25483 6572 1 14 . 1 1 10 10 ILE H H 10 8.734 8.734 8.844 -0.110 25483 6573 1 14 . 1 1 11 11 TYR N N 11 128.973 128.973 127.578 1.395 25483 6574 1 14 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.763 0.924 25483 6575 1 14 . 1 1 11 11 TYR C C 11 176.756 176.756 174.828 1.928 25483 6576 1 14 . 1 1 11 11 TYR CA C 11 57.408 57.408 57.935 -0.527 25483 6577 1 14 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.383 1.901 25483 6578 1 14 . 1 1 11 11 TYR H H 11 9.292 9.292 8.968 0.324 25483 6579 1 14 . 1 1 12 12 THR N N 12 112.725 112.725 116.127 -3.402 25483 6580 1 14 . 1 1 12 12 THR HA H 12 5.732 5.732 4.734 0.998 25483 6581 1 14 . 1 1 12 12 THR C C 12 172.866 172.866 173.415 -0.549 25483 6582 1 14 . 1 1 12 12 THR CA C 12 59.671 59.671 60.658 -0.987 25483 6583 1 14 . 1 1 12 12 THR CB C 12 72.735 72.735 72.296 0.439 25483 6584 1 14 . 1 1 12 12 THR H H 12 9.253 9.253 7.720 1.533 25483 6585 1 14 . 1 1 13 13 ARG N N 13 116.857 116.857 120.738 -3.881 25483 6586 1 14 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.525 0.260 25483 6587 1 14 . 1 1 13 13 ARG C C 13 173.407 173.407 175.261 -1.854 25483 6588 1 14 . 1 1 13 13 ARG CA C 13 53.254 53.254 53.756 -0.502 25483 6589 1 14 . 1 1 13 13 ARG CB C 13 31.597 31.597 29.709 1.888 25483 6590 1 14 . 1 1 13 13 ARG H H 13 8.695 8.695 8.536 0.159 25483 6591 1 14 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.268 -0.107 25483 6592 1 14 . 1 1 14 14 PRO C C 14 177.642 177.642 177.249 0.393 25483 6593 1 14 . 1 1 14 14 PRO CA C 14 57.978 57.978 62.833 -4.855 25483 6594 1 14 . 1 1 14 14 PRO CB C 14 30.197 30.197 30.084 0.113 25483 6595 1 14 . 1 1 15 15 GLY N N 15 108.958 108.958 112.531 -3.573 25483 6596 1 14 . 1 1 15 15 GLY C C 15 173.520 173.520 173.604 -0.084 25483 6597 1 14 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.029 1.004 25483 6598 1 14 . 1 1 15 15 GLY H H 15 8.534 8.534 8.611 -0.077 25483 6599 1 14 . 1 1 16 16 CYS N N 16 122.701 122.701 121.389 1.312 25483 6600 1 14 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.485 0.550 25483 6601 1 14 . 1 1 16 16 CYS C C 16 175.994 175.994 173.433 2.561 25483 6602 1 14 . 1 1 16 16 CYS CA C 16 55.218 55.218 58.916 -3.698 25483 6603 1 14 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.546 4.168 25483 6604 1 14 . 1 1 16 16 CYS H H 16 7.476 7.476 8.294 -0.818 25483 6605 1 14 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.501 -0.161 25483 6606 1 14 . 1 1 17 17 PRO C C 17 178.531 178.531 175.643 2.888 25483 6607 1 14 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.714 1.817 25483 6608 1 14 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.399 -0.259 25483 6609 1 14 . 1 1 18 18 TYR N N 18 121.799 121.799 119.359 2.440 25483 6610 1 14 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.816 -0.394 25483 6611 1 14 . 1 1 18 18 TYR C C 18 178.508 178.508 176.782 1.726 25483 6612 1 14 . 1 1 18 18 TYR CA C 18 61.076 61.076 56.143 4.933 25483 6613 1 14 . 1 1 18 18 TYR CB C 18 38.433 38.433 37.708 0.725 25483 6614 1 14 . 1 1 18 18 TYR H H 18 8.148 8.148 8.581 -0.433 25483 6615 1 14 . 1 1 19 19 CYS N N 19 122.966 122.966 119.382 3.584 25483 6616 1 14 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.742 -0.740 25483 6617 1 14 . 1 1 19 19 CYS C C 19 177.642 177.642 174.814 2.828 25483 6618 1 14 . 1 1 19 19 CYS CA C 19 64.471 64.471 55.564 8.907 25483 6619 1 14 . 1 1 19 19 CYS CB C 19 31.017 31.017 26.011 5.006 25483 6620 1 14 . 1 1 19 19 CYS H H 19 7.833 7.833 8.286 -0.453 25483 6621 1 14 . 1 1 20 20 ALA N N 20 121.738 121.738 125.516 -3.778 25483 6622 1 14 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.177 -0.027 25483 6623 1 14 . 1 1 20 20 ALA C C 20 180.531 180.531 179.127 1.404 25483 6624 1 14 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.524 1.060 25483 6625 1 14 . 1 1 20 20 ALA CB C 20 18.029 18.029 19.305 -1.276 25483 6626 1 14 . 1 1 20 20 ALA H H 20 7.080 7.080 7.617 -0.537 25483 6627 1 14 . 1 1 21 21 ARG N N 21 119.812 119.812 118.982 0.830 25483 6628 1 14 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.117 0.125 25483 6629 1 14 . 1 1 21 21 ARG CA C 21 57.925 57.925 58.436 -0.511 25483 6630 1 14 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.064 0.804 25483 6631 1 14 . 1 1 21 21 ARG H H 21 8.039 8.039 8.551 -0.512 25483 6632 1 14 . 1 1 22 22 ALA N N 22 124.459 124.459 122.280 2.179 25483 6633 1 14 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.907 0.233 25483 6634 1 14 . 1 1 22 22 ALA C C 22 178.267 178.267 179.537 -1.270 25483 6635 1 14 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.974 0.697 25483 6636 1 14 . 1 1 22 22 ALA CB C 22 19.225 19.225 17.904 1.321 25483 6637 1 14 . 1 1 22 22 ALA H H 22 7.768 7.768 8.439 -0.671 25483 6638 1 14 . 1 1 23 23 LYS N N 23 116.014 116.014 117.774 -1.760 25483 6639 1 14 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.627 -0.326 25483 6640 1 14 . 1 1 23 23 LYS C C 23 177.995 177.995 178.658 -0.663 25483 6641 1 14 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.531 3.191 25483 6642 1 14 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.356 0.294 25483 6643 1 14 . 1 1 23 23 LYS H H 23 7.984 7.984 7.480 0.504 25483 6644 1 14 . 1 1 24 24 ALA N N 24 120.042 120.042 122.175 -2.133 25483 6645 1 14 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.110 0.100 25483 6646 1 14 . 1 1 24 24 ALA C C 24 180.610 180.610 179.786 0.824 25483 6647 1 14 . 1 1 24 24 ALA CA C 24 54.865 54.865 55.000 -0.135 25483 6648 1 14 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.197 -0.261 25483 6649 1 14 . 1 1 24 24 ALA H H 24 8.040 8.040 7.876 0.164 25483 6650 1 14 . 1 1 25 25 LEU N N 25 119.514 119.514 118.828 0.686 25483 6651 1 14 . 1 1 25 25 LEU HA H 25 4.152 4.152 4.193 -0.041 25483 6652 1 14 . 1 1 25 25 LEU C C 25 177.834 177.834 178.293 -0.459 25483 6653 1 14 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.188 0.500 25483 6654 1 14 . 1 1 25 25 LEU CB C 25 40.735 40.735 42.275 -1.540 25483 6655 1 14 . 1 1 25 25 LEU H H 25 7.150 7.150 7.339 -0.189 25483 6656 1 14 . 1 1 26 26 LEU N N 26 117.253 117.253 119.901 -2.648 25483 6657 1 14 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.795 -0.042 25483 6658 1 14 . 1 1 26 26 LEU C C 26 178.553 178.553 178.911 -0.358 25483 6659 1 14 . 1 1 26 26 LEU CA C 26 58.475 58.475 58.418 0.057 25483 6660 1 14 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.498 -0.434 25483 6661 1 14 . 1 1 26 26 LEU H H 26 7.576 7.576 7.482 0.094 25483 6662 1 14 . 1 1 27 27 ALA N N 27 119.606 119.606 118.961 0.645 25483 6663 1 14 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.269 0.072 25483 6664 1 14 . 1 1 27 27 ALA C C 27 182.219 182.219 179.449 2.770 25483 6665 1 14 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.667 0.659 25483 6666 1 14 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.774 -0.666 25483 6667 1 14 . 1 1 27 27 ALA H H 27 8.629 8.629 8.405 0.224 25483 6668 1 14 . 1 1 28 28 ARG N N 28 121.081 121.081 118.263 2.818 25483 6669 1 14 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.160 0.005 25483 6670 1 14 . 1 1 28 28 ARG C C 28 178.659 178.659 177.965 0.694 25483 6671 1 14 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.152 1.029 25483 6672 1 14 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.206 -0.286 25483 6673 1 14 . 1 1 28 28 ARG H H 28 7.992 7.992 7.573 0.419 25483 6674 1 14 . 1 1 29 29 LYS N N 29 115.790 115.790 116.087 -0.297 25483 6675 1 14 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.396 -0.162 25483 6676 1 14 . 1 1 29 29 LYS C C 29 176.666 176.666 176.703 -0.037 25483 6677 1 14 . 1 1 29 29 LYS CA C 29 54.945 54.945 56.297 -1.353 25483 6678 1 14 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.857 -1.416 25483 6679 1 14 . 1 1 29 29 LYS H H 29 7.663 7.663 7.797 -0.134 25483 6680 1 14 . 1 1 30 30 GLY N N 30 107.767 107.767 107.484 0.283 25483 6681 1 14 . 1 1 30 30 GLY C C 30 174.014 174.014 174.652 -0.638 25483 6682 1 14 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.172 0.233 25483 6683 1 14 . 1 1 30 30 GLY H H 30 7.930 7.930 7.572 0.358 25483 6684 1 14 . 1 1 31 31 ALA N N 31 122.192 122.192 122.413 -0.221 25483 6685 1 14 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.295 0.208 25483 6686 1 14 . 1 1 31 31 ALA C C 31 176.691 176.691 176.243 0.448 25483 6687 1 14 . 1 1 31 31 ALA CA C 31 51.631 51.631 51.811 -0.180 25483 6688 1 14 . 1 1 31 31 ALA CB C 31 19.938 19.938 19.752 0.186 25483 6689 1 14 . 1 1 31 31 ALA H H 31 7.844 7.844 7.457 0.387 25483 6690 1 14 . 1 1 32 32 GLU N N 32 123.903 123.903 122.115 1.788 25483 6691 1 14 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.364 -0.129 25483 6692 1 14 . 1 1 32 32 GLU C C 32 176.080 176.080 175.299 0.781 25483 6693 1 14 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.131 0.604 25483 6694 1 14 . 1 1 32 32 GLU CB C 32 29.777 29.777 30.543 -0.765 25483 6695 1 14 . 1 1 32 32 GLU H H 32 8.337 8.337 8.533 -0.196 25483 6696 1 14 . 1 1 33 33 PHE N N 33 116.634 116.634 122.263 -5.629 25483 6697 1 14 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.252 -0.020 25483 6698 1 14 . 1 1 33 33 PHE C C 33 173.397 173.397 173.996 -0.599 25483 6699 1 14 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.759 -0.538 25483 6700 1 14 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.193 0.315 25483 6701 1 14 . 1 1 33 33 PHE H H 33 7.640 7.640 7.353 0.287 25483 6702 1 14 . 1 1 34 34 ASN N N 34 120.133 120.133 118.635 1.498 25483 6703 1 14 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.878 0.093 25483 6704 1 14 . 1 1 34 34 ASN C C 34 173.199 173.199 174.121 -0.922 25483 6705 1 14 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.596 -0.416 25483 6706 1 14 . 1 1 34 34 ASN CB C 34 39.840 39.840 40.899 -1.059 25483 6707 1 14 . 1 1 34 34 ASN H H 34 8.921 8.921 8.489 0.432 25483 6708 1 14 . 1 1 35 35 GLU N N 35 126.204 126.204 124.153 2.051 25483 6709 1 14 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.766 0.412 25483 6710 1 14 . 1 1 35 35 GLU C C 35 175.185 175.185 175.916 -0.731 25483 6711 1 14 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.443 -1.892 25483 6712 1 14 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.224 0.213 25483 6713 1 14 . 1 1 35 35 GLU H H 35 8.758 8.758 8.692 0.066 25483 6714 1 14 . 1 1 36 36 ILE N N 36 130.012 130.012 121.169 8.843 25483 6715 1 14 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.178 -0.017 25483 6716 1 14 . 1 1 36 36 ILE C C 36 174.987 174.987 174.498 0.489 25483 6717 1 14 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.632 0.551 25483 6718 1 14 . 1 1 36 36 ILE CB C 36 40.273 40.273 39.709 0.564 25483 6719 1 14 . 1 1 36 36 ILE H H 36 9.080 9.080 8.020 1.060 25483 6720 1 14 . 1 1 37 37 ASP N N 37 125.921 125.921 126.336 -0.415 25483 6721 1 14 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.513 0.489 25483 6722 1 14 . 1 1 37 37 ASP C C 37 176.847 176.847 175.273 1.574 25483 6723 1 14 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.748 -1.870 25483 6724 1 14 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.073 -0.783 25483 6725 1 14 . 1 1 37 37 ASP H H 37 8.515 8.515 8.478 0.037 25483 6726 1 14 . 1 1 38 38 ALA N N 38 130.525 130.525 126.857 3.668 25483 6727 1 14 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.463 0.195 25483 6728 1 14 . 1 1 38 38 ALA C C 38 175.507 175.507 177.481 -1.974 25483 6729 1 14 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.635 0.285 25483 6730 1 14 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.595 0.017 25483 6731 1 14 . 1 1 38 38 ALA H H 38 8.845 8.845 7.694 1.151 25483 6732 1 14 . 1 1 39 39 SER N N 39 111.653 111.653 112.469 -0.816 25483 6733 1 14 . 1 1 39 39 SER HA H 39 4.425 4.425 4.201 0.224 25483 6734 1 14 . 1 1 39 39 SER C C 39 176.988 176.988 174.504 2.484 25483 6735 1 14 . 1 1 39 39 SER CA C 39 59.504 59.504 59.600 -0.096 25483 6736 1 14 . 1 1 39 39 SER CB C 39 64.768 64.768 62.447 2.321 25483 6737 1 14 . 1 1 39 39 SER H H 39 8.727 8.727 8.850 -0.123 25483 6738 1 14 . 1 1 40 40 ALA N N 40 124.164 124.164 121.370 2.794 25483 6739 1 14 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.485 -0.256 25483 6740 1 14 . 1 1 40 40 ALA C C 40 178.039 178.039 177.052 0.987 25483 6741 1 14 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.900 1.947 25483 6742 1 14 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.048 0.330 25483 6743 1 14 . 1 1 40 40 ALA H H 40 7.543 7.543 8.410 -0.867 25483 6744 1 14 . 1 1 41 41 THR N N 41 106.060 106.060 113.289 -7.229 25483 6745 1 14 . 1 1 41 41 THR HA H 41 5.006 5.006 4.819 0.187 25483 6746 1 14 . 1 1 41 41 THR C C 41 173.200 173.200 172.889 0.311 25483 6747 1 14 . 1 1 41 41 THR CA C 41 57.856 57.856 58.995 -1.139 25483 6748 1 14 . 1 1 41 41 THR CB C 41 70.541 70.541 70.422 0.119 25483 6749 1 14 . 1 1 41 41 THR H H 41 7.162 7.162 7.584 -0.422 25483 6750 1 14 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.514 -0.189 25483 6751 1 14 . 1 1 42 42 PRO C C 42 179.534 179.534 178.292 1.242 25483 6752 1 14 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.516 0.291 25483 6753 1 14 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.078 -0.337 25483 6754 1 14 . 1 1 43 43 GLU N N 43 118.723 118.723 119.259 -0.536 25483 6755 1 14 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.150 -0.042 25483 6756 1 14 . 1 1 43 43 GLU C C 43 179.692 179.692 178.761 0.931 25483 6757 1 14 . 1 1 43 43 GLU CA C 43 60.721 60.721 58.905 1.816 25483 6758 1 14 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.571 -1.020 25483 6759 1 14 . 1 1 43 43 GLU H H 43 9.124 9.124 8.166 0.958 25483 6760 1 14 . 1 1 44 44 LEU N N 44 121.970 121.970 119.647 2.323 25483 6761 1 14 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.460 -0.120 25483 6762 1 14 . 1 1 44 44 LEU C C 44 178.924 178.924 178.500 0.424 25483 6763 1 14 . 1 1 44 44 LEU CA C 44 57.472 57.472 56.991 0.481 25483 6764 1 14 . 1 1 44 44 LEU CB C 44 42.432 42.432 42.326 0.106 25483 6765 1 14 . 1 1 44 44 LEU H H 44 7.838 7.838 7.472 0.366 25483 6766 1 14 . 1 1 45 45 ARG N N 45 122.130 122.130 119.819 2.311 25483 6767 1 14 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.907 0.186 25483 6768 1 14 . 1 1 45 45 ARG C C 45 178.955 178.955 178.263 0.692 25483 6769 1 14 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.586 0.538 25483 6770 1 14 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.118 0.029 25483 6771 1 14 . 1 1 45 45 ARG H H 45 7.762 7.762 8.300 -0.538 25483 6772 1 14 . 1 1 46 46 ALA N N 46 121.165 121.165 120.380 0.785 25483 6773 1 14 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.148 -0.012 25483 6774 1 14 . 1 1 46 46 ALA C C 46 179.912 179.912 179.606 0.306 25483 6775 1 14 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.906 0.039 25483 6776 1 14 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.091 -0.379 25483 6777 1 14 . 1 1 46 46 ALA H H 46 8.160 8.160 7.776 0.384 25483 6778 1 14 . 1 1 47 47 GLU N N 47 120.906 120.906 119.277 1.629 25483 6779 1 14 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.177 -0.124 25483 6780 1 14 . 1 1 47 47 GLU C C 47 178.039 178.039 178.608 -0.569 25483 6781 1 14 . 1 1 47 47 GLU CA C 47 59.500 59.500 58.546 0.954 25483 6782 1 14 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.480 0.331 25483 6783 1 14 . 1 1 47 47 GLU H H 47 7.918 7.918 7.757 0.161 25483 6784 1 14 . 1 1 48 48 MET N N 48 118.645 118.645 118.859 -0.214 25483 6785 1 14 . 1 1 48 48 MET HA H 48 2.897 2.897 4.175 -1.278 25483 6786 1 14 . 1 1 48 48 MET C C 48 180.282 180.282 177.926 2.356 25483 6787 1 14 . 1 1 48 48 MET CA C 48 59.540 59.540 58.001 1.539 25483 6788 1 14 . 1 1 48 48 MET CB C 48 33.502 33.502 32.740 0.762 25483 6789 1 14 . 1 1 48 48 MET H H 48 8.047 8.047 8.136 -0.089 25483 6790 1 14 . 1 1 49 49 GLN N N 49 122.104 122.104 119.842 2.262 25483 6791 1 14 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.074 0.265 25483 6792 1 14 . 1 1 49 49 GLN C C 49 178.780 178.780 177.527 1.253 25483 6793 1 14 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.409 0.335 25483 6794 1 14 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.015 0.224 25483 6795 1 14 . 1 1 49 49 GLN H H 49 8.237 8.237 8.038 0.199 25483 6796 1 14 . 1 1 50 50 GLU N N 50 121.947 121.947 119.000 2.947 25483 6797 1 14 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.120 -0.151 25483 6798 1 14 . 1 1 50 50 GLU C C 50 178.863 178.863 177.660 1.203 25483 6799 1 14 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.307 0.824 25483 6800 1 14 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.641 0.078 25483 6801 1 14 . 1 1 50 50 GLU H H 50 8.659 8.659 7.692 0.967 25483 6802 1 14 . 1 1 51 51 ARG N N 51 115.832 115.832 117.175 -1.343 25483 6803 1 14 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.391 -0.331 25483 6804 1 14 . 1 1 51 51 ARG C C 51 177.748 177.748 177.166 0.582 25483 6805 1 14 . 1 1 51 51 ARG CA C 51 58.480 58.480 55.637 2.843 25483 6806 1 14 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.269 0.889 25483 6807 1 14 . 1 1 51 51 ARG H H 51 8.231 8.231 7.447 0.784 25483 6808 1 14 . 1 1 52 52 SER N N 52 109.790 109.790 114.714 -4.924 25483 6809 1 14 . 1 1 52 52 SER HA H 52 3.759 3.759 4.128 -0.369 25483 6810 1 14 . 1 1 52 52 SER C C 52 174.149 174.149 174.924 -0.775 25483 6811 1 14 . 1 1 52 52 SER CA C 52 58.883 58.883 60.424 -1.541 25483 6812 1 14 . 1 1 52 52 SER CB C 52 66.744 66.744 63.232 3.512 25483 6813 1 14 . 1 1 52 52 SER H H 52 8.032 8.032 7.990 0.042 25483 6814 1 14 . 1 1 53 53 GLY N N 53 112.524 112.524 112.904 -0.380 25483 6815 1 14 . 1 1 53 53 GLY C C 53 173.690 173.690 174.838 -1.148 25483 6816 1 14 . 1 1 53 53 GLY CA C 53 46.093 46.093 45.706 0.387 25483 6817 1 14 . 1 1 53 53 GLY H H 53 8.239 8.239 8.442 -0.203 25483 6818 1 14 . 1 1 54 54 ARG N N 54 119.453 119.453 119.796 -0.343 25483 6819 1 14 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.463 0.190 25483 6820 1 14 . 1 1 54 54 ARG C C 54 174.144 174.144 175.478 -1.334 25483 6821 1 14 . 1 1 54 54 ARG CA C 54 54.660 54.660 55.308 -0.648 25483 6822 1 14 . 1 1 54 54 ARG CB C 54 35.255 35.255 31.354 3.901 25483 6823 1 14 . 1 1 54 54 ARG H H 54 8.309 8.309 8.187 0.122 25483 6824 1 14 . 1 1 55 55 ASN N N 55 112.521 112.521 114.464 -1.943 25483 6825 1 14 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.468 0.226 25483 6826 1 14 . 1 1 55 55 ASN C C 55 175.197 175.197 174.657 0.540 25483 6827 1 14 . 1 1 55 55 ASN CA C 55 51.681 51.681 53.732 -2.051 25483 6828 1 14 . 1 1 55 55 ASN CB C 55 39.468 39.468 37.719 1.749 25483 6829 1 14 . 1 1 55 55 ASN H H 55 8.154 8.154 8.493 -0.339 25483 6830 1 14 . 1 1 56 56 THR N N 56 107.919 107.919 110.485 -2.566 25483 6831 1 14 . 1 1 56 56 THR HA H 56 4.356 4.356 4.286 0.070 25483 6832 1 14 . 1 1 56 56 THR C C 56 172.477 172.477 173.601 -1.124 25483 6833 1 14 . 1 1 56 56 THR CA C 56 59.438 59.438 62.891 -3.453 25483 6834 1 14 . 1 1 56 56 THR CB C 56 70.636 70.636 69.600 1.036 25483 6835 1 14 . 1 1 56 56 THR H H 56 6.778 6.778 7.571 -0.793 25483 6836 1 14 . 1 1 57 57 PHE N N 57 117.789 117.789 118.740 -0.951 25483 6837 1 14 . 1 1 57 57 PHE HA H 57 4.725 4.725 4.965 -0.240 25483 6838 1 14 . 1 1 57 57 PHE C C 57 174.241 174.241 173.434 0.807 25483 6839 1 14 . 1 1 57 57 PHE CA C 57 55.088 55.088 53.050 2.038 25483 6840 1 14 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.282 5.224 25483 6841 1 14 . 1 1 57 57 PHE H H 57 8.469 8.469 6.758 1.711 25483 6842 1 14 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.541 1.072 25483 6843 1 14 . 1 1 58 58 PRO C C 58 177.062 177.062 175.941 1.121 25483 6844 1 14 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.709 0.473 25483 6845 1 14 . 1 1 58 58 PRO CB C 58 36.461 36.461 32.985 3.476 25483 6846 1 14 . 1 1 59 59 GLN N N 59 112.113 112.113 117.555 -5.442 25483 6847 1 14 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.929 -0.109 25483 6848 1 14 . 1 1 59 59 GLN C C 59 175.655 175.655 175.924 -0.269 25483 6849 1 14 . 1 1 59 59 GLN CA C 59 55.168 55.168 53.894 1.274 25483 6850 1 14 . 1 1 59 59 GLN CB C 59 31.479 31.479 29.342 2.137 25483 6851 1 14 . 1 1 59 59 GLN H H 59 8.041 8.041 8.201 -0.160 25483 6852 1 14 . 1 1 60 60 ILE N N 60 123.134 123.134 124.019 -0.885 25483 6853 1 14 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.358 0.600 25483 6854 1 14 . 1 1 60 60 ILE C C 60 174.350 174.350 174.565 -0.215 25483 6855 1 14 . 1 1 60 60 ILE CA C 60 61.174 61.174 60.133 1.041 25483 6856 1 14 . 1 1 60 60 ILE CB C 60 40.828 40.828 38.538 2.290 25483 6857 1 14 . 1 1 60 60 ILE H H 60 8.940 8.940 7.838 1.102 25483 6858 1 14 . 1 1 61 61 PHE N N 61 128.163 128.163 123.975 4.188 25483 6859 1 14 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.800 0.593 25483 6860 1 14 . 1 1 61 61 PHE C C 61 174.659 174.659 174.420 0.239 25483 6861 1 14 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.916 -0.270 25483 6862 1 14 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.637 -1.902 25483 6863 1 14 . 1 1 61 61 PHE H H 61 9.645 9.645 8.930 0.715 25483 6864 1 14 . 1 1 62 62 ILE N N 62 122.592 122.592 118.016 4.576 25483 6865 1 14 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.804 -0.174 25483 6866 1 14 . 1 1 62 62 ILE C C 62 175.360 175.360 175.793 -0.433 25483 6867 1 14 . 1 1 62 62 ILE CA C 62 61.008 61.008 60.047 0.961 25483 6868 1 14 . 1 1 62 62 ILE CB C 62 39.569 39.569 40.503 -0.934 25483 6869 1 14 . 1 1 62 62 ILE H H 62 9.066 9.066 8.228 0.838 25483 6870 1 14 . 1 1 63 63 GLY N N 63 116.263 116.263 117.696 -1.433 25483 6871 1 14 . 1 1 63 63 GLY C C 63 175.630 175.630 174.706 0.924 25483 6872 1 14 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.849 0.404 25483 6873 1 14 . 1 1 63 63 GLY H H 63 9.307 9.307 8.445 0.862 25483 6874 1 14 . 1 1 64 64 SER N N 64 122.053 122.053 118.630 3.423 25483 6875 1 14 . 1 1 64 64 SER HA H 64 4.566 4.566 4.809 -0.243 25483 6876 1 14 . 1 1 64 64 SER C C 64 173.891 173.891 173.950 -0.059 25483 6877 1 14 . 1 1 64 64 SER CA C 64 59.071 59.071 57.977 1.094 25483 6878 1 14 . 1 1 64 64 SER CB C 64 63.895 63.895 63.546 0.349 25483 6879 1 14 . 1 1 64 64 SER H H 64 9.236 9.236 8.523 0.713 25483 6880 1 14 . 1 1 65 65 VAL N N 65 124.553 124.553 122.298 2.255 25483 6881 1 14 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.409 -0.332 25483 6882 1 14 . 1 1 65 65 VAL C C 65 175.294 175.294 174.321 0.973 25483 6883 1 14 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.014 1.721 25483 6884 1 14 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.554 -1.476 25483 6885 1 14 . 1 1 65 65 VAL H H 65 8.494 8.494 8.035 0.459 25483 6886 1 14 . 1 1 66 66 HIS N N 66 102.561 102.561 124.249 -21.688 25483 6887 1 14 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.386 -0.024 25483 6888 1 14 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.519 -0.906 25483 6889 1 14 . 1 1 66 66 HIS CB C 66 30.941 30.941 31.423 -0.482 25483 6890 1 14 . 1 1 66 66 HIS H H 66 8.966 8.966 8.583 0.383 25483 6891 1 14 . 1 1 67 67 VAL N N 67 130.151 130.151 123.985 6.166 25483 6892 1 14 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.298 -0.868 25483 6893 1 14 . 1 1 67 67 VAL C C 67 174.677 174.677 175.450 -0.773 25483 6894 1 14 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.885 3.144 25483 6895 1 14 . 1 1 67 67 VAL CB C 67 32.426 32.426 35.459 -3.033 25483 6896 1 14 . 1 1 67 67 VAL H H 67 8.214 8.214 7.243 0.971 25483 6897 1 14 . 1 1 68 68 GLY N N 68 102.768 102.768 113.685 -10.917 25483 6898 1 14 . 1 1 68 68 GLY C C 68 173.023 173.023 173.933 -0.910 25483 6899 1 14 . 1 1 68 68 GLY CA C 68 43.780 43.780 46.994 -3.214 25483 6900 1 14 . 1 1 68 68 GLY H H 68 6.436 6.436 8.883 -2.447 25483 6901 1 14 . 1 1 69 69 GLY N N 69 110.061 110.061 105.155 4.906 25483 6902 1 14 . 1 1 69 69 GLY C C 69 175.375 175.375 174.119 1.256 25483 6903 1 14 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.447 -0.524 25483 6904 1 14 . 1 1 69 69 GLY H H 69 9.004 9.004 7.086 1.918 25483 6905 1 14 . 1 1 70 70 SER N N 70 113.592 113.592 117.668 -4.076 25483 6906 1 14 . 1 1 70 70 SER HA H 70 3.894 3.894 3.803 0.091 25483 6907 1 14 . 1 1 70 70 SER CA C 70 62.816 62.816 62.776 0.040 25483 6908 1 14 . 1 1 70 70 SER H H 70 8.088 8.088 8.477 -0.389 25483 6909 1 14 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.305 0.099 25483 6910 1 14 . 1 1 71 71 ASP C C 71 179.115 179.115 177.855 1.260 25483 6911 1 14 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.184 0.426 25483 6912 1 14 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.314 -0.989 25483 6913 1 14 . 1 1 72 72 ASP N N 72 119.325 119.325 120.426 -1.101 25483 6914 1 14 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.467 -0.121 25483 6915 1 14 . 1 1 72 72 ASP C C 72 177.816 177.816 178.514 -0.698 25483 6916 1 14 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.972 0.241 25483 6917 1 14 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.861 0.548 25483 6918 1 14 . 1 1 72 72 ASP H H 72 7.232 7.232 7.440 -0.208 25483 6919 1 14 . 1 1 73 73 LEU N N 73 121.336 121.336 121.706 -0.370 25483 6920 1 14 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.821 -0.048 25483 6921 1 14 . 1 1 73 73 LEU C C 73 177.957 177.957 178.125 -0.168 25483 6922 1 14 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.044 0.310 25483 6923 1 14 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.925 0.251 25483 6924 1 14 . 1 1 73 73 LEU H H 73 7.789 7.789 8.377 -0.588 25483 6925 1 14 . 1 1 74 74 TYR N N 74 116.570 116.570 117.786 -1.216 25483 6926 1 14 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.124 -0.375 25483 6927 1 14 . 1 1 74 74 TYR C C 74 178.275 178.275 177.454 0.821 25483 6928 1 14 . 1 1 74 74 TYR CA C 74 62.698 62.698 60.627 2.071 25483 6929 1 14 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.974 -0.463 25483 6930 1 14 . 1 1 74 74 TYR H H 74 8.318 8.318 8.240 0.078 25483 6931 1 14 . 1 1 75 75 ALA N N 75 122.593 122.593 122.438 0.155 25483 6932 1 14 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.959 0.296 25483 6933 1 14 . 1 1 75 75 ALA C C 75 180.162 180.162 179.308 0.854 25483 6934 1 14 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.204 0.399 25483 6935 1 14 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.179 -0.550 25483 6936 1 14 . 1 1 75 75 ALA H H 75 8.082 8.082 7.546 0.536 25483 6937 1 14 . 1 1 76 76 LEU N N 76 116.647 116.647 118.188 -1.541 25483 6938 1 14 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.920 0.135 25483 6939 1 14 . 1 1 76 76 LEU C C 76 179.538 179.538 179.198 0.340 25483 6940 1 14 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.646 0.210 25483 6941 1 14 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.402 1.275 25483 6942 1 14 . 1 1 76 76 LEU H H 76 7.389 7.389 7.953 -0.564 25483 6943 1 14 . 1 1 77 77 GLU N N 77 121.342 121.342 118.906 2.436 25483 6944 1 14 . 1 1 77 77 GLU HA H 77 4.597 4.597 4.007 0.590 25483 6945 1 14 . 1 1 77 77 GLU C C 77 179.674 179.674 178.518 1.156 25483 6946 1 14 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.280 -1.249 25483 6947 1 14 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.197 -1.079 25483 6948 1 14 . 1 1 77 77 GLU H H 77 7.461 7.461 7.880 -0.419 25483 6949 1 14 . 1 1 78 78 ASP N N 78 123.339 123.339 119.018 4.321 25483 6950 1 14 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.521 -0.070 25483 6951 1 14 . 1 1 78 78 ASP C C 78 178.412 178.412 178.162 0.250 25483 6952 1 14 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.339 1.131 25483 6953 1 14 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.963 -0.419 25483 6954 1 14 . 1 1 78 78 ASP H H 78 8.650 8.650 7.578 1.072 25483 6955 1 14 . 1 1 79 79 GLU N N 79 115.360 115.360 117.462 -2.102 25483 6956 1 14 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.154 0.178 25483 6957 1 14 . 1 1 79 79 GLU C C 79 176.861 176.861 178.122 -1.261 25483 6958 1 14 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.025 -0.710 25483 6959 1 14 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.180 0.521 25483 6960 1 14 . 1 1 79 79 GLU H H 79 7.791 7.791 7.876 -0.085 25483 6961 1 14 . 1 1 80 80 GLY N N 80 108.851 108.851 107.261 1.590 25483 6962 1 14 . 1 1 80 80 GLY C C 80 176.085 176.085 174.362 1.723 25483 6963 1 14 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.010 1.232 25483 6964 1 14 . 1 1 80 80 GLY H H 80 8.078 8.078 8.401 -0.323 25483 6965 1 14 . 1 1 81 81 LYS N N 81 116.858 116.858 119.555 -2.697 25483 6966 1 14 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.650 -0.205 25483 6967 1 14 . 1 1 81 81 LYS C C 81 176.789 176.789 176.856 -0.067 25483 6968 1 14 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.064 1.504 25483 6969 1 14 . 1 1 81 81 LYS CB C 81 36.004 36.004 32.861 3.143 25483 6970 1 14 . 1 1 81 81 LYS H H 81 8.216 8.216 8.205 0.011 25483 6971 1 14 . 1 1 82 82 LEU N N 82 122.543 122.543 118.546 3.997 25483 6972 1 14 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.142 -0.101 25483 6973 1 14 . 1 1 82 82 LEU C C 82 177.466 177.466 177.556 -0.090 25483 6974 1 14 . 1 1 82 82 LEU CA C 82 57.497 57.497 58.320 -0.823 25483 6975 1 14 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.162 -0.673 25483 6976 1 14 . 1 1 82 82 LEU H H 82 7.516 7.516 7.954 -0.438 25483 6977 1 14 . 1 1 83 83 ASP N N 83 119.643 119.643 118.912 0.731 25483 6978 1 14 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.222 0.084 25483 6979 1 14 . 1 1 83 83 ASP C C 83 178.744 178.744 178.290 0.454 25483 6980 1 14 . 1 1 83 83 ASP CA C 83 58.738 58.738 58.020 0.718 25483 6981 1 14 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.361 -0.407 25483 6982 1 14 . 1 1 83 83 ASP H H 83 8.662 8.662 8.506 0.156 25483 6983 1 14 . 1 1 84 84 SER N N 84 113.208 113.208 114.500 -1.292 25483 6984 1 14 . 1 1 84 84 SER HA H 84 4.266 4.266 4.214 0.052 25483 6985 1 14 . 1 1 84 84 SER C C 84 177.581 177.581 176.540 1.041 25483 6986 1 14 . 1 1 84 84 SER CA C 84 61.483 61.483 60.835 0.648 25483 6987 1 14 . 1 1 84 84 SER CB C 84 62.667 62.667 63.102 -0.435 25483 6988 1 14 . 1 1 84 84 SER H H 84 8.425 8.425 8.153 0.272 25483 6989 1 14 . 1 1 85 85 LEU N N 85 126.393 126.393 123.289 3.104 25483 6990 1 14 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.232 0.123 25483 6991 1 14 . 1 1 85 85 LEU C C 85 178.692 178.692 178.768 -0.076 25483 6992 1 14 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.073 0.336 25483 6993 1 14 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.191 -0.676 25483 6994 1 14 . 1 1 85 85 LEU H H 85 7.577 7.577 7.304 0.273 25483 6995 1 14 . 1 1 86 86 LEU N N 86 117.833 117.833 114.355 3.478 25483 6996 1 14 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.208 -0.325 25483 6997 1 14 . 1 1 86 86 LEU C C 86 177.470 177.470 178.614 -1.144 25483 6998 1 14 . 1 1 86 86 LEU CA C 86 57.781 57.781 57.351 0.430 25483 6999 1 14 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.143 0.659 25483 7000 1 14 . 1 1 86 86 LEU H H 86 8.406 8.406 8.258 0.148 25483 7001 1 14 . 1 1 87 87 LYS N N 87 113.997 113.997 118.084 -4.087 25483 7002 1 14 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.128 0.261 25483 7003 1 14 . 1 1 87 87 LYS C C 87 178.282 178.282 177.919 0.363 25483 7004 1 14 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.931 -0.597 25483 7005 1 14 . 1 1 87 87 LYS CB C 87 33.913 33.913 32.980 0.933 25483 7006 1 14 . 1 1 87 87 LYS H H 87 7.548 7.548 8.035 -0.487 25483 7007 1 14 . 1 1 88 88 THR N N 88 106.050 106.050 108.552 -2.502 25483 7008 1 14 . 1 1 88 88 THR HA H 88 4.545 4.545 4.463 0.082 25483 7009 1 14 . 1 1 88 88 THR C C 88 176.566 176.566 172.807 3.759 25483 7010 1 14 . 1 1 88 88 THR CA C 88 62.396 62.396 61.998 0.398 25483 7011 1 14 . 1 1 88 88 THR CB C 88 72.438 72.438 70.749 1.689 25483 7012 1 14 . 1 1 88 88 THR H H 88 8.178 8.178 8.260 -0.082 25483 7013 1 14 . 1 1 89 89 GLY N N 89 112.811 112.811 110.349 2.462 25483 7014 1 14 . 1 1 89 89 GLY C C 89 171.985 171.985 172.447 -0.462 25483 7015 1 14 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.065 1.751 25483 7016 1 14 . 1 1 89 89 GLY H H 89 9.153 9.153 8.074 1.079 25483 7017 1 14 . 1 1 90 90 LYS N N 90 117.650 117.650 123.921 -6.271 25483 7018 1 14 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.721 -0.211 25483 7019 1 14 . 1 1 90 90 LYS C C 90 174.330 174.330 175.693 -1.363 25483 7020 1 14 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.273 0.336 25483 7021 1 14 . 1 1 90 90 LYS CB C 90 35.701 35.701 34.167 1.534 25483 7022 1 14 . 1 1 90 90 LYS H H 90 7.940 7.940 8.252 -0.312 25483 7023 1 14 . 1 1 91 91 LEU N N 91 123.149 123.149 123.773 -0.624 25483 7024 1 14 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.360 0.109 25483 7025 1 14 . 1 1 91 91 LEU C C 91 175.848 175.848 176.661 -0.813 25483 7026 1 14 . 1 1 91 91 LEU CA C 91 54.600 54.600 56.206 -1.606 25483 7027 1 14 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.272 0.739 25483 7028 1 14 . 1 1 91 91 LEU H H 91 8.501 8.501 8.327 0.174 25483 7029 1 15 . 1 1 3 3 GLY N N 3 110.312 110.312 108.000 2.312 25483 7030 1 15 . 1 1 3 3 GLY C C 3 174.169 174.169 173.765 0.404 25483 7031 1 15 . 1 1 3 3 GLY CA C 3 45.475 45.475 45.077 0.398 25483 7032 1 15 . 1 1 3 3 GLY H H 3 8.679 8.679 8.391 0.288 25483 7033 1 15 . 1 1 4 4 SER N N 4 115.617 115.617 113.623 1.994 25483 7034 1 15 . 1 1 4 4 SER HA H 4 4.499 4.499 4.548 -0.049 25483 7035 1 15 . 1 1 4 4 SER C C 4 174.408 174.408 173.023 1.385 25483 7036 1 15 . 1 1 4 4 SER CA C 4 58.541 58.541 57.994 0.547 25483 7037 1 15 . 1 1 4 4 SER CB C 4 63.920 63.920 64.898 -0.979 25483 7038 1 15 . 1 1 4 4 SER H H 4 8.237 8.237 8.098 0.139 25483 7039 1 15 . 1 1 5 5 MET N N 5 121.390 121.390 119.883 1.507 25483 7040 1 15 . 1 1 5 5 MET HA H 5 4.702 4.702 4.798 -0.096 25483 7041 1 15 . 1 1 5 5 MET C C 5 176.122 176.122 176.022 0.100 25483 7042 1 15 . 1 1 5 5 MET CA C 5 55.600 55.600 54.881 0.719 25483 7043 1 15 . 1 1 5 5 MET CB C 5 34.357 34.357 35.500 -1.143 25483 7044 1 15 . 1 1 5 5 MET H H 5 8.309 8.309 8.232 0.077 25483 7045 1 15 . 1 1 6 6 VAL N N 6 117.990 117.990 117.959 0.031 25483 7046 1 15 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.367 -0.166 25483 7047 1 15 . 1 1 6 6 VAL C C 6 174.450 174.450 175.149 -0.699 25483 7048 1 15 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.025 0.393 25483 7049 1 15 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.750 -0.165 25483 7050 1 15 . 1 1 6 6 VAL H H 6 8.175 8.175 8.489 -0.314 25483 7051 1 15 . 1 1 7 7 ASP N N 7 121.785 121.785 121.231 0.554 25483 7052 1 15 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.902 -0.334 25483 7053 1 15 . 1 1 7 7 ASP C C 7 175.866 175.866 174.957 0.909 25483 7054 1 15 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.540 1.628 25483 7055 1 15 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.080 -1.480 25483 7056 1 15 . 1 1 7 7 ASP H H 7 8.332 8.332 8.333 -0.001 25483 7057 1 15 . 1 1 8 8 VAL N N 8 124.023 124.023 122.894 1.129 25483 7058 1 15 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.907 0.091 25483 7059 1 15 . 1 1 8 8 VAL C C 8 174.859 174.859 175.847 -0.988 25483 7060 1 15 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.104 -0.643 25483 7061 1 15 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.354 0.967 25483 7062 1 15 . 1 1 8 8 VAL H H 8 8.658 8.658 8.712 -0.054 25483 7063 1 15 . 1 1 9 9 ILE N N 9 129.744 129.744 127.431 2.313 25483 7064 1 15 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.774 0.237 25483 7065 1 15 . 1 1 9 9 ILE C C 9 174.323 174.323 174.011 0.312 25483 7066 1 15 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.510 -0.813 25483 7067 1 15 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.695 -1.416 25483 7068 1 15 . 1 1 9 9 ILE H H 9 9.306 9.306 9.106 0.200 25483 7069 1 15 . 1 1 10 10 ILE N N 10 123.657 123.657 122.040 1.617 25483 7070 1 15 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.095 0.304 25483 7071 1 15 . 1 1 10 10 ILE C C 10 173.066 173.066 173.666 -0.600 25483 7072 1 15 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.548 -0.059 25483 7073 1 15 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.445 -0.648 25483 7074 1 15 . 1 1 10 10 ILE H H 10 8.734 8.734 8.874 -0.140 25483 7075 1 15 . 1 1 11 11 TYR N N 11 128.973 128.973 127.983 0.990 25483 7076 1 15 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.591 1.096 25483 7077 1 15 . 1 1 11 11 TYR C C 11 176.756 176.756 174.434 2.322 25483 7078 1 15 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.028 -0.620 25483 7079 1 15 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.493 1.791 25483 7080 1 15 . 1 1 11 11 TYR H H 11 9.292 9.292 8.658 0.634 25483 7081 1 15 . 1 1 12 12 THR N N 12 112.725 112.725 117.720 -4.995 25483 7082 1 15 . 1 1 12 12 THR HA H 12 5.732 5.732 4.367 1.365 25483 7083 1 15 . 1 1 12 12 THR C C 12 172.866 172.866 172.856 0.010 25483 7084 1 15 . 1 1 12 12 THR CA C 12 59.671 59.671 61.255 -1.584 25483 7085 1 15 . 1 1 12 12 THR CB C 12 72.735 72.735 70.748 1.987 25483 7086 1 15 . 1 1 12 12 THR H H 12 9.253 9.253 7.835 1.418 25483 7087 1 15 . 1 1 13 13 ARG N N 13 116.857 116.857 123.029 -6.172 25483 7088 1 15 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.220 0.565 25483 7089 1 15 . 1 1 13 13 ARG C C 13 173.407 173.407 175.790 -2.383 25483 7090 1 15 . 1 1 13 13 ARG CA C 13 53.254 53.254 56.504 -3.250 25483 7091 1 15 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.184 1.413 25483 7092 1 15 . 1 1 13 13 ARG H H 13 8.695 8.695 8.396 0.299 25483 7093 1 15 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.476 -0.315 25483 7094 1 15 . 1 1 14 14 PRO C C 14 177.642 177.642 176.380 1.262 25483 7095 1 15 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.543 -5.565 25483 7096 1 15 . 1 1 14 14 PRO CB C 14 30.197 30.197 32.728 -2.531 25483 7097 1 15 . 1 1 15 15 GLY N N 15 108.958 108.958 106.535 2.423 25483 7098 1 15 . 1 1 15 15 GLY C C 15 173.520 173.520 173.117 0.403 25483 7099 1 15 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.235 0.798 25483 7100 1 15 . 1 1 15 15 GLY H H 15 8.534 8.534 7.915 0.619 25483 7101 1 15 . 1 1 16 16 CYS N N 16 122.701 122.701 120.806 1.895 25483 7102 1 15 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.407 0.627 25483 7103 1 15 . 1 1 16 16 CYS C C 16 175.994 175.994 173.489 2.505 25483 7104 1 15 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.624 -4.406 25483 7105 1 15 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.176 4.538 25483 7106 1 15 . 1 1 16 16 CYS H H 16 7.476 7.476 8.789 -1.313 25483 7107 1 15 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.433 -0.093 25483 7108 1 15 . 1 1 17 17 PRO C C 17 178.531 178.531 176.485 2.046 25483 7109 1 15 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.675 1.855 25483 7110 1 15 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.143 -0.003 25483 7111 1 15 . 1 1 18 18 TYR N N 18 121.799 121.799 118.879 2.920 25483 7112 1 15 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.683 -0.261 25483 7113 1 15 . 1 1 18 18 TYR C C 18 178.508 178.508 176.008 2.500 25483 7114 1 15 . 1 1 18 18 TYR CA C 18 61.076 61.076 57.569 3.507 25483 7115 1 15 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.633 1.800 25483 7116 1 15 . 1 1 18 18 TYR H H 18 8.148 8.148 8.849 -0.701 25483 7117 1 15 . 1 1 19 19 CYS N N 19 122.966 122.966 117.096 5.870 25483 7118 1 15 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.853 -0.851 25483 7119 1 15 . 1 1 19 19 CYS C C 19 177.642 177.642 175.384 2.258 25483 7120 1 15 . 1 1 19 19 CYS CA C 19 64.471 64.471 55.893 8.578 25483 7121 1 15 . 1 1 19 19 CYS CB C 19 31.017 31.017 27.330 3.687 25483 7122 1 15 . 1 1 19 19 CYS H H 19 7.833 7.833 7.916 -0.083 25483 7123 1 15 . 1 1 20 20 ALA N N 20 121.738 121.738 124.735 -2.997 25483 7124 1 15 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.282 -0.132 25483 7125 1 15 . 1 1 20 20 ALA C C 20 180.531 180.531 179.268 1.263 25483 7126 1 15 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.104 1.480 25483 7127 1 15 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.834 -0.805 25483 7128 1 15 . 1 1 20 20 ALA H H 20 7.080 7.080 8.386 -1.306 25483 7129 1 15 . 1 1 21 21 ARG N N 21 119.812 119.812 118.699 1.113 25483 7130 1 15 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.181 0.061 25483 7131 1 15 . 1 1 21 21 ARG CA C 21 57.925 57.925 58.625 -0.700 25483 7132 1 15 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.169 0.699 25483 7133 1 15 . 1 1 21 21 ARG H H 21 8.039 8.039 7.992 0.047 25483 7134 1 15 . 1 1 22 22 ALA N N 22 124.459 124.459 121.436 3.023 25483 7135 1 15 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.767 0.373 25483 7136 1 15 . 1 1 22 22 ALA C C 22 178.267 178.267 179.281 -1.014 25483 7137 1 15 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.933 0.738 25483 7138 1 15 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.032 1.192 25483 7139 1 15 . 1 1 22 22 ALA H H 22 7.768 7.768 8.144 -0.376 25483 7140 1 15 . 1 1 23 23 LYS N N 23 116.014 116.014 117.304 -1.290 25483 7141 1 15 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.514 -0.213 25483 7142 1 15 . 1 1 23 23 LYS C C 23 177.995 177.995 178.625 -0.630 25483 7143 1 15 . 1 1 23 23 LYS CA C 23 60.722 60.722 58.194 2.528 25483 7144 1 15 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.752 -0.102 25483 7145 1 15 . 1 1 23 23 LYS H H 23 7.984 7.984 7.481 0.503 25483 7146 1 15 . 1 1 24 24 ALA N N 24 120.042 120.042 122.303 -2.261 25483 7147 1 15 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.056 0.154 25483 7148 1 15 . 1 1 24 24 ALA C C 24 180.610 180.610 179.829 0.781 25483 7149 1 15 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.955 -0.090 25483 7150 1 15 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.112 -0.176 25483 7151 1 15 . 1 1 24 24 ALA H H 24 8.040 8.040 7.625 0.415 25483 7152 1 15 . 1 1 25 25 LEU N N 25 119.514 119.514 120.056 -0.542 25483 7153 1 15 . 1 1 25 25 LEU HA H 25 4.152 4.152 4.038 0.114 25483 7154 1 15 . 1 1 25 25 LEU C C 25 177.834 177.834 178.574 -0.740 25483 7155 1 15 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.629 0.059 25483 7156 1 15 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.704 -0.969 25483 7157 1 15 . 1 1 25 25 LEU H H 25 7.150 7.150 7.307 -0.157 25483 7158 1 15 . 1 1 26 26 LEU N N 26 117.253 117.253 117.064 0.189 25483 7159 1 15 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.911 -0.158 25483 7160 1 15 . 1 1 26 26 LEU C C 26 178.553 178.553 178.834 -0.281 25483 7161 1 15 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.728 0.747 25483 7162 1 15 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.153 -0.089 25483 7163 1 15 . 1 1 26 26 LEU H H 26 7.576 7.576 7.488 0.088 25483 7164 1 15 . 1 1 27 27 ALA N N 27 119.606 119.606 119.650 -0.044 25483 7165 1 15 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.187 0.154 25483 7166 1 15 . 1 1 27 27 ALA C C 27 182.219 182.219 178.865 3.354 25483 7167 1 15 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.275 1.051 25483 7168 1 15 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.575 -0.467 25483 7169 1 15 . 1 1 27 27 ALA H H 27 8.629 8.629 7.524 1.105 25483 7170 1 15 . 1 1 28 28 ARG N N 28 121.081 121.081 119.897 1.184 25483 7171 1 15 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.201 -0.036 25483 7172 1 15 . 1 1 28 28 ARG C C 28 178.659 178.659 178.347 0.312 25483 7173 1 15 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.035 1.146 25483 7174 1 15 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.418 -0.498 25483 7175 1 15 . 1 1 28 28 ARG H H 28 7.992 7.992 7.813 0.179 25483 7176 1 15 . 1 1 29 29 LYS N N 29 115.790 115.790 117.809 -2.019 25483 7177 1 15 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.379 -0.145 25483 7178 1 15 . 1 1 29 29 LYS C C 29 176.666 176.666 177.284 -0.618 25483 7179 1 15 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.981 -1.036 25483 7180 1 15 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.289 -0.848 25483 7181 1 15 . 1 1 29 29 LYS H H 29 7.663 7.663 7.651 0.012 25483 7182 1 15 . 1 1 30 30 GLY N N 30 107.767 107.767 108.316 -0.549 25483 7183 1 15 . 1 1 30 30 GLY C C 30 174.014 174.014 174.752 -0.738 25483 7184 1 15 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.796 -0.391 25483 7185 1 15 . 1 1 30 30 GLY H H 30 7.930 7.930 8.252 -0.322 25483 7186 1 15 . 1 1 31 31 ALA N N 31 122.192 122.192 120.991 1.201 25483 7187 1 15 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.245 0.258 25483 7188 1 15 . 1 1 31 31 ALA C C 31 176.691 176.691 177.132 -0.441 25483 7189 1 15 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.889 -1.258 25483 7190 1 15 . 1 1 31 31 ALA CB C 31 19.938 19.938 19.955 -0.017 25483 7191 1 15 . 1 1 31 31 ALA H H 31 7.844 7.844 7.506 0.338 25483 7192 1 15 . 1 1 32 32 GLU N N 32 123.903 123.903 121.383 2.520 25483 7193 1 15 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.162 0.073 25483 7194 1 15 . 1 1 32 32 GLU C C 32 176.080 176.080 175.530 0.550 25483 7195 1 15 . 1 1 32 32 GLU CA C 32 55.735 55.735 56.753 -1.018 25483 7196 1 15 . 1 1 32 32 GLU CB C 32 29.777 29.777 30.839 -1.062 25483 7197 1 15 . 1 1 32 32 GLU H H 32 8.337 8.337 8.576 -0.239 25483 7198 1 15 . 1 1 33 33 PHE N N 33 116.634 116.634 113.877 2.757 25483 7199 1 15 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.011 0.221 25483 7200 1 15 . 1 1 33 33 PHE C C 33 173.397 173.397 173.725 -0.328 25483 7201 1 15 . 1 1 33 33 PHE CA C 33 55.221 55.221 56.873 -1.652 25483 7202 1 15 . 1 1 33 33 PHE CB C 33 41.508 41.508 40.876 0.632 25483 7203 1 15 . 1 1 33 33 PHE H H 33 7.640 7.640 7.631 0.009 25483 7204 1 15 . 1 1 34 34 ASN N N 34 120.133 120.133 120.089 0.044 25483 7205 1 15 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.965 0.006 25483 7206 1 15 . 1 1 34 34 ASN C C 34 173.199 173.199 174.127 -0.928 25483 7207 1 15 . 1 1 34 34 ASN CA C 34 52.180 52.180 51.826 0.354 25483 7208 1 15 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.413 -1.573 25483 7209 1 15 . 1 1 34 34 ASN H H 34 8.921 8.921 8.430 0.491 25483 7210 1 15 . 1 1 35 35 GLU N N 35 126.204 126.204 123.996 2.208 25483 7211 1 15 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.659 0.519 25483 7212 1 15 . 1 1 35 35 GLU C C 35 175.185 175.185 175.817 -0.632 25483 7213 1 15 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.410 -1.859 25483 7214 1 15 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.402 0.035 25483 7215 1 15 . 1 1 35 35 GLU H H 35 8.758 8.758 8.742 0.016 25483 7216 1 15 . 1 1 36 36 ILE N N 36 130.012 130.012 121.906 8.106 25483 7217 1 15 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.173 -0.012 25483 7218 1 15 . 1 1 36 36 ILE C C 36 174.987 174.987 174.358 0.629 25483 7219 1 15 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.697 0.486 25483 7220 1 15 . 1 1 36 36 ILE CB C 36 40.273 40.273 39.640 0.633 25483 7221 1 15 . 1 1 36 36 ILE H H 36 9.080 9.080 7.846 1.234 25483 7222 1 15 . 1 1 37 37 ASP N N 37 125.921 125.921 126.697 -0.776 25483 7223 1 15 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.444 0.558 25483 7224 1 15 . 1 1 37 37 ASP C C 37 176.847 176.847 175.124 1.723 25483 7225 1 15 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.413 -1.535 25483 7226 1 15 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.360 -1.070 25483 7227 1 15 . 1 1 37 37 ASP H H 37 8.515 8.515 8.516 -0.001 25483 7228 1 15 . 1 1 38 38 ALA N N 38 130.525 130.525 127.249 3.276 25483 7229 1 15 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.391 0.267 25483 7230 1 15 . 1 1 38 38 ALA C C 38 175.507 175.507 177.602 -2.095 25483 7231 1 15 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.552 0.368 25483 7232 1 15 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.216 0.396 25483 7233 1 15 . 1 1 38 38 ALA H H 38 8.845 8.845 7.648 1.197 25483 7234 1 15 . 1 1 39 39 SER N N 39 111.653 111.653 112.292 -0.639 25483 7235 1 15 . 1 1 39 39 SER HA H 39 4.425 4.425 4.147 0.278 25483 7236 1 15 . 1 1 39 39 SER C C 39 176.988 176.988 174.446 2.542 25483 7237 1 15 . 1 1 39 39 SER CA C 39 59.504 59.504 59.539 -0.035 25483 7238 1 15 . 1 1 39 39 SER CB C 39 64.768 64.768 62.706 2.062 25483 7239 1 15 . 1 1 39 39 SER H H 39 8.727 8.727 8.893 -0.166 25483 7240 1 15 . 1 1 40 40 ALA N N 40 124.164 124.164 120.028 4.136 25483 7241 1 15 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.471 -0.242 25483 7242 1 15 . 1 1 40 40 ALA C C 40 178.039 178.039 176.892 1.147 25483 7243 1 15 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.474 2.373 25483 7244 1 15 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.038 0.340 25483 7245 1 15 . 1 1 40 40 ALA H H 40 7.543 7.543 8.214 -0.671 25483 7246 1 15 . 1 1 41 41 THR N N 41 106.060 106.060 113.202 -7.142 25483 7247 1 15 . 1 1 41 41 THR HA H 41 5.006 5.006 4.831 0.175 25483 7248 1 15 . 1 1 41 41 THR C C 41 173.200 173.200 173.094 0.106 25483 7249 1 15 . 1 1 41 41 THR CA C 41 57.856 57.856 57.821 0.035 25483 7250 1 15 . 1 1 41 41 THR CB C 41 70.541 70.541 70.155 0.386 25483 7251 1 15 . 1 1 41 41 THR H H 41 7.162 7.162 7.554 -0.392 25483 7252 1 15 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.467 -0.142 25483 7253 1 15 . 1 1 42 42 PRO C C 42 179.534 179.534 177.716 1.818 25483 7254 1 15 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.625 0.182 25483 7255 1 15 . 1 1 42 42 PRO CB C 42 31.741 31.741 31.985 -0.244 25483 7256 1 15 . 1 1 43 43 GLU N N 43 118.723 118.723 119.042 -0.319 25483 7257 1 15 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.120 -0.012 25483 7258 1 15 . 1 1 43 43 GLU C C 43 179.692 179.692 178.379 1.313 25483 7259 1 15 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.140 1.581 25483 7260 1 15 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.787 -1.236 25483 7261 1 15 . 1 1 43 43 GLU H H 43 9.124 9.124 8.036 1.088 25483 7262 1 15 . 1 1 44 44 LEU N N 44 121.970 121.970 119.871 2.099 25483 7263 1 15 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.138 0.202 25483 7264 1 15 . 1 1 44 44 LEU C C 44 178.924 178.924 178.787 0.137 25483 7265 1 15 . 1 1 44 44 LEU CA C 44 57.472 57.472 57.849 -0.377 25483 7266 1 15 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.740 0.692 25483 7267 1 15 . 1 1 44 44 LEU H H 44 7.838 7.838 7.687 0.151 25483 7268 1 15 . 1 1 45 45 ARG N N 45 122.130 122.130 119.409 2.721 25483 7269 1 15 . 1 1 45 45 ARG HA H 45 4.093 4.093 4.012 0.081 25483 7270 1 15 . 1 1 45 45 ARG C C 45 178.955 178.955 178.183 0.772 25483 7271 1 15 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.256 0.868 25483 7272 1 15 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.110 0.037 25483 7273 1 15 . 1 1 45 45 ARG H H 45 7.762 7.762 7.996 -0.234 25483 7274 1 15 . 1 1 46 46 ALA N N 46 121.165 121.165 118.689 2.476 25483 7275 1 15 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.402 -0.266 25483 7276 1 15 . 1 1 46 46 ALA C C 46 179.912 179.912 179.199 0.713 25483 7277 1 15 . 1 1 46 46 ALA CA C 46 54.945 54.945 53.790 1.155 25483 7278 1 15 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.602 -0.890 25483 7279 1 15 . 1 1 46 46 ALA H H 46 8.160 8.160 7.588 0.572 25483 7280 1 15 . 1 1 47 47 GLU N N 47 120.906 120.906 119.198 1.708 25483 7281 1 15 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.129 -0.076 25483 7282 1 15 . 1 1 47 47 GLU C C 47 178.039 178.039 178.217 -0.178 25483 7283 1 15 . 1 1 47 47 GLU CA C 47 59.500 59.500 58.986 0.514 25483 7284 1 15 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.808 0.003 25483 7285 1 15 . 1 1 47 47 GLU H H 47 7.918 7.918 7.881 0.037 25483 7286 1 15 . 1 1 48 48 MET N N 48 118.645 118.645 117.054 1.591 25483 7287 1 15 . 1 1 48 48 MET HA H 48 2.897 2.897 4.338 -1.440 25483 7288 1 15 . 1 1 48 48 MET C C 48 180.282 180.282 177.195 3.087 25483 7289 1 15 . 1 1 48 48 MET CA C 48 59.540 59.540 56.380 3.160 25483 7290 1 15 . 1 1 48 48 MET CB C 48 33.502 33.502 33.082 0.420 25483 7291 1 15 . 1 1 48 48 MET H H 48 8.047 8.047 7.739 0.308 25483 7292 1 15 . 1 1 49 49 GLN N N 49 122.104 122.104 118.490 3.614 25483 7293 1 15 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.170 0.169 25483 7294 1 15 . 1 1 49 49 GLN C C 49 178.780 178.780 177.040 1.740 25483 7295 1 15 . 1 1 49 49 GLN CA C 49 58.744 58.744 57.935 0.809 25483 7296 1 15 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.025 0.213 25483 7297 1 15 . 1 1 49 49 GLN H H 49 8.237 8.237 7.678 0.559 25483 7298 1 15 . 1 1 50 50 GLU N N 50 121.947 121.947 118.972 2.975 25483 7299 1 15 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.140 -0.171 25483 7300 1 15 . 1 1 50 50 GLU C C 50 178.863 178.863 177.601 1.262 25483 7301 1 15 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.187 0.944 25483 7302 1 15 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.503 0.216 25483 7303 1 15 . 1 1 50 50 GLU H H 50 8.659 8.659 7.916 0.743 25483 7304 1 15 . 1 1 51 51 ARG N N 51 115.832 115.832 118.159 -2.327 25483 7305 1 15 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.472 -0.412 25483 7306 1 15 . 1 1 51 51 ARG C C 51 177.748 177.748 176.987 0.761 25483 7307 1 15 . 1 1 51 51 ARG CA C 51 58.480 58.480 56.532 1.948 25483 7308 1 15 . 1 1 51 51 ARG CB C 51 31.158 31.158 31.175 -0.017 25483 7309 1 15 . 1 1 51 51 ARG H H 51 8.231 8.231 8.142 0.089 25483 7310 1 15 . 1 1 52 52 SER N N 52 109.790 109.790 115.808 -6.018 25483 7311 1 15 . 1 1 52 52 SER HA H 52 3.759 3.759 4.390 -0.631 25483 7312 1 15 . 1 1 52 52 SER C C 52 174.149 174.149 173.983 0.166 25483 7313 1 15 . 1 1 52 52 SER CA C 52 58.883 58.883 58.874 0.009 25483 7314 1 15 . 1 1 52 52 SER CB C 52 66.744 66.744 63.957 2.787 25483 7315 1 15 . 1 1 52 52 SER H H 52 8.032 8.032 7.865 0.167 25483 7316 1 15 . 1 1 53 53 GLY N N 53 112.524 112.524 110.651 1.873 25483 7317 1 15 . 1 1 53 53 GLY C C 53 173.690 173.690 173.867 -0.177 25483 7318 1 15 . 1 1 53 53 GLY CA C 53 46.093 46.093 45.109 0.984 25483 7319 1 15 . 1 1 53 53 GLY H H 53 8.239 8.239 8.654 -0.415 25483 7320 1 15 . 1 1 54 54 ARG N N 54 119.453 119.453 119.544 -0.091 25483 7321 1 15 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.571 0.082 25483 7322 1 15 . 1 1 54 54 ARG C C 54 174.144 174.144 174.260 -0.116 25483 7323 1 15 . 1 1 54 54 ARG CA C 54 54.660 54.660 55.482 -0.822 25483 7324 1 15 . 1 1 54 54 ARG CB C 54 35.255 35.255 32.838 2.417 25483 7325 1 15 . 1 1 54 54 ARG H H 54 8.309 8.309 7.845 0.464 25483 7326 1 15 . 1 1 55 55 ASN N N 55 112.521 112.521 118.879 -6.358 25483 7327 1 15 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.929 -0.236 25483 7328 1 15 . 1 1 55 55 ASN C C 55 175.197 175.197 174.757 0.440 25483 7329 1 15 . 1 1 55 55 ASN CA C 55 51.681 51.681 53.401 -1.720 25483 7330 1 15 . 1 1 55 55 ASN CB C 55 39.468 39.468 38.755 0.713 25483 7331 1 15 . 1 1 55 55 ASN H H 55 8.154 8.154 8.503 -0.349 25483 7332 1 15 . 1 1 56 56 THR N N 56 107.919 107.919 114.271 -6.352 25483 7333 1 15 . 1 1 56 56 THR HA H 56 4.356 4.356 4.454 -0.098 25483 7334 1 15 . 1 1 56 56 THR C C 56 172.477 172.477 173.857 -1.380 25483 7335 1 15 . 1 1 56 56 THR CA C 56 59.438 59.438 62.532 -3.095 25483 7336 1 15 . 1 1 56 56 THR CB C 56 70.636 70.636 69.564 1.072 25483 7337 1 15 . 1 1 56 56 THR H H 56 6.778 6.778 8.038 -1.260 25483 7338 1 15 . 1 1 57 57 PHE N N 57 117.789 117.789 117.497 0.292 25483 7339 1 15 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.085 -0.360 25483 7340 1 15 . 1 1 57 57 PHE C C 57 174.241 174.241 173.443 0.798 25483 7341 1 15 . 1 1 57 57 PHE CA C 57 55.088 55.088 54.277 0.811 25483 7342 1 15 . 1 1 57 57 PHE CB C 57 43.506 43.506 39.532 3.974 25483 7343 1 15 . 1 1 57 57 PHE H H 57 8.469 8.469 7.095 1.374 25483 7344 1 15 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.574 1.039 25483 7345 1 15 . 1 1 58 58 PRO C C 58 177.062 177.062 176.077 0.985 25483 7346 1 15 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.765 0.417 25483 7347 1 15 . 1 1 58 58 PRO CB C 58 36.461 36.461 32.702 3.759 25483 7348 1 15 . 1 1 59 59 GLN N N 59 112.113 112.113 118.804 -6.691 25483 7349 1 15 . 1 1 59 59 GLN HA H 59 4.820 4.820 5.048 -0.228 25483 7350 1 15 . 1 1 59 59 GLN C C 59 175.655 175.655 175.957 -0.302 25483 7351 1 15 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.357 0.811 25483 7352 1 15 . 1 1 59 59 GLN CB C 59 31.479 31.479 30.731 0.748 25483 7353 1 15 . 1 1 59 59 GLN H H 59 8.041 8.041 8.274 -0.233 25483 7354 1 15 . 1 1 60 60 ILE N N 60 123.134 123.134 120.824 2.310 25483 7355 1 15 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.627 0.331 25483 7356 1 15 . 1 1 60 60 ILE C C 60 174.350 174.350 175.254 -0.904 25483 7357 1 15 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.870 1.304 25483 7358 1 15 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.526 1.302 25483 7359 1 15 . 1 1 60 60 ILE H H 60 8.940 8.940 7.975 0.965 25483 7360 1 15 . 1 1 61 61 PHE N N 61 128.163 128.163 124.144 4.019 25483 7361 1 15 . 1 1 61 61 PHE HA H 61 5.393 5.393 5.487 -0.094 25483 7362 1 15 . 1 1 61 61 PHE C C 61 174.659 174.659 174.805 -0.146 25483 7363 1 15 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.510 0.136 25483 7364 1 15 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.039 -1.304 25483 7365 1 15 . 1 1 61 61 PHE H H 61 9.645 9.645 9.117 0.528 25483 7366 1 15 . 1 1 62 62 ILE N N 62 122.592 122.592 118.894 3.698 25483 7367 1 15 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.874 -0.244 25483 7368 1 15 . 1 1 62 62 ILE C C 62 175.360 175.360 175.954 -0.594 25483 7369 1 15 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.815 1.193 25483 7370 1 15 . 1 1 62 62 ILE CB C 62 39.569 39.569 39.121 0.448 25483 7371 1 15 . 1 1 62 62 ILE H H 62 9.066 9.066 8.797 0.269 25483 7372 1 15 . 1 1 63 63 GLY N N 63 116.263 116.263 116.780 -0.517 25483 7373 1 15 . 1 1 63 63 GLY C C 63 175.630 175.630 174.813 0.817 25483 7374 1 15 . 1 1 63 63 GLY CA C 63 47.253 47.253 45.581 1.672 25483 7375 1 15 . 1 1 63 63 GLY H H 63 9.307 9.307 8.535 0.772 25483 7376 1 15 . 1 1 64 64 SER N N 64 122.053 122.053 113.130 8.923 25483 7377 1 15 . 1 1 64 64 SER HA H 64 4.566 4.566 4.249 0.317 25483 7378 1 15 . 1 1 64 64 SER C C 64 173.891 173.891 173.223 0.668 25483 7379 1 15 . 1 1 64 64 SER CA C 64 59.071 59.071 59.520 -0.449 25483 7380 1 15 . 1 1 64 64 SER CB C 64 63.895 63.895 63.283 0.612 25483 7381 1 15 . 1 1 64 64 SER H H 64 9.236 9.236 8.888 0.348 25483 7382 1 15 . 1 1 65 65 VAL N N 65 124.553 124.553 119.702 4.851 25483 7383 1 15 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.261 -0.184 25483 7384 1 15 . 1 1 65 65 VAL C C 65 175.294 175.294 174.529 0.765 25483 7385 1 15 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.161 1.574 25483 7386 1 15 . 1 1 65 65 VAL CB C 65 33.078 33.078 33.958 -0.880 25483 7387 1 15 . 1 1 65 65 VAL H H 65 8.494 8.494 7.868 0.626 25483 7388 1 15 . 1 1 66 66 HIS N N 66 102.561 102.561 128.078 -25.517 25483 7389 1 15 . 1 1 66 66 HIS HA H 66 4.362 4.362 3.791 0.571 25483 7390 1 15 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.359 -0.746 25483 7391 1 15 . 1 1 66 66 HIS CB C 66 30.941 30.941 29.941 1.000 25483 7392 1 15 . 1 1 66 66 HIS H H 66 8.966 8.966 8.495 0.471 25483 7393 1 15 . 1 1 67 67 VAL N N 67 130.151 130.151 128.192 1.959 25483 7394 1 15 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.088 -0.658 25483 7395 1 15 . 1 1 67 67 VAL C C 67 174.677 174.677 174.709 -0.032 25483 7396 1 15 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.056 3.973 25483 7397 1 15 . 1 1 67 67 VAL CB C 67 32.426 32.426 33.427 -1.001 25483 7398 1 15 . 1 1 67 67 VAL H H 67 8.214 8.214 8.532 -0.318 25483 7399 1 15 . 1 1 68 68 GLY N N 68 102.768 102.768 116.205 -13.437 25483 7400 1 15 . 1 1 68 68 GLY C C 68 173.023 173.023 174.255 -1.232 25483 7401 1 15 . 1 1 68 68 GLY CA C 68 43.780 43.780 46.798 -3.018 25483 7402 1 15 . 1 1 68 68 GLY H H 68 6.436 6.436 8.252 -1.816 25483 7403 1 15 . 1 1 69 69 GLY N N 69 110.061 110.061 107.794 2.267 25483 7404 1 15 . 1 1 69 69 GLY C C 69 175.375 175.375 175.173 0.202 25483 7405 1 15 . 1 1 69 69 GLY CA C 69 43.923 43.923 45.717 -1.794 25483 7406 1 15 . 1 1 69 69 GLY H H 69 9.004 9.004 7.921 1.083 25483 7407 1 15 . 1 1 70 70 SER N N 70 113.592 113.592 118.171 -4.579 25483 7408 1 15 . 1 1 70 70 SER HA H 70 3.894 3.894 4.212 -0.318 25483 7409 1 15 . 1 1 70 70 SER CA C 70 62.816 62.816 61.145 1.671 25483 7410 1 15 . 1 1 70 70 SER H H 70 8.088 8.088 8.266 -0.178 25483 7411 1 15 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.320 0.084 25483 7412 1 15 . 1 1 71 71 ASP C C 71 179.115 179.115 177.704 1.411 25483 7413 1 15 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.147 0.464 25483 7414 1 15 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.386 -1.061 25483 7415 1 15 . 1 1 72 72 ASP N N 72 119.325 119.325 119.638 -0.313 25483 7416 1 15 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.361 -0.015 25483 7417 1 15 . 1 1 72 72 ASP C C 72 177.816 177.816 178.532 -0.716 25483 7418 1 15 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.899 0.314 25483 7419 1 15 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.485 0.924 25483 7420 1 15 . 1 1 72 72 ASP H H 72 7.232 7.232 8.349 -1.117 25483 7421 1 15 . 1 1 73 73 LEU N N 73 121.336 121.336 120.308 1.028 25483 7422 1 15 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.913 -0.140 25483 7423 1 15 . 1 1 73 73 LEU C C 73 177.957 177.957 178.376 -0.419 25483 7424 1 15 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.125 0.229 25483 7425 1 15 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.601 0.575 25483 7426 1 15 . 1 1 73 73 LEU H H 73 7.789 7.789 7.484 0.305 25483 7427 1 15 . 1 1 74 74 TYR N N 74 116.570 116.570 117.797 -1.227 25483 7428 1 15 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.363 -0.614 25483 7429 1 15 . 1 1 74 74 TYR C C 74 178.275 178.275 177.982 0.293 25483 7430 1 15 . 1 1 74 74 TYR CA C 74 62.698 62.698 60.115 2.583 25483 7431 1 15 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.491 0.020 25483 7432 1 15 . 1 1 74 74 TYR H H 74 8.318 8.318 7.297 1.021 25483 7433 1 15 . 1 1 75 75 ALA N N 75 122.593 122.593 122.893 -0.300 25483 7434 1 15 . 1 1 75 75 ALA HA H 75 4.255 4.255 4.012 0.243 25483 7435 1 15 . 1 1 75 75 ALA C C 75 180.162 180.162 179.339 0.823 25483 7436 1 15 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.130 0.472 25483 7437 1 15 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.309 -0.680 25483 7438 1 15 . 1 1 75 75 ALA H H 75 8.082 8.082 7.730 0.352 25483 7439 1 15 . 1 1 76 76 LEU N N 76 116.647 116.647 118.968 -2.321 25483 7440 1 15 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.856 0.199 25483 7441 1 15 . 1 1 76 76 LEU C C 76 179.538 179.538 178.864 0.674 25483 7442 1 15 . 1 1 76 76 LEU CA C 76 57.856 57.856 58.056 -0.201 25483 7443 1 15 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.479 1.198 25483 7444 1 15 . 1 1 76 76 LEU H H 76 7.389 7.389 8.308 -0.919 25483 7445 1 15 . 1 1 77 77 GLU N N 77 121.342 121.342 118.578 2.764 25483 7446 1 15 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.944 0.653 25483 7447 1 15 . 1 1 77 77 GLU C C 77 179.674 179.674 178.850 0.824 25483 7448 1 15 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.779 -1.748 25483 7449 1 15 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.369 -1.252 25483 7450 1 15 . 1 1 77 77 GLU H H 77 7.461 7.461 7.744 -0.283 25483 7451 1 15 . 1 1 78 78 ASP N N 78 123.339 123.339 119.076 4.263 25483 7452 1 15 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.500 -0.049 25483 7453 1 15 . 1 1 78 78 ASP C C 78 178.412 178.412 178.301 0.111 25483 7454 1 15 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.471 0.999 25483 7455 1 15 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.989 -0.445 25483 7456 1 15 . 1 1 78 78 ASP H H 78 8.650 8.650 7.553 1.097 25483 7457 1 15 . 1 1 79 79 GLU N N 79 115.360 115.360 117.510 -2.150 25483 7458 1 15 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.147 0.185 25483 7459 1 15 . 1 1 79 79 GLU C C 79 176.861 176.861 177.944 -1.083 25483 7460 1 15 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.104 -0.789 25483 7461 1 15 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.355 0.346 25483 7462 1 15 . 1 1 79 79 GLU H H 79 7.791 7.791 7.936 -0.145 25483 7463 1 15 . 1 1 80 80 GLY N N 80 108.851 108.851 107.277 1.574 25483 7464 1 15 . 1 1 80 80 GLY C C 80 176.085 176.085 174.144 1.941 25483 7465 1 15 . 1 1 80 80 GLY CA C 80 46.241 46.241 44.909 1.332 25483 7466 1 15 . 1 1 80 80 GLY H H 80 8.078 8.078 8.437 -0.359 25483 7467 1 15 . 1 1 81 81 LYS N N 81 116.858 116.858 119.431 -2.573 25483 7468 1 15 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.645 -0.200 25483 7469 1 15 . 1 1 81 81 LYS C C 81 176.789 176.789 176.277 0.512 25483 7470 1 15 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.235 1.333 25483 7471 1 15 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.317 2.687 25483 7472 1 15 . 1 1 81 81 LYS H H 81 8.216 8.216 8.257 -0.041 25483 7473 1 15 . 1 1 82 82 LEU N N 82 122.543 122.543 116.761 5.782 25483 7474 1 15 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.201 -0.160 25483 7475 1 15 . 1 1 82 82 LEU C C 82 177.466 177.466 177.856 -0.390 25483 7476 1 15 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.789 -0.292 25483 7477 1 15 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.697 -1.208 25483 7478 1 15 . 1 1 82 82 LEU H H 82 7.516 7.516 7.917 -0.401 25483 7479 1 15 . 1 1 83 83 ASP N N 83 119.643 119.643 119.676 -0.033 25483 7480 1 15 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.287 0.019 25483 7481 1 15 . 1 1 83 83 ASP C C 83 178.744 178.744 178.150 0.594 25483 7482 1 15 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.716 1.022 25483 7483 1 15 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.137 -0.183 25483 7484 1 15 . 1 1 83 83 ASP H H 83 8.662 8.662 8.349 0.313 25483 7485 1 15 . 1 1 84 84 SER N N 84 113.208 113.208 113.551 -0.343 25483 7486 1 15 . 1 1 84 84 SER HA H 84 4.266 4.266 4.289 -0.023 25483 7487 1 15 . 1 1 84 84 SER C C 84 177.581 177.581 176.581 1.000 25483 7488 1 15 . 1 1 84 84 SER CA C 84 61.483 61.483 60.730 0.753 25483 7489 1 15 . 1 1 84 84 SER CB C 84 62.667 62.667 63.064 -0.397 25483 7490 1 15 . 1 1 84 84 SER H H 84 8.425 8.425 8.359 0.066 25483 7491 1 15 . 1 1 85 85 LEU N N 85 126.393 126.393 121.980 4.413 25483 7492 1 15 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.288 0.067 25483 7493 1 15 . 1 1 85 85 LEU C C 85 178.692 178.692 177.431 1.261 25483 7494 1 15 . 1 1 85 85 LEU CA C 85 58.409 58.409 57.795 0.614 25483 7495 1 15 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.560 -1.045 25483 7496 1 15 . 1 1 85 85 LEU H H 85 7.577 7.577 7.167 0.410 25483 7497 1 15 . 1 1 86 86 LEU N N 86 117.833 117.833 113.544 4.289 25483 7498 1 15 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.498 -0.615 25483 7499 1 15 . 1 1 86 86 LEU C C 86 177.470 177.470 177.815 -0.345 25483 7500 1 15 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.513 1.268 25483 7501 1 15 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.671 0.131 25483 7502 1 15 . 1 1 86 86 LEU H H 86 8.406 8.406 8.357 0.049 25483 7503 1 15 . 1 1 87 87 LYS N N 87 113.997 113.997 117.542 -3.545 25483 7504 1 15 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.478 -0.089 25483 7505 1 15 . 1 1 87 87 LYS C C 87 178.282 178.282 176.403 1.879 25483 7506 1 15 . 1 1 87 87 LYS CA C 87 58.334 58.334 57.477 0.856 25483 7507 1 15 . 1 1 87 87 LYS CB C 87 33.913 33.913 35.006 -1.093 25483 7508 1 15 . 1 1 87 87 LYS H H 87 7.548 7.548 8.077 -0.529 25483 7509 1 15 . 1 1 88 88 THR N N 88 106.050 106.050 108.880 -2.830 25483 7510 1 15 . 1 1 88 88 THR HA H 88 4.545 4.545 4.645 -0.100 25483 7511 1 15 . 1 1 88 88 THR C C 88 176.566 176.566 175.407 1.159 25483 7512 1 15 . 1 1 88 88 THR CA C 88 62.396 62.396 60.148 2.248 25483 7513 1 15 . 1 1 88 88 THR CB C 88 72.438 72.438 69.666 2.772 25483 7514 1 15 . 1 1 88 88 THR H H 88 8.178 8.178 7.662 0.516 25483 7515 1 15 . 1 1 89 89 GLY N N 89 112.811 112.811 110.358 2.453 25483 7516 1 15 . 1 1 89 89 GLY C C 89 171.985 171.985 174.653 -2.668 25483 7517 1 15 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.917 0.899 25483 7518 1 15 . 1 1 89 89 GLY H H 89 9.153 9.153 7.726 1.427 25483 7519 1 15 . 1 1 90 90 LYS N N 90 117.650 117.650 118.752 -1.102 25483 7520 1 15 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.300 0.210 25483 7521 1 15 . 1 1 90 90 LYS C C 90 174.330 174.330 177.899 -3.569 25483 7522 1 15 . 1 1 90 90 LYS CA C 90 54.609 54.609 57.134 -2.525 25483 7523 1 15 . 1 1 90 90 LYS CB C 90 35.701 35.701 33.008 2.693 25483 7524 1 15 . 1 1 90 90 LYS H H 90 7.940 7.940 7.574 0.366 25483 7525 1 15 . 1 1 91 91 LEU N N 91 123.149 123.149 120.023 3.126 25483 7526 1 15 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.560 -0.091 25483 7527 1 15 . 1 1 91 91 LEU C C 91 175.848 175.848 176.775 -0.927 25483 7528 1 15 . 1 1 91 91 LEU CA C 91 54.600 54.600 56.308 -1.708 25483 7529 1 15 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.491 0.520 25483 7530 1 15 . 1 1 91 91 LEU H H 91 8.501 8.501 8.601 -0.100 25483 7531 1 16 . 1 1 3 3 GLY N N 3 110.312 110.312 107.596 2.716 25483 7532 1 16 . 1 1 3 3 GLY C C 3 174.169 174.169 173.002 1.167 25483 7533 1 16 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.653 0.822 25483 7534 1 16 . 1 1 3 3 GLY H H 3 8.679 8.679 7.861 0.818 25483 7535 1 16 . 1 1 4 4 SER N N 4 115.617 115.617 113.767 1.850 25483 7536 1 16 . 1 1 4 4 SER HA H 4 4.499 4.499 5.011 -0.512 25483 7537 1 16 . 1 1 4 4 SER C C 4 174.408 174.408 173.769 0.639 25483 7538 1 16 . 1 1 4 4 SER CA C 4 58.541 58.541 57.330 1.211 25483 7539 1 16 . 1 1 4 4 SER CB C 4 63.920 63.920 64.462 -0.542 25483 7540 1 16 . 1 1 4 4 SER H H 4 8.237 8.237 8.271 -0.034 25483 7541 1 16 . 1 1 5 5 MET N N 5 121.390 121.390 117.401 3.989 25483 7542 1 16 . 1 1 5 5 MET HA H 5 4.702 4.702 4.844 -0.142 25483 7543 1 16 . 1 1 5 5 MET C C 5 176.122 176.122 174.738 1.384 25483 7544 1 16 . 1 1 5 5 MET CA C 5 55.600 55.600 54.453 1.147 25483 7545 1 16 . 1 1 5 5 MET CB C 5 34.357 34.357 35.518 -1.161 25483 7546 1 16 . 1 1 5 5 MET H H 5 8.309 8.309 8.262 0.047 25483 7547 1 16 . 1 1 6 6 VAL N N 6 117.990 117.990 117.569 0.421 25483 7548 1 16 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.529 -0.328 25483 7549 1 16 . 1 1 6 6 VAL C C 6 174.450 174.450 174.790 -0.340 25483 7550 1 16 . 1 1 6 6 VAL CA C 6 61.418 61.418 59.931 1.487 25483 7551 1 16 . 1 1 6 6 VAL CB C 6 32.585 32.585 33.098 -0.513 25483 7552 1 16 . 1 1 6 6 VAL H H 6 8.175 8.175 8.499 -0.324 25483 7553 1 16 . 1 1 7 7 ASP N N 7 121.785 121.785 119.748 2.037 25483 7554 1 16 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.844 -0.276 25483 7555 1 16 . 1 1 7 7 ASP C C 7 175.866 175.866 175.518 0.348 25483 7556 1 16 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.423 1.744 25483 7557 1 16 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.276 -1.677 25483 7558 1 16 . 1 1 7 7 ASP H H 7 8.332 8.332 8.283 0.049 25483 7559 1 16 . 1 1 8 8 VAL N N 8 124.023 124.023 123.037 0.986 25483 7560 1 16 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.729 0.269 25483 7561 1 16 . 1 1 8 8 VAL C C 8 174.859 174.859 176.042 -1.183 25483 7562 1 16 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.396 -0.935 25483 7563 1 16 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.730 0.591 25483 7564 1 16 . 1 1 8 8 VAL H H 8 8.658 8.658 8.538 0.120 25483 7565 1 16 . 1 1 9 9 ILE N N 9 129.744 129.744 124.299 5.445 25483 7566 1 16 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.714 0.297 25483 7567 1 16 . 1 1 9 9 ILE C C 9 174.323 174.323 174.227 0.096 25483 7568 1 16 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.441 -0.744 25483 7569 1 16 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.793 -1.514 25483 7570 1 16 . 1 1 9 9 ILE H H 9 9.306 9.306 8.661 0.645 25483 7571 1 16 . 1 1 10 10 ILE N N 10 123.657 123.657 122.195 1.462 25483 7572 1 16 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.207 0.192 25483 7573 1 16 . 1 1 10 10 ILE C C 10 173.066 173.066 173.917 -0.851 25483 7574 1 16 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.699 -0.210 25483 7575 1 16 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.724 -0.927 25483 7576 1 16 . 1 1 10 10 ILE H H 10 8.734 8.734 8.971 -0.237 25483 7577 1 16 . 1 1 11 11 TYR N N 11 128.973 128.973 128.066 0.907 25483 7578 1 16 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.722 0.965 25483 7579 1 16 . 1 1 11 11 TYR C C 11 176.756 176.756 174.620 2.136 25483 7580 1 16 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.165 -0.757 25483 7581 1 16 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.624 1.660 25483 7582 1 16 . 1 1 11 11 TYR H H 11 9.292 9.292 8.833 0.459 25483 7583 1 16 . 1 1 12 12 THR N N 12 112.725 112.725 117.354 -4.629 25483 7584 1 16 . 1 1 12 12 THR HA H 12 5.732 5.732 4.505 1.227 25483 7585 1 16 . 1 1 12 12 THR C C 12 172.866 172.866 173.080 -0.214 25483 7586 1 16 . 1 1 12 12 THR CA C 12 59.671 59.671 60.570 -0.899 25483 7587 1 16 . 1 1 12 12 THR CB C 12 72.735 72.735 71.160 1.575 25483 7588 1 16 . 1 1 12 12 THR H H 12 9.253 9.253 7.903 1.350 25483 7589 1 16 . 1 1 13 13 ARG N N 13 116.857 116.857 123.111 -6.254 25483 7590 1 16 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.412 0.373 25483 7591 1 16 . 1 1 13 13 ARG C C 13 173.407 173.407 175.276 -1.869 25483 7592 1 16 . 1 1 13 13 ARG CA C 13 53.254 53.254 55.375 -2.121 25483 7593 1 16 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.197 1.400 25483 7594 1 16 . 1 1 13 13 ARG H H 13 8.695 8.695 8.388 0.307 25483 7595 1 16 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.507 -0.346 25483 7596 1 16 . 1 1 14 14 PRO C C 14 177.642 177.642 176.770 0.872 25483 7597 1 16 . 1 1 14 14 PRO CA C 14 57.978 57.978 62.792 -4.814 25483 7598 1 16 . 1 1 14 14 PRO CB C 14 30.197 30.197 30.891 -0.694 25483 7599 1 16 . 1 1 15 15 GLY N N 15 108.958 108.958 111.900 -2.942 25483 7600 1 16 . 1 1 15 15 GLY C C 15 173.520 173.520 173.517 0.003 25483 7601 1 16 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.579 0.454 25483 7602 1 16 . 1 1 15 15 GLY H H 15 8.534 8.534 8.493 0.041 25483 7603 1 16 . 1 1 16 16 CYS N N 16 122.701 122.701 122.744 -0.043 25483 7604 1 16 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.578 0.457 25483 7605 1 16 . 1 1 16 16 CYS C C 16 175.994 175.994 173.394 2.600 25483 7606 1 16 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.377 -4.159 25483 7607 1 16 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.515 4.199 25483 7608 1 16 . 1 1 16 16 CYS H H 16 7.476 7.476 8.596 -1.120 25483 7609 1 16 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.268 0.072 25483 7610 1 16 . 1 1 17 17 PRO C C 17 178.531 178.531 176.710 1.821 25483 7611 1 16 . 1 1 17 17 PRO CA C 17 64.531 64.531 63.281 1.250 25483 7612 1 16 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.078 0.062 25483 7613 1 16 . 1 1 18 18 TYR N N 18 121.799 121.799 118.662 3.137 25483 7614 1 16 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.236 0.186 25483 7615 1 16 . 1 1 18 18 TYR C C 18 178.508 178.508 177.017 1.491 25483 7616 1 16 . 1 1 18 18 TYR CA C 18 61.076 61.076 60.421 0.655 25483 7617 1 16 . 1 1 18 18 TYR CB C 18 38.433 38.433 38.647 -0.214 25483 7618 1 16 . 1 1 18 18 TYR H H 18 8.148 8.148 8.394 -0.246 25483 7619 1 16 . 1 1 19 19 CYS N N 19 122.966 122.966 115.003 7.963 25483 7620 1 16 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.123 -0.121 25483 7621 1 16 . 1 1 19 19 CYS C C 19 177.642 177.642 175.378 2.264 25483 7622 1 16 . 1 1 19 19 CYS CA C 19 64.471 64.471 58.762 5.709 25483 7623 1 16 . 1 1 19 19 CYS CB C 19 31.017 31.017 26.548 4.469 25483 7624 1 16 . 1 1 19 19 CYS H H 19 7.833 7.833 8.680 -0.847 25483 7625 1 16 . 1 1 20 20 ALA N N 20 121.738 121.738 123.105 -1.367 25483 7626 1 16 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.105 0.045 25483 7627 1 16 . 1 1 20 20 ALA C C 20 180.531 180.531 179.229 1.302 25483 7628 1 16 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.092 1.492 25483 7629 1 16 . 1 1 20 20 ALA CB C 20 18.029 18.029 19.408 -1.379 25483 7630 1 16 . 1 1 20 20 ALA H H 20 7.080 7.080 8.382 -1.302 25483 7631 1 16 . 1 1 21 21 ARG N N 21 119.812 119.812 120.223 -0.411 25483 7632 1 16 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.215 0.027 25483 7633 1 16 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.407 -1.482 25483 7634 1 16 . 1 1 21 21 ARG CB C 21 29.868 29.868 28.994 0.874 25483 7635 1 16 . 1 1 21 21 ARG H H 21 8.039 8.039 8.433 -0.394 25483 7636 1 16 . 1 1 22 22 ALA N N 22 124.459 124.459 121.507 2.952 25483 7637 1 16 . 1 1 22 22 ALA HA H 22 4.140 4.140 4.178 -0.038 25483 7638 1 16 . 1 1 22 22 ALA C C 22 178.267 178.267 179.825 -1.558 25483 7639 1 16 . 1 1 22 22 ALA CA C 22 55.671 55.671 55.186 0.485 25483 7640 1 16 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.071 1.154 25483 7641 1 16 . 1 1 22 22 ALA H H 22 7.768 7.768 8.513 -0.745 25483 7642 1 16 . 1 1 23 23 LYS N N 23 116.014 116.014 118.345 -2.331 25483 7643 1 16 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.555 -0.254 25483 7644 1 16 . 1 1 23 23 LYS C C 23 177.995 177.995 178.787 -0.792 25483 7645 1 16 . 1 1 23 23 LYS CA C 23 60.722 60.722 58.305 2.417 25483 7646 1 16 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.977 -0.327 25483 7647 1 16 . 1 1 23 23 LYS H H 23 7.984 7.984 7.527 0.457 25483 7648 1 16 . 1 1 24 24 ALA N N 24 120.042 120.042 122.428 -2.386 25483 7649 1 16 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.038 0.172 25483 7650 1 16 . 1 1 24 24 ALA C C 24 180.610 180.610 179.812 0.798 25483 7651 1 16 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.943 -0.078 25483 7652 1 16 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.268 -0.332 25483 7653 1 16 . 1 1 24 24 ALA H H 24 8.040 8.040 8.055 -0.015 25483 7654 1 16 . 1 1 25 25 LEU N N 25 119.514 119.514 119.501 0.013 25483 7655 1 16 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.848 0.304 25483 7656 1 16 . 1 1 25 25 LEU C C 25 177.834 177.834 178.658 -0.824 25483 7657 1 16 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.902 -0.214 25483 7658 1 16 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.863 -1.128 25483 7659 1 16 . 1 1 25 25 LEU H H 25 7.150 7.150 8.030 -0.880 25483 7660 1 16 . 1 1 26 26 LEU N N 26 117.253 117.253 115.951 1.302 25483 7661 1 16 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.911 -0.158 25483 7662 1 16 . 1 1 26 26 LEU C C 26 178.553 178.553 178.666 -0.113 25483 7663 1 16 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.375 1.100 25483 7664 1 16 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.138 -0.074 25483 7665 1 16 . 1 1 26 26 LEU H H 26 7.576 7.576 7.812 -0.236 25483 7666 1 16 . 1 1 27 27 ALA N N 27 119.606 119.606 118.132 1.474 25483 7667 1 16 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.312 0.029 25483 7668 1 16 . 1 1 27 27 ALA C C 27 182.219 182.219 178.230 3.989 25483 7669 1 16 . 1 1 27 27 ALA CA C 27 55.326 55.326 53.448 1.878 25483 7670 1 16 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.795 -0.687 25483 7671 1 16 . 1 1 27 27 ALA H H 27 8.629 8.629 7.561 1.068 25483 7672 1 16 . 1 1 28 28 ARG N N 28 121.081 121.081 119.110 1.971 25483 7673 1 16 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.199 -0.034 25483 7674 1 16 . 1 1 28 28 ARG C C 28 178.659 178.659 177.841 0.818 25483 7675 1 16 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.141 1.040 25483 7676 1 16 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.864 -0.944 25483 7677 1 16 . 1 1 28 28 ARG H H 28 7.992 7.992 7.786 0.206 25483 7678 1 16 . 1 1 29 29 LYS N N 29 115.790 115.790 117.033 -1.243 25483 7679 1 16 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.402 -0.168 25483 7680 1 16 . 1 1 29 29 LYS C C 29 176.666 176.666 176.603 0.063 25483 7681 1 16 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.586 -0.641 25483 7682 1 16 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.409 -0.968 25483 7683 1 16 . 1 1 29 29 LYS H H 29 7.663 7.663 7.695 -0.032 25483 7684 1 16 . 1 1 30 30 GLY N N 30 107.767 107.767 108.444 -0.677 25483 7685 1 16 . 1 1 30 30 GLY C C 30 174.014 174.014 174.729 -0.715 25483 7686 1 16 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.797 -0.392 25483 7687 1 16 . 1 1 30 30 GLY H H 30 7.930 7.930 8.264 -0.334 25483 7688 1 16 . 1 1 31 31 ALA N N 31 122.192 122.192 121.098 1.094 25483 7689 1 16 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.312 0.191 25483 7690 1 16 . 1 1 31 31 ALA C C 31 176.691 176.691 177.105 -0.414 25483 7691 1 16 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.364 -0.733 25483 7692 1 16 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.247 -0.309 25483 7693 1 16 . 1 1 31 31 ALA H H 31 7.844 7.844 7.579 0.265 25483 7694 1 16 . 1 1 32 32 GLU N N 32 123.903 123.903 120.517 3.386 25483 7695 1 16 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.291 -0.056 25483 7696 1 16 . 1 1 32 32 GLU C C 32 176.080 176.080 175.438 0.642 25483 7697 1 16 . 1 1 32 32 GLU CA C 32 55.735 55.735 56.654 -0.919 25483 7698 1 16 . 1 1 32 32 GLU CB C 32 29.777 29.777 30.793 -1.016 25483 7699 1 16 . 1 1 32 32 GLU H H 32 8.337 8.337 8.428 -0.091 25483 7700 1 16 . 1 1 33 33 PHE N N 33 116.634 116.634 114.001 2.633 25483 7701 1 16 . 1 1 33 33 PHE HA H 33 5.232 5.232 4.994 0.238 25483 7702 1 16 . 1 1 33 33 PHE C C 33 173.397 173.397 173.526 -0.129 25483 7703 1 16 . 1 1 33 33 PHE CA C 33 55.221 55.221 56.718 -1.497 25483 7704 1 16 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.260 0.248 25483 7705 1 16 . 1 1 33 33 PHE H H 33 7.640 7.640 7.496 0.144 25483 7706 1 16 . 1 1 34 34 ASN N N 34 120.133 120.133 119.744 0.389 25483 7707 1 16 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.891 0.080 25483 7708 1 16 . 1 1 34 34 ASN C C 34 173.199 173.199 174.149 -0.950 25483 7709 1 16 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.130 0.050 25483 7710 1 16 . 1 1 34 34 ASN CB C 34 39.840 39.840 40.938 -1.098 25483 7711 1 16 . 1 1 34 34 ASN H H 34 8.921 8.921 8.429 0.492 25483 7712 1 16 . 1 1 35 35 GLU N N 35 126.204 126.204 123.874 2.330 25483 7713 1 16 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.942 0.236 25483 7714 1 16 . 1 1 35 35 GLU C C 35 175.185 175.185 175.850 -0.665 25483 7715 1 16 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.241 -1.690 25483 7716 1 16 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.070 0.367 25483 7717 1 16 . 1 1 35 35 GLU H H 35 8.758 8.758 8.668 0.090 25483 7718 1 16 . 1 1 36 36 ILE N N 36 130.012 130.012 120.836 9.176 25483 7719 1 16 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.123 0.038 25483 7720 1 16 . 1 1 36 36 ILE C C 36 174.987 174.987 174.403 0.584 25483 7721 1 16 . 1 1 36 36 ILE CA C 36 60.183 60.183 60.007 0.176 25483 7722 1 16 . 1 1 36 36 ILE CB C 36 40.273 40.273 40.781 -0.508 25483 7723 1 16 . 1 1 36 36 ILE H H 36 9.080 9.080 7.970 1.110 25483 7724 1 16 . 1 1 37 37 ASP N N 37 125.921 125.921 129.077 -3.156 25483 7725 1 16 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.629 0.373 25483 7726 1 16 . 1 1 37 37 ASP C C 37 176.847 176.847 175.620 1.227 25483 7727 1 16 . 1 1 37 37 ASP CA C 37 52.878 52.878 53.456 -0.578 25483 7728 1 16 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.523 -1.233 25483 7729 1 16 . 1 1 37 37 ASP H H 37 8.515 8.515 8.562 -0.047 25483 7730 1 16 . 1 1 38 38 ALA N N 38 130.525 130.525 127.389 3.136 25483 7731 1 16 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.431 0.227 25483 7732 1 16 . 1 1 38 38 ALA C C 38 175.507 175.507 177.755 -2.248 25483 7733 1 16 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.810 0.110 25483 7734 1 16 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.214 0.398 25483 7735 1 16 . 1 1 38 38 ALA H H 38 8.845 8.845 7.722 1.123 25483 7736 1 16 . 1 1 39 39 SER N N 39 111.653 111.653 111.918 -0.265 25483 7737 1 16 . 1 1 39 39 SER HA H 39 4.425 4.425 4.170 0.255 25483 7738 1 16 . 1 1 39 39 SER C C 39 176.988 176.988 174.391 2.597 25483 7739 1 16 . 1 1 39 39 SER CA C 39 59.504 59.504 59.127 0.377 25483 7740 1 16 . 1 1 39 39 SER CB C 39 64.768 64.768 62.642 2.126 25483 7741 1 16 . 1 1 39 39 SER H H 39 8.727 8.727 8.890 -0.163 25483 7742 1 16 . 1 1 40 40 ALA N N 40 124.164 124.164 121.790 2.374 25483 7743 1 16 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.517 -0.288 25483 7744 1 16 . 1 1 40 40 ALA C C 40 178.039 178.039 176.956 1.083 25483 7745 1 16 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.854 1.993 25483 7746 1 16 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.151 0.228 25483 7747 1 16 . 1 1 40 40 ALA H H 40 7.543 7.543 8.359 -0.816 25483 7748 1 16 . 1 1 41 41 THR N N 41 106.060 106.060 113.672 -7.612 25483 7749 1 16 . 1 1 41 41 THR HA H 41 5.006 5.006 4.833 0.173 25483 7750 1 16 . 1 1 41 41 THR C C 41 173.200 173.200 173.038 0.162 25483 7751 1 16 . 1 1 41 41 THR CA C 41 57.856 57.856 58.717 -0.861 25483 7752 1 16 . 1 1 41 41 THR CB C 41 70.541 70.541 70.565 -0.024 25483 7753 1 16 . 1 1 41 41 THR H H 41 7.162 7.162 7.637 -0.475 25483 7754 1 16 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.477 -0.152 25483 7755 1 16 . 1 1 42 42 PRO C C 42 179.534 179.534 177.803 1.731 25483 7756 1 16 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.518 0.289 25483 7757 1 16 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.023 -0.282 25483 7758 1 16 . 1 1 43 43 GLU N N 43 118.723 118.723 119.710 -0.987 25483 7759 1 16 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.128 -0.020 25483 7760 1 16 . 1 1 43 43 GLU C C 43 179.692 179.692 178.519 1.173 25483 7761 1 16 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.243 1.478 25483 7762 1 16 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.697 -1.146 25483 7763 1 16 . 1 1 43 43 GLU H H 43 9.124 9.124 8.077 1.047 25483 7764 1 16 . 1 1 44 44 LEU N N 44 121.970 121.970 118.931 3.039 25483 7765 1 16 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.134 0.206 25483 7766 1 16 . 1 1 44 44 LEU C C 44 178.924 178.924 179.010 -0.086 25483 7767 1 16 . 1 1 44 44 LEU CA C 44 57.472 57.472 57.769 -0.297 25483 7768 1 16 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.912 0.520 25483 7769 1 16 . 1 1 44 44 LEU H H 44 7.838 7.838 7.702 0.136 25483 7770 1 16 . 1 1 45 45 ARG N N 45 122.130 122.130 117.924 4.206 25483 7771 1 16 . 1 1 45 45 ARG HA H 45 4.093 4.093 4.013 0.080 25483 7772 1 16 . 1 1 45 45 ARG C C 45 178.955 178.955 178.485 0.470 25483 7773 1 16 . 1 1 45 45 ARG CA C 45 60.124 60.124 58.964 1.160 25483 7774 1 16 . 1 1 45 45 ARG CB C 45 30.147 30.147 29.380 0.767 25483 7775 1 16 . 1 1 45 45 ARG H H 45 7.762 7.762 7.815 -0.053 25483 7776 1 16 . 1 1 46 46 ALA N N 46 121.165 121.165 121.437 -0.272 25483 7777 1 16 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.197 -0.061 25483 7778 1 16 . 1 1 46 46 ALA C C 46 179.912 179.912 179.566 0.346 25483 7779 1 16 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.675 0.271 25483 7780 1 16 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.137 -0.425 25483 7781 1 16 . 1 1 46 46 ALA H H 46 8.160 8.160 7.688 0.472 25483 7782 1 16 . 1 1 47 47 GLU N N 47 120.906 120.906 118.901 2.005 25483 7783 1 16 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.138 -0.085 25483 7784 1 16 . 1 1 47 47 GLU C C 47 178.039 178.039 179.098 -1.059 25483 7785 1 16 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.171 0.329 25483 7786 1 16 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.740 0.071 25483 7787 1 16 . 1 1 47 47 GLU H H 47 7.918 7.918 7.816 0.102 25483 7788 1 16 . 1 1 48 48 MET N N 48 118.645 118.645 117.007 1.638 25483 7789 1 16 . 1 1 48 48 MET HA H 48 2.897 2.897 4.097 -1.200 25483 7790 1 16 . 1 1 48 48 MET C C 48 180.282 180.282 177.907 2.375 25483 7791 1 16 . 1 1 48 48 MET CA C 48 59.540 59.540 58.157 1.383 25483 7792 1 16 . 1 1 48 48 MET CB C 48 33.502 33.502 32.311 1.191 25483 7793 1 16 . 1 1 48 48 MET H H 48 8.047 8.047 8.000 0.047 25483 7794 1 16 . 1 1 49 49 GLN N N 49 122.104 122.104 119.158 2.946 25483 7795 1 16 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.006 0.333 25483 7796 1 16 . 1 1 49 49 GLN C C 49 178.780 178.780 179.074 -0.294 25483 7797 1 16 . 1 1 49 49 GLN CA C 49 58.744 58.744 59.016 -0.272 25483 7798 1 16 . 1 1 49 49 GLN CB C 49 28.238 28.238 27.952 0.286 25483 7799 1 16 . 1 1 49 49 GLN H H 49 8.237 8.237 7.677 0.560 25483 7800 1 16 . 1 1 50 50 GLU N N 50 121.947 121.947 119.412 2.535 25483 7801 1 16 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.084 -0.115 25483 7802 1 16 . 1 1 50 50 GLU C C 50 178.863 178.863 177.595 1.268 25483 7803 1 16 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.379 0.752 25483 7804 1 16 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.237 0.482 25483 7805 1 16 . 1 1 50 50 GLU H H 50 8.659 8.659 8.098 0.561 25483 7806 1 16 . 1 1 51 51 ARG N N 51 115.832 115.832 117.968 -2.136 25483 7807 1 16 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.441 -0.381 25483 7808 1 16 . 1 1 51 51 ARG C C 51 177.748 177.748 176.254 1.494 25483 7809 1 16 . 1 1 51 51 ARG CA C 51 58.480 58.480 54.708 3.772 25483 7810 1 16 . 1 1 51 51 ARG CB C 51 31.158 31.158 29.321 1.837 25483 7811 1 16 . 1 1 51 51 ARG H H 51 8.231 8.231 7.541 0.690 25483 7812 1 16 . 1 1 52 52 SER N N 52 109.790 109.790 115.664 -5.874 25483 7813 1 16 . 1 1 52 52 SER HA H 52 3.759 3.759 4.271 -0.512 25483 7814 1 16 . 1 1 52 52 SER C C 52 174.149 174.149 175.342 -1.193 25483 7815 1 16 . 1 1 52 52 SER CA C 52 58.883 58.883 59.260 -0.377 25483 7816 1 16 . 1 1 52 52 SER CB C 52 66.744 66.744 64.018 2.726 25483 7817 1 16 . 1 1 52 52 SER H H 52 8.032 8.032 7.482 0.550 25483 7818 1 16 . 1 1 53 53 GLY N N 53 112.524 112.524 109.064 3.460 25483 7819 1 16 . 1 1 53 53 GLY C C 53 173.690 173.690 173.124 0.566 25483 7820 1 16 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.294 1.799 25483 7821 1 16 . 1 1 53 53 GLY H H 53 8.239 8.239 8.462 -0.223 25483 7822 1 16 . 1 1 54 54 ARG N N 54 119.453 119.453 120.944 -1.491 25483 7823 1 16 . 1 1 54 54 ARG HA H 54 4.653 4.653 3.935 0.718 25483 7824 1 16 . 1 1 54 54 ARG C C 54 174.144 174.144 175.295 -1.151 25483 7825 1 16 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.059 -1.399 25483 7826 1 16 . 1 1 54 54 ARG CB C 54 35.255 35.255 29.171 6.084 25483 7827 1 16 . 1 1 54 54 ARG H H 54 8.309 8.309 8.468 -0.159 25483 7828 1 16 . 1 1 55 55 ASN N N 55 112.521 112.521 119.235 -6.714 25483 7829 1 16 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.690 0.003 25483 7830 1 16 . 1 1 55 55 ASN C C 55 175.197 175.197 174.859 0.338 25483 7831 1 16 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.513 -0.832 25483 7832 1 16 . 1 1 55 55 ASN CB C 55 39.468 39.468 38.076 1.392 25483 7833 1 16 . 1 1 55 55 ASN H H 55 8.154 8.154 8.403 -0.249 25483 7834 1 16 . 1 1 56 56 THR N N 56 107.919 107.919 113.874 -5.955 25483 7835 1 16 . 1 1 56 56 THR HA H 56 4.356 4.356 4.329 0.027 25483 7836 1 16 . 1 1 56 56 THR C C 56 172.477 172.477 173.898 -1.421 25483 7837 1 16 . 1 1 56 56 THR CA C 56 59.438 59.438 63.105 -3.667 25483 7838 1 16 . 1 1 56 56 THR CB C 56 70.636 70.636 69.494 1.142 25483 7839 1 16 . 1 1 56 56 THR H H 56 6.778 6.778 7.371 -0.593 25483 7840 1 16 . 1 1 57 57 PHE N N 57 117.789 117.789 116.815 0.974 25483 7841 1 16 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.074 -0.349 25483 7842 1 16 . 1 1 57 57 PHE C C 57 174.241 174.241 172.848 1.393 25483 7843 1 16 . 1 1 57 57 PHE CA C 57 55.088 55.088 52.671 2.417 25483 7844 1 16 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.516 4.990 25483 7845 1 16 . 1 1 57 57 PHE H H 57 8.469 8.469 6.952 1.517 25483 7846 1 16 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.607 1.006 25483 7847 1 16 . 1 1 58 58 PRO C C 58 177.062 177.062 176.049 1.013 25483 7848 1 16 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.721 0.461 25483 7849 1 16 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.113 3.348 25483 7850 1 16 . 1 1 59 59 GLN N N 59 112.113 112.113 117.108 -4.995 25483 7851 1 16 . 1 1 59 59 GLN HA H 59 4.820 4.820 5.059 -0.239 25483 7852 1 16 . 1 1 59 59 GLN C C 59 175.655 175.655 175.758 -0.103 25483 7853 1 16 . 1 1 59 59 GLN CA C 59 55.168 55.168 53.786 1.382 25483 7854 1 16 . 1 1 59 59 GLN CB C 59 31.479 31.479 30.253 1.226 25483 7855 1 16 . 1 1 59 59 GLN H H 59 8.041 8.041 8.244 -0.203 25483 7856 1 16 . 1 1 60 60 ILE N N 60 123.134 123.134 125.181 -2.047 25483 7857 1 16 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.715 0.243 25483 7858 1 16 . 1 1 60 60 ILE C C 60 174.350 174.350 174.949 -0.599 25483 7859 1 16 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.429 1.745 25483 7860 1 16 . 1 1 60 60 ILE CB C 60 40.828 40.828 37.287 3.541 25483 7861 1 16 . 1 1 60 60 ILE H H 60 8.940 8.940 8.039 0.901 25483 7862 1 16 . 1 1 61 61 PHE N N 61 128.163 128.163 128.714 -0.551 25483 7863 1 16 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.908 0.485 25483 7864 1 16 . 1 1 61 61 PHE C C 61 174.659 174.659 175.042 -0.383 25483 7865 1 16 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.370 0.276 25483 7866 1 16 . 1 1 61 61 PHE CB C 61 41.735 41.735 41.430 0.305 25483 7867 1 16 . 1 1 61 61 PHE H H 61 9.645 9.645 9.138 0.507 25483 7868 1 16 . 1 1 62 62 ILE N N 62 122.592 122.592 122.070 0.522 25483 7869 1 16 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.588 0.042 25483 7870 1 16 . 1 1 62 62 ILE C C 62 175.360 175.360 175.425 -0.065 25483 7871 1 16 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.819 1.189 25483 7872 1 16 . 1 1 62 62 ILE CB C 62 39.569 39.569 37.342 2.227 25483 7873 1 16 . 1 1 62 62 ILE H H 62 9.066 9.066 7.776 1.290 25483 7874 1 16 . 1 1 63 63 GLY N N 63 116.263 116.263 118.102 -1.839 25483 7875 1 16 . 1 1 63 63 GLY C C 63 175.630 175.630 174.706 0.924 25483 7876 1 16 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.487 0.766 25483 7877 1 16 . 1 1 63 63 GLY H H 63 9.307 9.307 8.258 1.049 25483 7878 1 16 . 1 1 64 64 SER N N 64 122.053 122.053 119.606 2.447 25483 7879 1 16 . 1 1 64 64 SER HA H 64 4.566 4.566 4.643 -0.077 25483 7880 1 16 . 1 1 64 64 SER C C 64 173.891 173.891 172.742 1.149 25483 7881 1 16 . 1 1 64 64 SER CA C 64 59.071 59.071 57.804 1.267 25483 7882 1 16 . 1 1 64 64 SER CB C 64 63.895 63.895 64.324 -0.429 25483 7883 1 16 . 1 1 64 64 SER H H 64 9.236 9.236 8.187 1.049 25483 7884 1 16 . 1 1 65 65 VAL N N 65 124.553 124.553 120.457 4.096 25483 7885 1 16 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.186 -0.109 25483 7886 1 16 . 1 1 65 65 VAL C C 65 175.294 175.294 173.786 1.508 25483 7887 1 16 . 1 1 65 65 VAL CA C 65 62.735 62.735 60.812 1.923 25483 7888 1 16 . 1 1 65 65 VAL CB C 65 33.078 33.078 35.508 -2.430 25483 7889 1 16 . 1 1 65 65 VAL H H 65 8.494 8.494 7.024 1.470 25483 7890 1 16 . 1 1 66 66 HIS N N 66 102.561 102.561 123.973 -21.412 25483 7891 1 16 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.550 -0.188 25483 7892 1 16 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.651 -1.038 25483 7893 1 16 . 1 1 66 66 HIS CB C 66 30.941 30.941 31.238 -0.297 25483 7894 1 16 . 1 1 66 66 HIS H H 66 8.966 8.966 8.441 0.525 25483 7895 1 16 . 1 1 67 67 VAL N N 67 130.151 130.151 123.842 6.309 25483 7896 1 16 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.393 -0.963 25483 7897 1 16 . 1 1 67 67 VAL C C 67 174.677 174.677 176.003 -1.326 25483 7898 1 16 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.859 3.170 25483 7899 1 16 . 1 1 67 67 VAL CB C 67 32.426 32.426 35.300 -2.874 25483 7900 1 16 . 1 1 67 67 VAL H H 67 8.214 8.214 7.648 0.566 25483 7901 1 16 . 1 1 68 68 GLY N N 68 102.768 102.768 112.542 -9.774 25483 7902 1 16 . 1 1 68 68 GLY C C 68 173.023 173.023 174.201 -1.178 25483 7903 1 16 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.294 -3.514 25483 7904 1 16 . 1 1 68 68 GLY H H 68 6.436 6.436 9.148 -2.712 25483 7905 1 16 . 1 1 69 69 GLY N N 69 110.061 110.061 105.663 4.398 25483 7906 1 16 . 1 1 69 69 GLY C C 69 175.375 175.375 173.990 1.385 25483 7907 1 16 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.507 -0.584 25483 7908 1 16 . 1 1 69 69 GLY H H 69 9.004 9.004 7.144 1.860 25483 7909 1 16 . 1 1 70 70 SER N N 70 113.592 113.592 116.345 -2.753 25483 7910 1 16 . 1 1 70 70 SER HA H 70 3.894 3.894 3.991 -0.097 25483 7911 1 16 . 1 1 70 70 SER CA C 70 62.816 62.816 61.608 1.208 25483 7912 1 16 . 1 1 70 70 SER H H 70 8.088 8.088 8.660 -0.572 25483 7913 1 16 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.065 0.339 25483 7914 1 16 . 1 1 71 71 ASP C C 71 179.115 179.115 178.024 1.091 25483 7915 1 16 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.351 0.259 25483 7916 1 16 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.457 -1.132 25483 7917 1 16 . 1 1 72 72 ASP N N 72 119.325 119.325 119.366 -0.041 25483 7918 1 16 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.520 -0.174 25483 7919 1 16 . 1 1 72 72 ASP C C 72 177.816 177.816 178.443 -0.627 25483 7920 1 16 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.163 1.050 25483 7921 1 16 . 1 1 72 72 ASP CB C 72 41.409 41.409 41.095 0.314 25483 7922 1 16 . 1 1 72 72 ASP H H 72 7.232 7.232 7.424 -0.192 25483 7923 1 16 . 1 1 73 73 LEU N N 73 121.336 121.336 121.131 0.205 25483 7924 1 16 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.952 -0.179 25483 7925 1 16 . 1 1 73 73 LEU C C 73 177.957 177.957 178.686 -0.729 25483 7926 1 16 . 1 1 73 73 LEU CA C 73 58.354 58.354 57.904 0.450 25483 7927 1 16 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.976 0.200 25483 7928 1 16 . 1 1 73 73 LEU H H 73 7.789 7.789 8.354 -0.565 25483 7929 1 16 . 1 1 74 74 TYR N N 74 116.570 116.570 118.301 -1.731 25483 7930 1 16 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.203 -0.454 25483 7931 1 16 . 1 1 74 74 TYR C C 74 178.275 178.275 177.805 0.470 25483 7932 1 16 . 1 1 74 74 TYR CA C 74 62.698 62.698 60.391 2.307 25483 7933 1 16 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.465 0.046 25483 7934 1 16 . 1 1 74 74 TYR H H 74 8.318 8.318 8.210 0.108 25483 7935 1 16 . 1 1 75 75 ALA N N 75 122.593 122.593 122.626 -0.033 25483 7936 1 16 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.976 0.279 25483 7937 1 16 . 1 1 75 75 ALA C C 75 180.162 180.162 179.344 0.818 25483 7938 1 16 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.222 0.381 25483 7939 1 16 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.228 -0.599 25483 7940 1 16 . 1 1 75 75 ALA H H 75 8.082 8.082 7.357 0.725 25483 7941 1 16 . 1 1 76 76 LEU N N 76 116.647 116.647 118.313 -1.666 25483 7942 1 16 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.855 0.200 25483 7943 1 16 . 1 1 76 76 LEU C C 76 179.538 179.538 179.561 -0.023 25483 7944 1 16 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.896 -0.040 25483 7945 1 16 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.349 1.328 25483 7946 1 16 . 1 1 76 76 LEU H H 76 7.389 7.389 8.030 -0.641 25483 7947 1 16 . 1 1 77 77 GLU N N 77 121.342 121.342 118.312 3.030 25483 7948 1 16 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.980 0.617 25483 7949 1 16 . 1 1 77 77 GLU C C 77 179.674 179.674 178.635 1.039 25483 7950 1 16 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.366 -1.335 25483 7951 1 16 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.040 -0.923 25483 7952 1 16 . 1 1 77 77 GLU H H 77 7.461 7.461 7.939 -0.478 25483 7953 1 16 . 1 1 78 78 ASP N N 78 123.339 123.339 118.789 4.550 25483 7954 1 16 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.493 -0.042 25483 7955 1 16 . 1 1 78 78 ASP C C 78 178.412 178.412 178.044 0.368 25483 7956 1 16 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.460 1.010 25483 7957 1 16 . 1 1 78 78 ASP CB C 78 40.544 40.544 41.009 -0.465 25483 7958 1 16 . 1 1 78 78 ASP H H 78 8.650 8.650 7.665 0.985 25483 7959 1 16 . 1 1 79 79 GLU N N 79 115.360 115.360 117.679 -2.319 25483 7960 1 16 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.236 0.096 25483 7961 1 16 . 1 1 79 79 GLU C C 79 176.861 176.861 177.969 -1.108 25483 7962 1 16 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.171 -0.856 25483 7963 1 16 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.347 0.354 25483 7964 1 16 . 1 1 79 79 GLU H H 79 7.791 7.791 7.895 -0.104 25483 7965 1 16 . 1 1 80 80 GLY N N 80 108.851 108.851 107.179 1.672 25483 7966 1 16 . 1 1 80 80 GLY C C 80 176.085 176.085 174.234 1.851 25483 7967 1 16 . 1 1 80 80 GLY CA C 80 46.241 46.241 44.825 1.416 25483 7968 1 16 . 1 1 80 80 GLY H H 80 8.078 8.078 8.416 -0.338 25483 7969 1 16 . 1 1 81 81 LYS N N 81 116.858 116.858 119.609 -2.751 25483 7970 1 16 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.632 -0.187 25483 7971 1 16 . 1 1 81 81 LYS C C 81 176.789 176.789 176.261 0.528 25483 7972 1 16 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.194 1.374 25483 7973 1 16 . 1 1 81 81 LYS CB C 81 36.004 36.004 32.828 3.175 25483 7974 1 16 . 1 1 81 81 LYS H H 81 8.216 8.216 8.327 -0.111 25483 7975 1 16 . 1 1 82 82 LEU N N 82 122.543 122.543 116.919 5.624 25483 7976 1 16 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.321 -0.280 25483 7977 1 16 . 1 1 82 82 LEU C C 82 177.466 177.466 177.762 -0.296 25483 7978 1 16 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.310 0.187 25483 7979 1 16 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.733 -1.244 25483 7980 1 16 . 1 1 82 82 LEU H H 82 7.516 7.516 7.800 -0.284 25483 7981 1 16 . 1 1 83 83 ASP N N 83 119.643 119.643 122.033 -2.390 25483 7982 1 16 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.287 0.019 25483 7983 1 16 . 1 1 83 83 ASP C C 83 178.744 178.744 178.525 0.219 25483 7984 1 16 . 1 1 83 83 ASP CA C 83 58.738 58.738 58.171 0.567 25483 7985 1 16 . 1 1 83 83 ASP CB C 83 39.954 39.954 39.787 0.167 25483 7986 1 16 . 1 1 83 83 ASP H H 83 8.662 8.662 8.535 0.127 25483 7987 1 16 . 1 1 84 84 SER N N 84 113.208 113.208 114.393 -1.185 25483 7988 1 16 . 1 1 84 84 SER HA H 84 4.266 4.266 4.243 0.023 25483 7989 1 16 . 1 1 84 84 SER C C 84 177.581 177.581 176.131 1.450 25483 7990 1 16 . 1 1 84 84 SER CA C 84 61.483 61.483 61.572 -0.089 25483 7991 1 16 . 1 1 84 84 SER CB C 84 62.667 62.667 63.072 -0.405 25483 7992 1 16 . 1 1 84 84 SER H H 84 8.425 8.425 8.383 0.042 25483 7993 1 16 . 1 1 85 85 LEU N N 85 126.393 126.393 122.404 3.989 25483 7994 1 16 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.094 0.261 25483 7995 1 16 . 1 1 85 85 LEU C C 85 178.692 178.692 177.466 1.226 25483 7996 1 16 . 1 1 85 85 LEU CA C 85 58.409 58.409 57.897 0.513 25483 7997 1 16 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.137 -0.622 25483 7998 1 16 . 1 1 85 85 LEU H H 85 7.577 7.577 7.386 0.191 25483 7999 1 16 . 1 1 86 86 LEU N N 86 117.833 117.833 113.222 4.611 25483 8000 1 16 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.409 -0.526 25483 8001 1 16 . 1 1 86 86 LEU C C 86 177.470 177.470 178.386 -0.916 25483 8002 1 16 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.508 1.273 25483 8003 1 16 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.623 0.179 25483 8004 1 16 . 1 1 86 86 LEU H H 86 8.406 8.406 8.307 0.099 25483 8005 1 16 . 1 1 87 87 LYS N N 87 113.997 113.997 117.719 -3.722 25483 8006 1 16 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.271 0.118 25483 8007 1 16 . 1 1 87 87 LYS C C 87 178.282 178.282 177.305 0.977 25483 8008 1 16 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.108 0.226 25483 8009 1 16 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.743 0.170 25483 8010 1 16 . 1 1 87 87 LYS H H 87 7.548 7.548 8.007 -0.459 25483 8011 1 16 . 1 1 88 88 THR N N 88 106.050 106.050 106.500 -0.450 25483 8012 1 16 . 1 1 88 88 THR HA H 88 4.545 4.545 4.524 0.021 25483 8013 1 16 . 1 1 88 88 THR C C 88 176.566 176.566 173.900 2.666 25483 8014 1 16 . 1 1 88 88 THR CA C 88 62.396 62.396 62.299 0.097 25483 8015 1 16 . 1 1 88 88 THR CB C 88 72.438 72.438 71.412 1.026 25483 8016 1 16 . 1 1 88 88 THR H H 88 8.178 8.178 7.987 0.191 25483 8017 1 16 . 1 1 89 89 GLY N N 89 112.811 112.811 112.280 0.531 25483 8018 1 16 . 1 1 89 89 GLY C C 89 171.985 171.985 173.272 -1.287 25483 8019 1 16 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.159 1.657 25483 8020 1 16 . 1 1 89 89 GLY H H 89 9.153 9.153 8.440 0.713 25483 8021 1 16 . 1 1 90 90 LYS N N 90 117.650 117.650 120.084 -2.434 25483 8022 1 16 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.581 -0.071 25483 8023 1 16 . 1 1 90 90 LYS C C 90 174.330 174.330 176.713 -2.383 25483 8024 1 16 . 1 1 90 90 LYS CA C 90 54.609 54.609 55.197 -0.588 25483 8025 1 16 . 1 1 90 90 LYS CB C 90 35.701 35.701 33.738 1.963 25483 8026 1 16 . 1 1 90 90 LYS H H 90 7.940 7.940 7.374 0.566 25483 8027 1 16 . 1 1 91 91 LEU N N 91 123.149 123.149 123.210 -0.061 25483 8028 1 16 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.367 0.102 25483 8029 1 16 . 1 1 91 91 LEU C C 91 175.848 175.848 177.575 -1.727 25483 8030 1 16 . 1 1 91 91 LEU CA C 91 54.600 54.600 56.512 -1.912 25483 8031 1 16 . 1 1 91 91 LEU CB C 91 43.011 43.011 41.696 1.315 25483 8032 1 16 . 1 1 91 91 LEU H H 91 8.501 8.501 8.421 0.080 25483 8033 1 17 . 1 1 3 3 GLY N N 3 110.312 110.312 109.031 1.281 25483 8034 1 17 . 1 1 3 3 GLY C C 3 174.169 174.169 173.515 0.654 25483 8035 1 17 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.351 1.124 25483 8036 1 17 . 1 1 3 3 GLY H H 3 8.679 8.679 8.211 0.468 25483 8037 1 17 . 1 1 4 4 SER N N 4 115.617 115.617 114.524 1.093 25483 8038 1 17 . 1 1 4 4 SER HA H 4 4.499 4.499 4.845 -0.345 25483 8039 1 17 . 1 1 4 4 SER C C 4 174.408 174.408 173.380 1.028 25483 8040 1 17 . 1 1 4 4 SER CA C 4 58.541 58.541 57.570 0.971 25483 8041 1 17 . 1 1 4 4 SER CB C 4 63.920 63.920 63.789 0.131 25483 8042 1 17 . 1 1 4 4 SER H H 4 8.237 8.237 8.262 -0.025 25483 8043 1 17 . 1 1 5 5 MET N N 5 121.390 121.390 120.507 0.883 25483 8044 1 17 . 1 1 5 5 MET HA H 5 4.702 4.702 4.769 -0.067 25483 8045 1 17 . 1 1 5 5 MET C C 5 176.122 176.122 174.456 1.666 25483 8046 1 17 . 1 1 5 5 MET CA C 5 55.600 55.600 54.864 0.736 25483 8047 1 17 . 1 1 5 5 MET CB C 5 34.357 34.357 34.033 0.324 25483 8048 1 17 . 1 1 5 5 MET H H 5 8.309 8.309 8.206 0.103 25483 8049 1 17 . 1 1 6 6 VAL N N 6 117.990 117.990 118.494 -0.504 25483 8050 1 17 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.379 -0.178 25483 8051 1 17 . 1 1 6 6 VAL C C 6 174.450 174.450 174.565 -0.115 25483 8052 1 17 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.435 -0.017 25483 8053 1 17 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.279 0.306 25483 8054 1 17 . 1 1 6 6 VAL H H 6 8.175 8.175 8.272 -0.097 25483 8055 1 17 . 1 1 7 7 ASP N N 7 121.785 121.785 119.379 2.406 25483 8056 1 17 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.826 -0.258 25483 8057 1 17 . 1 1 7 7 ASP C C 7 175.866 175.866 174.618 1.248 25483 8058 1 17 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.661 1.507 25483 8059 1 17 . 1 1 7 7 ASP CB C 7 41.599 41.599 44.589 -2.990 25483 8060 1 17 . 1 1 7 7 ASP H H 7 8.332 8.332 8.296 0.036 25483 8061 1 17 . 1 1 8 8 VAL N N 8 124.023 124.023 121.873 2.150 25483 8062 1 17 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.967 0.031 25483 8063 1 17 . 1 1 8 8 VAL C C 8 174.859 174.859 175.820 -0.961 25483 8064 1 17 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.602 -1.141 25483 8065 1 17 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.661 0.660 25483 8066 1 17 . 1 1 8 8 VAL H H 8 8.658 8.658 8.598 0.060 25483 8067 1 17 . 1 1 9 9 ILE N N 9 129.744 129.744 127.596 2.148 25483 8068 1 17 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.533 0.478 25483 8069 1 17 . 1 1 9 9 ILE C C 9 174.323 174.323 173.980 0.343 25483 8070 1 17 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.406 -0.709 25483 8071 1 17 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.483 -1.204 25483 8072 1 17 . 1 1 9 9 ILE H H 9 9.306 9.306 9.145 0.161 25483 8073 1 17 . 1 1 10 10 ILE N N 10 123.657 123.657 122.432 1.225 25483 8074 1 17 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.266 0.133 25483 8075 1 17 . 1 1 10 10 ILE C C 10 173.066 173.066 173.897 -0.831 25483 8076 1 17 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.799 -0.310 25483 8077 1 17 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.569 -0.772 25483 8078 1 17 . 1 1 10 10 ILE H H 10 8.734 8.734 8.866 -0.132 25483 8079 1 17 . 1 1 11 11 TYR N N 11 128.973 128.973 128.244 0.729 25483 8080 1 17 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.802 0.885 25483 8081 1 17 . 1 1 11 11 TYR C C 11 176.756 176.756 174.651 2.105 25483 8082 1 17 . 1 1 11 11 TYR CA C 11 57.408 57.408 57.923 -0.515 25483 8083 1 17 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.538 1.746 25483 8084 1 17 . 1 1 11 11 TYR H H 11 9.292 9.292 8.866 0.426 25483 8085 1 17 . 1 1 12 12 THR N N 12 112.725 112.725 115.220 -2.495 25483 8086 1 17 . 1 1 12 12 THR HA H 12 5.732 5.732 4.524 1.208 25483 8087 1 17 . 1 1 12 12 THR C C 12 172.866 172.866 173.333 -0.467 25483 8088 1 17 . 1 1 12 12 THR CA C 12 59.671 59.671 61.001 -1.329 25483 8089 1 17 . 1 1 12 12 THR CB C 12 72.735 72.735 70.736 1.999 25483 8090 1 17 . 1 1 12 12 THR H H 12 9.253 9.253 7.831 1.422 25483 8091 1 17 . 1 1 13 13 ARG N N 13 116.857 116.857 121.641 -4.784 25483 8092 1 17 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.396 0.389 25483 8093 1 17 . 1 1 13 13 ARG C C 13 173.407 173.407 175.804 -2.397 25483 8094 1 17 . 1 1 13 13 ARG CA C 13 53.254 53.254 55.911 -2.657 25483 8095 1 17 . 1 1 13 13 ARG CB C 13 31.597 31.597 29.579 2.018 25483 8096 1 17 . 1 1 13 13 ARG H H 13 8.695 8.695 8.354 0.341 25483 8097 1 17 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.376 -0.215 25483 8098 1 17 . 1 1 14 14 PRO C C 14 177.642 177.642 176.629 1.013 25483 8099 1 17 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.381 -5.403 25483 8100 1 17 . 1 1 14 14 PRO CB C 14 30.197 30.197 32.424 -2.227 25483 8101 1 17 . 1 1 15 15 GLY N N 15 108.958 108.958 107.132 1.826 25483 8102 1 17 . 1 1 15 15 GLY C C 15 173.520 173.520 173.175 0.345 25483 8103 1 17 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.095 0.938 25483 8104 1 17 . 1 1 15 15 GLY H H 15 8.534 8.534 7.691 0.843 25483 8105 1 17 . 1 1 16 16 CYS N N 16 122.701 122.701 122.776 -0.075 25483 8106 1 17 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.417 0.618 25483 8107 1 17 . 1 1 16 16 CYS C C 16 175.994 175.994 173.144 2.850 25483 8108 1 17 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.905 -4.687 25483 8109 1 17 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.136 4.578 25483 8110 1 17 . 1 1 16 16 CYS H H 16 7.476 7.476 8.842 -1.366 25483 8111 1 17 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.460 -0.120 25483 8112 1 17 . 1 1 17 17 PRO C C 17 178.531 178.531 177.515 1.016 25483 8113 1 17 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.739 1.792 25483 8114 1 17 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.151 -0.011 25483 8115 1 17 . 1 1 18 18 TYR N N 18 121.799 121.799 118.433 3.366 25483 8116 1 17 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.614 -0.192 25483 8117 1 17 . 1 1 18 18 TYR C C 18 178.508 178.508 176.527 1.981 25483 8118 1 17 . 1 1 18 18 TYR CA C 18 61.076 61.076 57.974 3.102 25483 8119 1 17 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.420 2.013 25483 8120 1 17 . 1 1 18 18 TYR H H 18 8.148 8.148 8.956 -0.808 25483 8121 1 17 . 1 1 19 19 CYS N N 19 122.966 122.966 116.559 6.407 25483 8122 1 17 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.633 -0.631 25483 8123 1 17 . 1 1 19 19 CYS C C 19 177.642 177.642 175.855 1.787 25483 8124 1 17 . 1 1 19 19 CYS CA C 19 64.471 64.471 57.070 7.401 25483 8125 1 17 . 1 1 19 19 CYS CB C 19 31.017 31.017 28.196 2.821 25483 8126 1 17 . 1 1 19 19 CYS H H 19 7.833 7.833 7.817 0.016 25483 8127 1 17 . 1 1 20 20 ALA N N 20 121.738 121.738 124.206 -2.468 25483 8128 1 17 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.946 0.204 25483 8129 1 17 . 1 1 20 20 ALA C C 20 180.531 180.531 179.241 1.290 25483 8130 1 17 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.921 0.663 25483 8131 1 17 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.265 -0.236 25483 8132 1 17 . 1 1 20 20 ALA H H 20 7.080 7.080 8.167 -1.087 25483 8133 1 17 . 1 1 21 21 ARG N N 21 119.812 119.812 118.355 1.457 25483 8134 1 17 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.110 0.132 25483 8135 1 17 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.315 -1.390 25483 8136 1 17 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.459 0.409 25483 8137 1 17 . 1 1 21 21 ARG H H 21 8.039 8.039 7.955 0.084 25483 8138 1 17 . 1 1 22 22 ALA N N 22 124.459 124.459 121.252 3.207 25483 8139 1 17 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.867 0.273 25483 8140 1 17 . 1 1 22 22 ALA C C 22 178.267 178.267 179.803 -1.536 25483 8141 1 17 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.993 0.678 25483 8142 1 17 . 1 1 22 22 ALA CB C 22 19.225 19.225 17.940 1.285 25483 8143 1 17 . 1 1 22 22 ALA H H 22 7.768 7.768 7.855 -0.087 25483 8144 1 17 . 1 1 23 23 LYS N N 23 116.014 116.014 117.298 -1.284 25483 8145 1 17 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.516 -0.215 25483 8146 1 17 . 1 1 23 23 LYS C C 23 177.995 177.995 178.682 -0.687 25483 8147 1 17 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.576 3.146 25483 8148 1 17 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.510 0.140 25483 8149 1 17 . 1 1 23 23 LYS H H 23 7.984 7.984 7.274 0.710 25483 8150 1 17 . 1 1 24 24 ALA N N 24 120.042 120.042 122.669 -2.627 25483 8151 1 17 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.051 0.159 25483 8152 1 17 . 1 1 24 24 ALA C C 24 180.610 180.610 179.787 0.823 25483 8153 1 17 . 1 1 24 24 ALA CA C 24 54.865 54.865 55.002 -0.137 25483 8154 1 17 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.187 -0.251 25483 8155 1 17 . 1 1 24 24 ALA H H 24 8.040 8.040 8.088 -0.048 25483 8156 1 17 . 1 1 25 25 LEU N N 25 119.514 119.514 119.160 0.354 25483 8157 1 17 . 1 1 25 25 LEU HA H 25 4.152 4.152 4.027 0.125 25483 8158 1 17 . 1 1 25 25 LEU C C 25 177.834 177.834 178.626 -0.792 25483 8159 1 17 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.459 0.229 25483 8160 1 17 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.540 -0.805 25483 8161 1 17 . 1 1 25 25 LEU H H 25 7.150 7.150 7.369 -0.219 25483 8162 1 17 . 1 1 26 26 LEU N N 26 117.253 117.253 116.806 0.447 25483 8163 1 17 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.855 -0.102 25483 8164 1 17 . 1 1 26 26 LEU C C 26 178.553 178.553 178.277 0.276 25483 8165 1 17 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.465 1.010 25483 8166 1 17 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.334 -0.270 25483 8167 1 17 . 1 1 26 26 LEU H H 26 7.576 7.576 7.567 0.009 25483 8168 1 17 . 1 1 27 27 ALA N N 27 119.606 119.606 118.275 1.331 25483 8169 1 17 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.385 -0.044 25483 8170 1 17 . 1 1 27 27 ALA C C 27 182.219 182.219 179.602 2.617 25483 8171 1 17 . 1 1 27 27 ALA CA C 27 55.326 55.326 53.640 1.686 25483 8172 1 17 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.642 -0.534 25483 8173 1 17 . 1 1 27 27 ALA H H 27 8.629 8.629 7.772 0.857 25483 8174 1 17 . 1 1 28 28 ARG N N 28 121.081 121.081 121.178 -0.097 25483 8175 1 17 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.233 -0.068 25483 8176 1 17 . 1 1 28 28 ARG C C 28 178.659 178.659 177.376 1.283 25483 8177 1 17 . 1 1 28 28 ARG CA C 28 59.181 59.181 57.901 1.280 25483 8178 1 17 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.490 -0.570 25483 8179 1 17 . 1 1 28 28 ARG H H 28 7.992 7.992 7.942 0.050 25483 8180 1 17 . 1 1 29 29 LYS N N 29 115.790 115.790 116.550 -0.760 25483 8181 1 17 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.531 -0.297 25483 8182 1 17 . 1 1 29 29 LYS C C 29 176.666 176.666 176.467 0.199 25483 8183 1 17 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.604 -0.659 25483 8184 1 17 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.174 -0.733 25483 8185 1 17 . 1 1 29 29 LYS H H 29 7.663 7.663 7.605 0.058 25483 8186 1 17 . 1 1 30 30 GLY N N 30 107.767 107.767 109.057 -1.290 25483 8187 1 17 . 1 1 30 30 GLY C C 30 174.014 174.014 174.976 -0.962 25483 8188 1 17 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.887 -0.482 25483 8189 1 17 . 1 1 30 30 GLY H H 30 7.930 7.930 7.473 0.457 25483 8190 1 17 . 1 1 31 31 ALA N N 31 122.192 122.192 122.156 0.036 25483 8191 1 17 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.214 0.289 25483 8192 1 17 . 1 1 31 31 ALA C C 31 176.691 176.691 177.014 -0.323 25483 8193 1 17 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.061 -0.430 25483 8194 1 17 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.296 -0.358 25483 8195 1 17 . 1 1 31 31 ALA H H 31 7.844 7.844 7.949 -0.105 25483 8196 1 17 . 1 1 32 32 GLU N N 32 123.903 123.903 118.960 4.943 25483 8197 1 17 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.520 -0.285 25483 8198 1 17 . 1 1 32 32 GLU C C 32 176.080 176.080 174.928 1.152 25483 8199 1 17 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.882 -0.147 25483 8200 1 17 . 1 1 32 32 GLU CB C 32 29.777 29.777 31.391 -1.614 25483 8201 1 17 . 1 1 32 32 GLU H H 32 8.337 8.337 8.527 -0.190 25483 8202 1 17 . 1 1 33 33 PHE N N 33 116.634 116.634 113.952 2.682 25483 8203 1 17 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.111 0.121 25483 8204 1 17 . 1 1 33 33 PHE C C 33 173.397 173.397 173.466 -0.069 25483 8205 1 17 . 1 1 33 33 PHE CA C 33 55.221 55.221 56.753 -1.532 25483 8206 1 17 . 1 1 33 33 PHE CB C 33 41.508 41.508 40.994 0.514 25483 8207 1 17 . 1 1 33 33 PHE H H 33 7.640 7.640 7.658 -0.018 25483 8208 1 17 . 1 1 34 34 ASN N N 34 120.133 120.133 120.016 0.117 25483 8209 1 17 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.874 0.097 25483 8210 1 17 . 1 1 34 34 ASN C C 34 173.199 173.199 174.195 -0.996 25483 8211 1 17 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.331 -0.151 25483 8212 1 17 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.044 -1.204 25483 8213 1 17 . 1 1 34 34 ASN H H 34 8.921 8.921 8.482 0.439 25483 8214 1 17 . 1 1 35 35 GLU N N 35 126.204 126.204 124.536 1.668 25483 8215 1 17 . 1 1 35 35 GLU HA H 35 5.178 5.178 5.093 0.085 25483 8216 1 17 . 1 1 35 35 GLU C C 35 175.185 175.185 176.132 -0.947 25483 8217 1 17 . 1 1 35 35 GLU CA C 35 54.551 54.551 55.837 -1.286 25483 8218 1 17 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.081 0.356 25483 8219 1 17 . 1 1 35 35 GLU H H 35 8.758 8.758 8.674 0.084 25483 8220 1 17 . 1 1 36 36 ILE N N 36 130.012 130.012 122.080 7.932 25483 8221 1 17 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.119 0.042 25483 8222 1 17 . 1 1 36 36 ILE C C 36 174.987 174.987 174.506 0.481 25483 8223 1 17 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.911 0.272 25483 8224 1 17 . 1 1 36 36 ILE CB C 36 40.273 40.273 40.280 -0.007 25483 8225 1 17 . 1 1 36 36 ILE H H 36 9.080 9.080 7.887 1.193 25483 8226 1 17 . 1 1 37 37 ASP N N 37 125.921 125.921 128.891 -2.970 25483 8227 1 17 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.596 0.406 25483 8228 1 17 . 1 1 37 37 ASP C C 37 176.847 176.847 175.667 1.180 25483 8229 1 17 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.475 -1.597 25483 8230 1 17 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.298 -1.008 25483 8231 1 17 . 1 1 37 37 ASP H H 37 8.515 8.515 8.553 -0.038 25483 8232 1 17 . 1 1 38 38 ALA N N 38 130.525 130.525 126.335 4.190 25483 8233 1 17 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.477 0.181 25483 8234 1 17 . 1 1 38 38 ALA C C 38 175.507 175.507 177.545 -2.038 25483 8235 1 17 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.589 0.331 25483 8236 1 17 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.639 -0.027 25483 8237 1 17 . 1 1 38 38 ALA H H 38 8.845 8.845 7.912 0.933 25483 8238 1 17 . 1 1 39 39 SER N N 39 111.653 111.653 113.084 -1.431 25483 8239 1 17 . 1 1 39 39 SER HA H 39 4.425 4.425 4.198 0.227 25483 8240 1 17 . 1 1 39 39 SER C C 39 176.988 176.988 174.603 2.385 25483 8241 1 17 . 1 1 39 39 SER CA C 39 59.504 59.504 58.972 0.532 25483 8242 1 17 . 1 1 39 39 SER CB C 39 64.768 64.768 62.950 1.818 25483 8243 1 17 . 1 1 39 39 SER H H 39 8.727 8.727 8.877 -0.150 25483 8244 1 17 . 1 1 40 40 ALA N N 40 124.164 124.164 121.070 3.094 25483 8245 1 17 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.510 -0.281 25483 8246 1 17 . 1 1 40 40 ALA C C 40 178.039 178.039 177.039 1.000 25483 8247 1 17 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.978 1.869 25483 8248 1 17 . 1 1 40 40 ALA CB C 40 20.378 20.378 19.951 0.427 25483 8249 1 17 . 1 1 40 40 ALA H H 40 7.543 7.543 8.395 -0.852 25483 8250 1 17 . 1 1 41 41 THR N N 41 106.060 106.060 112.878 -6.818 25483 8251 1 17 . 1 1 41 41 THR HA H 41 5.006 5.006 4.831 0.175 25483 8252 1 17 . 1 1 41 41 THR C C 41 173.200 173.200 172.914 0.286 25483 8253 1 17 . 1 1 41 41 THR CA C 41 57.856 57.856 58.761 -0.905 25483 8254 1 17 . 1 1 41 41 THR CB C 41 70.541 70.541 70.319 0.222 25483 8255 1 17 . 1 1 41 41 THR H H 41 7.162 7.162 7.489 -0.327 25483 8256 1 17 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.458 -0.133 25483 8257 1 17 . 1 1 42 42 PRO C C 42 179.534 179.534 178.017 1.517 25483 8258 1 17 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.622 0.185 25483 8259 1 17 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.157 -0.416 25483 8260 1 17 . 1 1 43 43 GLU N N 43 118.723 118.723 118.777 -0.054 25483 8261 1 17 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.150 -0.042 25483 8262 1 17 . 1 1 43 43 GLU C C 43 179.692 179.692 178.501 1.191 25483 8263 1 17 . 1 1 43 43 GLU CA C 43 60.721 60.721 58.929 1.792 25483 8264 1 17 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.713 -1.162 25483 8265 1 17 . 1 1 43 43 GLU H H 43 9.124 9.124 8.075 1.049 25483 8266 1 17 . 1 1 44 44 LEU N N 44 121.970 121.970 119.424 2.546 25483 8267 1 17 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.375 -0.035 25483 8268 1 17 . 1 1 44 44 LEU C C 44 178.924 178.924 179.069 -0.145 25483 8269 1 17 . 1 1 44 44 LEU CA C 44 57.472 57.472 57.517 -0.045 25483 8270 1 17 . 1 1 44 44 LEU CB C 44 42.432 42.432 42.082 0.350 25483 8271 1 17 . 1 1 44 44 LEU H H 44 7.838 7.838 7.608 0.230 25483 8272 1 17 . 1 1 45 45 ARG N N 45 122.130 122.130 117.682 4.448 25483 8273 1 17 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.982 0.111 25483 8274 1 17 . 1 1 45 45 ARG C C 45 178.955 178.955 178.374 0.581 25483 8275 1 17 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.088 1.036 25483 8276 1 17 . 1 1 45 45 ARG CB C 45 30.147 30.147 29.275 0.872 25483 8277 1 17 . 1 1 45 45 ARG H H 45 7.762 7.762 7.761 0.001 25483 8278 1 17 . 1 1 46 46 ALA N N 46 121.165 121.165 121.610 -0.445 25483 8279 1 17 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.091 0.045 25483 8280 1 17 . 1 1 46 46 ALA C C 46 179.912 179.912 179.723 0.189 25483 8281 1 17 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.825 0.120 25483 8282 1 17 . 1 1 46 46 ALA CB C 46 17.712 17.712 17.974 -0.262 25483 8283 1 17 . 1 1 46 46 ALA H H 46 8.160 8.160 7.838 0.322 25483 8284 1 17 . 1 1 47 47 GLU N N 47 120.906 120.906 119.136 1.770 25483 8285 1 17 . 1 1 47 47 GLU HA H 47 4.053 4.053 3.942 0.112 25483 8286 1 17 . 1 1 47 47 GLU C C 47 178.039 178.039 179.668 -1.629 25483 8287 1 17 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.667 -0.167 25483 8288 1 17 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.236 0.575 25483 8289 1 17 . 1 1 47 47 GLU H H 47 7.918 7.918 7.698 0.220 25483 8290 1 17 . 1 1 48 48 MET N N 48 118.645 118.645 118.348 0.297 25483 8291 1 17 . 1 1 48 48 MET HA H 48 2.897 2.897 4.101 -1.204 25483 8292 1 17 . 1 1 48 48 MET C C 48 180.282 180.282 178.120 2.162 25483 8293 1 17 . 1 1 48 48 MET CA C 48 59.540 59.540 58.760 0.780 25483 8294 1 17 . 1 1 48 48 MET CB C 48 33.502 33.502 32.333 1.169 25483 8295 1 17 . 1 1 48 48 MET H H 48 8.047 8.047 7.569 0.478 25483 8296 1 17 . 1 1 49 49 GLN N N 49 122.104 122.104 119.198 2.906 25483 8297 1 17 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.105 0.234 25483 8298 1 17 . 1 1 49 49 GLN C C 49 178.780 178.780 177.225 1.555 25483 8299 1 17 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.501 0.243 25483 8300 1 17 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.518 -0.280 25483 8301 1 17 . 1 1 49 49 GLN H H 49 8.237 8.237 8.042 0.195 25483 8302 1 17 . 1 1 50 50 GLU N N 50 121.947 121.947 119.340 2.607 25483 8303 1 17 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.041 -0.072 25483 8304 1 17 . 1 1 50 50 GLU C C 50 178.863 178.863 178.221 0.642 25483 8305 1 17 . 1 1 50 50 GLU CA C 50 59.131 59.131 59.024 0.107 25483 8306 1 17 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.666 0.052 25483 8307 1 17 . 1 1 50 50 GLU H H 50 8.659 8.659 7.786 0.873 25483 8308 1 17 . 1 1 51 51 ARG N N 51 115.832 115.832 117.804 -1.972 25483 8309 1 17 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.278 -0.218 25483 8310 1 17 . 1 1 51 51 ARG C C 51 177.748 177.748 177.124 0.624 25483 8311 1 17 . 1 1 51 51 ARG CA C 51 58.480 58.480 56.313 2.167 25483 8312 1 17 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.512 0.645 25483 8313 1 17 . 1 1 51 51 ARG H H 51 8.231 8.231 8.004 0.227 25483 8314 1 17 . 1 1 52 52 SER N N 52 109.790 109.790 113.560 -3.770 25483 8315 1 17 . 1 1 52 52 SER HA H 52 3.759 3.759 4.255 -0.496 25483 8316 1 17 . 1 1 52 52 SER C C 52 174.149 174.149 174.501 -0.352 25483 8317 1 17 . 1 1 52 52 SER CA C 52 58.883 58.883 58.996 -0.113 25483 8318 1 17 . 1 1 52 52 SER CB C 52 66.744 66.744 62.399 4.345 25483 8319 1 17 . 1 1 52 52 SER H H 52 8.032 8.032 8.007 0.025 25483 8320 1 17 . 1 1 53 53 GLY N N 53 112.524 112.524 109.876 2.648 25483 8321 1 17 . 1 1 53 53 GLY C C 53 173.690 173.690 174.507 -0.817 25483 8322 1 17 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.811 1.282 25483 8323 1 17 . 1 1 53 53 GLY H H 53 8.239 8.239 8.477 -0.238 25483 8324 1 17 . 1 1 54 54 ARG N N 54 119.453 119.453 120.913 -1.460 25483 8325 1 17 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.161 0.492 25483 8326 1 17 . 1 1 54 54 ARG C C 54 174.144 174.144 176.244 -2.100 25483 8327 1 17 . 1 1 54 54 ARG CA C 54 54.660 54.660 55.978 -1.318 25483 8328 1 17 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.555 4.700 25483 8329 1 17 . 1 1 54 54 ARG H H 54 8.309 8.309 8.360 -0.051 25483 8330 1 17 . 1 1 55 55 ASN N N 55 112.521 112.521 116.722 -4.201 25483 8331 1 17 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.781 -0.088 25483 8332 1 17 . 1 1 55 55 ASN C C 55 175.197 175.197 174.898 0.299 25483 8333 1 17 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.745 -1.064 25483 8334 1 17 . 1 1 55 55 ASN CB C 55 39.468 39.468 39.352 0.116 25483 8335 1 17 . 1 1 55 55 ASN H H 55 8.154 8.154 8.438 -0.284 25483 8336 1 17 . 1 1 56 56 THR N N 56 107.919 107.919 112.822 -4.903 25483 8337 1 17 . 1 1 56 56 THR HA H 56 4.356 4.356 4.064 0.292 25483 8338 1 17 . 1 1 56 56 THR C C 56 172.477 172.477 174.106 -1.629 25483 8339 1 17 . 1 1 56 56 THR CA C 56 59.438 59.438 63.734 -4.296 25483 8340 1 17 . 1 1 56 56 THR CB C 56 70.636 70.636 68.943 1.693 25483 8341 1 17 . 1 1 56 56 THR H H 56 6.778 6.778 7.457 -0.679 25483 8342 1 17 . 1 1 57 57 PHE N N 57 117.789 117.789 116.989 0.800 25483 8343 1 17 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.166 -0.441 25483 8344 1 17 . 1 1 57 57 PHE C C 57 174.241 174.241 173.666 0.575 25483 8345 1 17 . 1 1 57 57 PHE CA C 57 55.088 55.088 52.520 2.568 25483 8346 1 17 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.795 4.711 25483 8347 1 17 . 1 1 57 57 PHE H H 57 8.469 8.469 6.776 1.693 25483 8348 1 17 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.526 1.087 25483 8349 1 17 . 1 1 58 58 PRO C C 58 177.062 177.062 176.032 1.030 25483 8350 1 17 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.813 0.368 25483 8351 1 17 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.024 3.437 25483 8352 1 17 . 1 1 59 59 GLN N N 59 112.113 112.113 117.822 -5.709 25483 8353 1 17 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.729 0.091 25483 8354 1 17 . 1 1 59 59 GLN C C 59 175.655 175.655 176.089 -0.434 25483 8355 1 17 . 1 1 59 59 GLN CA C 59 55.168 55.168 55.086 0.082 25483 8356 1 17 . 1 1 59 59 GLN CB C 59 31.479 31.479 29.332 2.147 25483 8357 1 17 . 1 1 59 59 GLN H H 59 8.041 8.041 8.182 -0.141 25483 8358 1 17 . 1 1 60 60 ILE N N 60 123.134 123.134 124.616 -1.482 25483 8359 1 17 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.632 0.326 25483 8360 1 17 . 1 1 60 60 ILE C C 60 174.350 174.350 174.932 -0.582 25483 8361 1 17 . 1 1 60 60 ILE CA C 60 61.174 61.174 60.077 1.097 25483 8362 1 17 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.038 1.790 25483 8363 1 17 . 1 1 60 60 ILE H H 60 8.940 8.940 7.946 0.994 25483 8364 1 17 . 1 1 61 61 PHE N N 61 128.163 128.163 123.747 4.416 25483 8365 1 17 . 1 1 61 61 PHE HA H 61 5.393 5.393 5.400 -0.007 25483 8366 1 17 . 1 1 61 61 PHE C C 61 174.659 174.659 174.554 0.105 25483 8367 1 17 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.731 -0.085 25483 8368 1 17 . 1 1 61 61 PHE CB C 61 41.735 41.735 44.118 -2.383 25483 8369 1 17 . 1 1 61 61 PHE H H 61 9.645 9.645 8.991 0.654 25483 8370 1 17 . 1 1 62 62 ILE N N 62 122.592 122.592 122.123 0.469 25483 8371 1 17 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.696 -0.066 25483 8372 1 17 . 1 1 62 62 ILE C C 62 175.360 175.360 175.869 -0.509 25483 8373 1 17 . 1 1 62 62 ILE CA C 62 61.008 61.008 60.930 0.078 25483 8374 1 17 . 1 1 62 62 ILE CB C 62 39.569 39.569 39.901 -0.332 25483 8375 1 17 . 1 1 62 62 ILE H H 62 9.066 9.066 8.040 1.026 25483 8376 1 17 . 1 1 63 63 GLY N N 63 116.263 116.263 116.606 -0.343 25483 8377 1 17 . 1 1 63 63 GLY C C 63 175.630 175.630 174.743 0.887 25483 8378 1 17 . 1 1 63 63 GLY CA C 63 47.253 47.253 45.712 1.541 25483 8379 1 17 . 1 1 63 63 GLY H H 63 9.307 9.307 8.368 0.939 25483 8380 1 17 . 1 1 64 64 SER N N 64 122.053 122.053 116.121 5.932 25483 8381 1 17 . 1 1 64 64 SER HA H 64 4.566 4.566 4.345 0.221 25483 8382 1 17 . 1 1 64 64 SER C C 64 173.891 173.891 173.081 0.810 25483 8383 1 17 . 1 1 64 64 SER CA C 64 59.071 59.071 59.217 -0.146 25483 8384 1 17 . 1 1 64 64 SER CB C 64 63.895 63.895 63.328 0.567 25483 8385 1 17 . 1 1 64 64 SER H H 64 9.236 9.236 8.699 0.537 25483 8386 1 17 . 1 1 65 65 VAL N N 65 124.553 124.553 120.686 3.867 25483 8387 1 17 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.136 -0.059 25483 8388 1 17 . 1 1 65 65 VAL C C 65 175.294 175.294 174.226 1.068 25483 8389 1 17 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.513 1.222 25483 8390 1 17 . 1 1 65 65 VAL CB C 65 33.078 33.078 33.792 -0.714 25483 8391 1 17 . 1 1 65 65 VAL H H 65 8.494 8.494 7.864 0.630 25483 8392 1 17 . 1 1 66 66 HIS N N 66 102.561 102.561 127.412 -24.851 25483 8393 1 17 . 1 1 66 66 HIS HA H 66 4.362 4.362 3.249 1.113 25483 8394 1 17 . 1 1 66 66 HIS CA C 66 54.613 54.613 56.114 -1.501 25483 8395 1 17 . 1 1 66 66 HIS CB C 66 30.941 30.941 29.658 1.283 25483 8396 1 17 . 1 1 66 66 HIS H H 66 8.966 8.966 8.521 0.445 25483 8397 1 17 . 1 1 67 67 VAL N N 67 130.151 130.151 127.544 2.607 25483 8398 1 17 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.237 -0.807 25483 8399 1 17 . 1 1 67 67 VAL C C 67 174.677 174.677 175.784 -1.107 25483 8400 1 17 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.162 3.867 25483 8401 1 17 . 1 1 67 67 VAL CB C 67 32.426 32.426 32.627 -0.201 25483 8402 1 17 . 1 1 67 67 VAL H H 67 8.214 8.214 7.640 0.574 25483 8403 1 17 . 1 1 68 68 GLY N N 68 102.768 102.768 114.384 -11.616 25483 8404 1 17 . 1 1 68 68 GLY C C 68 173.023 173.023 173.871 -0.848 25483 8405 1 17 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.291 -3.511 25483 8406 1 17 . 1 1 68 68 GLY H H 68 6.436 6.436 8.482 -2.046 25483 8407 1 17 . 1 1 69 69 GLY N N 69 110.061 110.061 105.985 4.076 25483 8408 1 17 . 1 1 69 69 GLY C C 69 175.375 175.375 173.780 1.595 25483 8409 1 17 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.443 -0.520 25483 8410 1 17 . 1 1 69 69 GLY H H 69 9.004 9.004 7.068 1.936 25483 8411 1 17 . 1 1 70 70 SER N N 70 113.592 113.592 117.464 -3.872 25483 8412 1 17 . 1 1 70 70 SER HA H 70 3.894 3.894 3.877 0.017 25483 8413 1 17 . 1 1 70 70 SER CA C 70 62.816 62.816 61.869 0.947 25483 8414 1 17 . 1 1 70 70 SER H H 70 8.088 8.088 8.705 -0.617 25483 8415 1 17 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.337 0.067 25483 8416 1 17 . 1 1 71 71 ASP C C 71 179.115 179.115 178.185 0.930 25483 8417 1 17 . 1 1 71 71 ASP CA C 71 57.610 57.610 58.009 -0.399 25483 8418 1 17 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.304 -0.979 25483 8419 1 17 . 1 1 72 72 ASP N N 72 119.325 119.325 119.424 -0.099 25483 8420 1 17 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.497 -0.151 25483 8421 1 17 . 1 1 72 72 ASP C C 72 177.816 177.816 178.565 -0.749 25483 8422 1 17 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.639 0.574 25483 8423 1 17 . 1 1 72 72 ASP CB C 72 41.409 41.409 41.034 0.375 25483 8424 1 17 . 1 1 72 72 ASP H H 72 7.232 7.232 7.481 -0.249 25483 8425 1 17 . 1 1 73 73 LEU N N 73 121.336 121.336 122.149 -0.813 25483 8426 1 17 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.855 -0.082 25483 8427 1 17 . 1 1 73 73 LEU C C 73 177.957 177.957 178.559 -0.602 25483 8428 1 17 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.040 0.314 25483 8429 1 17 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.516 0.660 25483 8430 1 17 . 1 1 73 73 LEU H H 73 7.789 7.789 8.399 -0.610 25483 8431 1 17 . 1 1 74 74 TYR N N 74 116.570 116.570 117.413 -0.843 25483 8432 1 17 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.216 -0.467 25483 8433 1 17 . 1 1 74 74 TYR C C 74 178.275 178.275 177.787 0.488 25483 8434 1 17 . 1 1 74 74 TYR CA C 74 62.698 62.698 61.419 1.279 25483 8435 1 17 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.850 -0.339 25483 8436 1 17 . 1 1 74 74 TYR H H 74 8.318 8.318 8.413 -0.095 25483 8437 1 17 . 1 1 75 75 ALA N N 75 122.593 122.593 123.248 -0.655 25483 8438 1 17 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.954 0.301 25483 8439 1 17 . 1 1 75 75 ALA C C 75 180.162 180.162 179.448 0.714 25483 8440 1 17 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.268 0.335 25483 8441 1 17 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.101 -0.472 25483 8442 1 17 . 1 1 75 75 ALA H H 75 8.082 8.082 7.598 0.484 25483 8443 1 17 . 1 1 76 76 LEU N N 76 116.647 116.647 118.408 -1.761 25483 8444 1 17 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.857 0.198 25483 8445 1 17 . 1 1 76 76 LEU C C 76 179.538 179.538 179.172 0.366 25483 8446 1 17 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.915 -0.059 25483 8447 1 17 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.279 1.398 25483 8448 1 17 . 1 1 76 76 LEU H H 76 7.389 7.389 8.312 -0.923 25483 8449 1 17 . 1 1 77 77 GLU N N 77 121.342 121.342 119.682 1.660 25483 8450 1 17 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.947 0.650 25483 8451 1 17 . 1 1 77 77 GLU C C 77 179.674 179.674 179.040 0.634 25483 8452 1 17 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.563 -1.532 25483 8453 1 17 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.139 -1.022 25483 8454 1 17 . 1 1 77 77 GLU H H 77 7.461 7.461 7.562 -0.101 25483 8455 1 17 . 1 1 78 78 ASP N N 78 123.339 123.339 119.718 3.621 25483 8456 1 17 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.421 0.030 25483 8457 1 17 . 1 1 78 78 ASP C C 78 178.412 178.412 178.563 -0.151 25483 8458 1 17 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.970 0.500 25483 8459 1 17 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.902 -0.358 25483 8460 1 17 . 1 1 78 78 ASP H H 78 8.650 8.650 8.149 0.501 25483 8461 1 17 . 1 1 79 79 GLU N N 79 115.360 115.360 117.206 -1.846 25483 8462 1 17 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.181 0.151 25483 8463 1 17 . 1 1 79 79 GLU C C 79 176.861 176.861 177.744 -0.883 25483 8464 1 17 . 1 1 79 79 GLU CA C 79 56.315 56.315 56.883 -0.568 25483 8465 1 17 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.264 0.437 25483 8466 1 17 . 1 1 79 79 GLU H H 79 7.791 7.791 8.013 -0.222 25483 8467 1 17 . 1 1 80 80 GLY N N 80 108.851 108.851 107.385 1.466 25483 8468 1 17 . 1 1 80 80 GLY C C 80 176.085 176.085 174.139 1.946 25483 8469 1 17 . 1 1 80 80 GLY CA C 80 46.241 46.241 44.906 1.335 25483 8470 1 17 . 1 1 80 80 GLY H H 80 8.078 8.078 8.059 0.019 25483 8471 1 17 . 1 1 81 81 LYS N N 81 116.858 116.858 120.064 -3.206 25483 8472 1 17 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.654 -0.209 25483 8473 1 17 . 1 1 81 81 LYS C C 81 176.789 176.789 175.900 0.889 25483 8474 1 17 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.053 1.515 25483 8475 1 17 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.206 2.798 25483 8476 1 17 . 1 1 81 81 LYS H H 81 8.216 8.216 8.486 -0.270 25483 8477 1 17 . 1 1 82 82 LEU N N 82 122.543 122.543 115.538 7.005 25483 8478 1 17 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.303 -0.262 25483 8479 1 17 . 1 1 82 82 LEU C C 82 177.466 177.466 177.593 -0.127 25483 8480 1 17 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.113 0.384 25483 8481 1 17 . 1 1 82 82 LEU CB C 82 40.489 40.489 42.181 -1.692 25483 8482 1 17 . 1 1 82 82 LEU H H 82 7.516 7.516 7.812 -0.296 25483 8483 1 17 . 1 1 83 83 ASP N N 83 119.643 119.643 120.515 -0.872 25483 8484 1 17 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.296 0.010 25483 8485 1 17 . 1 1 83 83 ASP C C 83 178.744 178.744 178.264 0.480 25483 8486 1 17 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.495 1.243 25483 8487 1 17 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.102 -0.148 25483 8488 1 17 . 1 1 83 83 ASP H H 83 8.662 8.662 8.287 0.375 25483 8489 1 17 . 1 1 84 84 SER N N 84 113.208 113.208 114.513 -1.305 25483 8490 1 17 . 1 1 84 84 SER HA H 84 4.266 4.266 4.283 -0.017 25483 8491 1 17 . 1 1 84 84 SER C C 84 177.581 177.581 176.727 0.854 25483 8492 1 17 . 1 1 84 84 SER CA C 84 61.483 61.483 60.749 0.734 25483 8493 1 17 . 1 1 84 84 SER CB C 84 62.667 62.667 62.781 -0.114 25483 8494 1 17 . 1 1 84 84 SER H H 84 8.425 8.425 8.374 0.051 25483 8495 1 17 . 1 1 85 85 LEU N N 85 126.393 126.393 122.182 4.211 25483 8496 1 17 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.128 0.227 25483 8497 1 17 . 1 1 85 85 LEU C C 85 178.692 178.692 178.263 0.429 25483 8498 1 17 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.104 0.305 25483 8499 1 17 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.064 -0.549 25483 8500 1 17 . 1 1 85 85 LEU H H 85 7.577 7.577 7.477 0.100 25483 8501 1 17 . 1 1 86 86 LEU N N 86 117.833 117.833 113.495 4.338 25483 8502 1 17 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.261 -0.378 25483 8503 1 17 . 1 1 86 86 LEU C C 86 177.470 177.470 178.081 -0.611 25483 8504 1 17 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.770 1.011 25483 8505 1 17 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.230 0.572 25483 8506 1 17 . 1 1 86 86 LEU H H 86 8.406 8.406 8.314 0.092 25483 8507 1 17 . 1 1 87 87 LYS N N 87 113.997 113.997 117.535 -3.538 25483 8508 1 17 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.205 0.184 25483 8509 1 17 . 1 1 87 87 LYS C C 87 178.282 178.282 177.174 1.108 25483 8510 1 17 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.541 -0.207 25483 8511 1 17 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.618 0.295 25483 8512 1 17 . 1 1 87 87 LYS H H 87 7.548 7.548 7.675 -0.127 25483 8513 1 17 . 1 1 88 88 THR N N 88 106.050 106.050 108.835 -2.785 25483 8514 1 17 . 1 1 88 88 THR HA H 88 4.545 4.545 4.438 0.107 25483 8515 1 17 . 1 1 88 88 THR C C 88 176.566 176.566 173.251 3.315 25483 8516 1 17 . 1 1 88 88 THR CA C 88 62.396 62.396 62.001 0.395 25483 8517 1 17 . 1 1 88 88 THR CB C 88 72.438 72.438 71.354 1.084 25483 8518 1 17 . 1 1 88 88 THR H H 88 8.178 8.178 7.895 0.283 25483 8519 1 17 . 1 1 89 89 GLY N N 89 112.811 112.811 110.448 2.363 25483 8520 1 17 . 1 1 89 89 GLY C C 89 171.985 171.985 172.747 -0.762 25483 8521 1 17 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.025 1.791 25483 8522 1 17 . 1 1 89 89 GLY H H 89 9.153 9.153 7.694 1.459 25483 8523 1 17 . 1 1 90 90 LYS N N 90 117.650 117.650 124.176 -6.526 25483 8524 1 17 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.662 -0.152 25483 8525 1 17 . 1 1 90 90 LYS C C 90 174.330 174.330 175.542 -1.212 25483 8526 1 17 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.722 -0.113 25483 8527 1 17 . 1 1 90 90 LYS CB C 90 35.701 35.701 34.457 1.244 25483 8528 1 17 . 1 1 90 90 LYS H H 90 7.940 7.940 8.296 -0.356 25483 8529 1 17 . 1 1 91 91 LEU N N 91 123.149 123.149 122.967 0.182 25483 8530 1 17 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.519 -0.050 25483 8531 1 17 . 1 1 91 91 LEU C C 91 175.848 175.848 177.596 -1.748 25483 8532 1 17 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.735 -1.135 25483 8533 1 17 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.114 0.897 25483 8534 1 17 . 1 1 91 91 LEU H H 91 8.501 8.501 8.485 0.016 25483 8535 1 18 . 1 1 3 3 GLY N N 3 110.312 110.312 107.477 2.835 25483 8536 1 18 . 1 1 3 3 GLY C C 3 174.169 174.169 172.814 1.355 25483 8537 1 18 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.249 1.226 25483 8538 1 18 . 1 1 3 3 GLY H H 3 8.679 8.679 7.917 0.762 25483 8539 1 18 . 1 1 4 4 SER N N 4 115.617 115.617 116.407 -0.790 25483 8540 1 18 . 1 1 4 4 SER HA H 4 4.499 4.499 4.813 -0.314 25483 8541 1 18 . 1 1 4 4 SER C C 4 174.408 174.408 174.403 0.005 25483 8542 1 18 . 1 1 4 4 SER CA C 4 58.541 58.541 57.913 0.628 25483 8543 1 18 . 1 1 4 4 SER CB C 4 63.920 63.920 64.654 -0.734 25483 8544 1 18 . 1 1 4 4 SER H H 4 8.237 8.237 8.287 -0.050 25483 8545 1 18 . 1 1 5 5 MET N N 5 121.390 121.390 122.940 -1.550 25483 8546 1 18 . 1 1 5 5 MET HA H 5 4.702 4.702 4.533 0.169 25483 8547 1 18 . 1 1 5 5 MET C C 5 176.122 176.122 176.383 -0.261 25483 8548 1 18 . 1 1 5 5 MET CA C 5 55.600 55.600 55.162 0.438 25483 8549 1 18 . 1 1 5 5 MET CB C 5 34.357 34.357 33.250 1.107 25483 8550 1 18 . 1 1 5 5 MET H H 5 8.309 8.309 8.424 -0.115 25483 8551 1 18 . 1 1 6 6 VAL N N 6 117.990 117.990 119.618 -1.628 25483 8552 1 18 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.191 0.010 25483 8553 1 18 . 1 1 6 6 VAL C C 6 174.450 174.450 174.725 -0.275 25483 8554 1 18 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.908 -0.490 25483 8555 1 18 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.327 0.258 25483 8556 1 18 . 1 1 6 6 VAL H H 6 8.175 8.175 8.386 -0.211 25483 8557 1 18 . 1 1 7 7 ASP N N 7 121.785 121.785 121.494 0.291 25483 8558 1 18 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.818 -0.250 25483 8559 1 18 . 1 1 7 7 ASP C C 7 175.866 175.866 175.283 0.583 25483 8560 1 18 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.216 1.952 25483 8561 1 18 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.535 -1.935 25483 8562 1 18 . 1 1 7 7 ASP H H 7 8.332 8.332 8.221 0.111 25483 8563 1 18 . 1 1 8 8 VAL N N 8 124.023 124.023 122.322 1.701 25483 8564 1 18 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.342 0.656 25483 8565 1 18 . 1 1 8 8 VAL C C 8 174.859 174.859 175.764 -0.905 25483 8566 1 18 . 1 1 8 8 VAL CA C 8 61.461 61.461 63.043 -1.582 25483 8567 1 18 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.302 1.019 25483 8568 1 18 . 1 1 8 8 VAL H H 8 8.658 8.658 8.054 0.604 25483 8569 1 18 . 1 1 9 9 ILE N N 9 129.744 129.744 127.131 2.613 25483 8570 1 18 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.549 0.462 25483 8571 1 18 . 1 1 9 9 ILE C C 9 174.323 174.323 174.099 0.224 25483 8572 1 18 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.513 -0.816 25483 8573 1 18 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.248 -0.969 25483 8574 1 18 . 1 1 9 9 ILE H H 9 9.306 9.306 9.256 0.050 25483 8575 1 18 . 1 1 10 10 ILE N N 10 123.657 123.657 122.792 0.865 25483 8576 1 18 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.187 0.212 25483 8577 1 18 . 1 1 10 10 ILE C C 10 173.066 173.066 173.569 -0.503 25483 8578 1 18 . 1 1 10 10 ILE CA C 10 58.489 58.489 59.237 -0.748 25483 8579 1 18 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.663 -0.866 25483 8580 1 18 . 1 1 10 10 ILE H H 10 8.734 8.734 8.693 0.041 25483 8581 1 18 . 1 1 11 11 TYR N N 11 128.973 128.973 128.300 0.673 25483 8582 1 18 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.698 0.989 25483 8583 1 18 . 1 1 11 11 TYR C C 11 176.756 176.756 174.508 2.248 25483 8584 1 18 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.492 -1.084 25483 8585 1 18 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.469 1.815 25483 8586 1 18 . 1 1 11 11 TYR H H 11 9.292 9.292 8.954 0.338 25483 8587 1 18 . 1 1 12 12 THR N N 12 112.725 112.725 116.388 -3.663 25483 8588 1 18 . 1 1 12 12 THR HA H 12 5.732 5.732 4.539 1.193 25483 8589 1 18 . 1 1 12 12 THR C C 12 172.866 172.866 172.999 -0.133 25483 8590 1 18 . 1 1 12 12 THR CA C 12 59.671 59.671 60.982 -1.311 25483 8591 1 18 . 1 1 12 12 THR CB C 12 72.735 72.735 71.080 1.655 25483 8592 1 18 . 1 1 12 12 THR H H 12 9.253 9.253 8.177 1.076 25483 8593 1 18 . 1 1 13 13 ARG N N 13 116.857 116.857 122.172 -5.315 25483 8594 1 18 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.518 0.267 25483 8595 1 18 . 1 1 13 13 ARG C C 13 173.407 173.407 175.590 -2.183 25483 8596 1 18 . 1 1 13 13 ARG CA C 13 53.254 53.254 54.836 -1.582 25483 8597 1 18 . 1 1 13 13 ARG CB C 13 31.597 31.597 29.994 1.603 25483 8598 1 18 . 1 1 13 13 ARG H H 13 8.695 8.695 8.451 0.244 25483 8599 1 18 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.810 -0.649 25483 8600 1 18 . 1 1 14 14 PRO C C 14 177.642 177.642 176.734 0.908 25483 8601 1 18 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.313 -5.335 25483 8602 1 18 . 1 1 14 14 PRO CB C 14 30.197 30.197 32.504 -2.307 25483 8603 1 18 . 1 1 15 15 GLY N N 15 108.958 108.958 107.059 1.899 25483 8604 1 18 . 1 1 15 15 GLY C C 15 173.520 173.520 173.495 0.025 25483 8605 1 18 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.041 0.992 25483 8606 1 18 . 1 1 15 15 GLY H H 15 8.534 8.534 7.586 0.948 25483 8607 1 18 . 1 1 16 16 CYS N N 16 122.701 122.701 122.718 -0.017 25483 8608 1 18 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.472 0.563 25483 8609 1 18 . 1 1 16 16 CYS C C 16 175.994 175.994 173.189 2.805 25483 8610 1 18 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.617 -4.399 25483 8611 1 18 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.123 4.591 25483 8612 1 18 . 1 1 16 16 CYS H H 16 7.476 7.476 8.764 -1.288 25483 8613 1 18 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.458 -0.118 25483 8614 1 18 . 1 1 17 17 PRO C C 17 178.531 178.531 176.224 2.307 25483 8615 1 18 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.556 1.975 25483 8616 1 18 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.263 -0.123 25483 8617 1 18 . 1 1 18 18 TYR N N 18 121.799 121.799 117.276 4.523 25483 8618 1 18 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.606 -0.184 25483 8619 1 18 . 1 1 18 18 TYR C C 18 178.508 178.508 176.468 2.040 25483 8620 1 18 . 1 1 18 18 TYR CA C 18 61.076 61.076 57.548 3.528 25483 8621 1 18 . 1 1 18 18 TYR CB C 18 38.433 38.433 37.078 1.355 25483 8622 1 18 . 1 1 18 18 TYR H H 18 8.148 8.148 8.730 -0.582 25483 8623 1 18 . 1 1 19 19 CYS N N 19 122.966 122.966 117.676 5.290 25483 8624 1 18 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.610 -0.608 25483 8625 1 18 . 1 1 19 19 CYS C C 19 177.642 177.642 175.730 1.912 25483 8626 1 18 . 1 1 19 19 CYS CA C 19 64.471 64.471 56.013 8.458 25483 8627 1 18 . 1 1 19 19 CYS CB C 19 31.017 31.017 26.831 4.186 25483 8628 1 18 . 1 1 19 19 CYS H H 19 7.833 7.833 7.459 0.374 25483 8629 1 18 . 1 1 20 20 ALA N N 20 121.738 121.738 124.232 -2.494 25483 8630 1 18 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.181 -0.031 25483 8631 1 18 . 1 1 20 20 ALA C C 20 180.531 180.531 179.008 1.523 25483 8632 1 18 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.076 1.508 25483 8633 1 18 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.998 -0.969 25483 8634 1 18 . 1 1 20 20 ALA H H 20 7.080 7.080 8.288 -1.208 25483 8635 1 18 . 1 1 21 21 ARG N N 21 119.812 119.812 119.452 0.360 25483 8636 1 18 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.172 0.070 25483 8637 1 18 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.034 -1.109 25483 8638 1 18 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.474 0.394 25483 8639 1 18 . 1 1 21 21 ARG H H 21 8.039 8.039 7.766 0.273 25483 8640 1 18 . 1 1 22 22 ALA N N 22 124.459 124.459 120.609 3.850 25483 8641 1 18 . 1 1 22 22 ALA HA H 22 4.140 4.140 4.164 -0.024 25483 8642 1 18 . 1 1 22 22 ALA C C 22 178.267 178.267 179.536 -1.269 25483 8643 1 18 . 1 1 22 22 ALA CA C 22 55.671 55.671 55.338 0.333 25483 8644 1 18 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.069 1.157 25483 8645 1 18 . 1 1 22 22 ALA H H 22 7.768 7.768 8.566 -0.798 25483 8646 1 18 . 1 1 23 23 LYS N N 23 116.014 116.014 117.361 -1.347 25483 8647 1 18 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.605 -0.304 25483 8648 1 18 . 1 1 23 23 LYS C C 23 177.995 177.995 178.675 -0.680 25483 8649 1 18 . 1 1 23 23 LYS CA C 23 60.722 60.722 58.191 2.531 25483 8650 1 18 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.956 -0.306 25483 8651 1 18 . 1 1 23 23 LYS H H 23 7.984 7.984 7.512 0.472 25483 8652 1 18 . 1 1 24 24 ALA N N 24 120.042 120.042 122.767 -2.725 25483 8653 1 18 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.161 0.049 25483 8654 1 18 . 1 1 24 24 ALA C C 24 180.610 180.610 180.006 0.604 25483 8655 1 18 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.929 -0.064 25483 8656 1 18 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.256 -0.320 25483 8657 1 18 . 1 1 24 24 ALA H H 24 8.040 8.040 7.867 0.173 25483 8658 1 18 . 1 1 25 25 LEU N N 25 119.514 119.514 119.728 -0.214 25483 8659 1 18 . 1 1 25 25 LEU HA H 25 4.152 4.152 4.020 0.132 25483 8660 1 18 . 1 1 25 25 LEU C C 25 177.834 177.834 178.417 -0.583 25483 8661 1 18 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.421 0.267 25483 8662 1 18 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.608 -0.873 25483 8663 1 18 . 1 1 25 25 LEU H H 25 7.150 7.150 8.013 -0.863 25483 8664 1 18 . 1 1 26 26 LEU N N 26 117.253 117.253 118.993 -1.740 25483 8665 1 18 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.869 -0.116 25483 8666 1 18 . 1 1 26 26 LEU C C 26 178.553 178.553 179.117 -0.564 25483 8667 1 18 . 1 1 26 26 LEU CA C 26 58.475 58.475 58.381 0.094 25483 8668 1 18 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.336 -0.272 25483 8669 1 18 . 1 1 26 26 LEU H H 26 7.576 7.576 7.771 -0.195 25483 8670 1 18 . 1 1 27 27 ALA N N 27 119.606 119.606 119.520 0.086 25483 8671 1 18 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.182 0.159 25483 8672 1 18 . 1 1 27 27 ALA C C 27 182.219 182.219 179.351 2.868 25483 8673 1 18 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.795 0.531 25483 8674 1 18 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.473 -0.365 25483 8675 1 18 . 1 1 27 27 ALA H H 27 8.629 8.629 7.949 0.680 25483 8676 1 18 . 1 1 28 28 ARG N N 28 121.081 121.081 119.107 1.974 25483 8677 1 18 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.200 -0.035 25483 8678 1 18 . 1 1 28 28 ARG C C 28 178.659 178.659 178.051 0.608 25483 8679 1 18 . 1 1 28 28 ARG CA C 28 59.181 59.181 57.870 1.311 25483 8680 1 18 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.606 -0.686 25483 8681 1 18 . 1 1 28 28 ARG H H 28 7.992 7.992 7.875 0.117 25483 8682 1 18 . 1 1 29 29 LYS N N 29 115.790 115.790 117.061 -1.271 25483 8683 1 18 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.381 -0.147 25483 8684 1 18 . 1 1 29 29 LYS C C 29 176.666 176.666 176.688 -0.022 25483 8685 1 18 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.938 -0.993 25483 8686 1 18 . 1 1 29 29 LYS CB C 29 31.441 31.441 31.901 -0.460 25483 8687 1 18 . 1 1 29 29 LYS H H 29 7.663 7.663 7.775 -0.112 25483 8688 1 18 . 1 1 30 30 GLY N N 30 107.767 107.767 108.385 -0.618 25483 8689 1 18 . 1 1 30 30 GLY C C 30 174.014 174.014 174.784 -0.770 25483 8690 1 18 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.751 -0.346 25483 8691 1 18 . 1 1 30 30 GLY H H 30 7.930 7.930 7.434 0.496 25483 8692 1 18 . 1 1 31 31 ALA N N 31 122.192 122.192 121.513 0.679 25483 8693 1 18 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.312 0.191 25483 8694 1 18 . 1 1 31 31 ALA C C 31 176.691 176.691 176.479 0.212 25483 8695 1 18 . 1 1 31 31 ALA CA C 31 51.631 51.631 51.988 -0.357 25483 8696 1 18 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.346 -0.408 25483 8697 1 18 . 1 1 31 31 ALA H H 31 7.844 7.844 7.873 -0.029 25483 8698 1 18 . 1 1 32 32 GLU N N 32 123.903 123.903 122.602 1.301 25483 8699 1 18 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.426 -0.191 25483 8700 1 18 . 1 1 32 32 GLU C C 32 176.080 176.080 175.239 0.841 25483 8701 1 18 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.100 0.635 25483 8702 1 18 . 1 1 32 32 GLU CB C 32 29.777 29.777 30.884 -1.107 25483 8703 1 18 . 1 1 32 32 GLU H H 32 8.337 8.337 8.525 -0.188 25483 8704 1 18 . 1 1 33 33 PHE N N 33 116.634 116.634 122.567 -5.933 25483 8705 1 18 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.207 0.024 25483 8706 1 18 . 1 1 33 33 PHE C C 33 173.397 173.397 174.046 -0.649 25483 8707 1 18 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.544 -0.323 25483 8708 1 18 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.315 0.193 25483 8709 1 18 . 1 1 33 33 PHE H H 33 7.640 7.640 7.384 0.256 25483 8710 1 18 . 1 1 34 34 ASN N N 34 120.133 120.133 118.762 1.371 25483 8711 1 18 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.877 0.094 25483 8712 1 18 . 1 1 34 34 ASN C C 34 173.199 173.199 174.098 -0.899 25483 8713 1 18 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.291 -0.111 25483 8714 1 18 . 1 1 34 34 ASN CB C 34 39.840 39.840 40.372 -0.532 25483 8715 1 18 . 1 1 34 34 ASN H H 34 8.921 8.921 8.612 0.309 25483 8716 1 18 . 1 1 35 35 GLU N N 35 126.204 126.204 124.796 1.408 25483 8717 1 18 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.793 0.385 25483 8718 1 18 . 1 1 35 35 GLU C C 35 175.185 175.185 175.868 -0.683 25483 8719 1 18 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.256 -1.705 25483 8720 1 18 . 1 1 35 35 GLU CB C 35 31.437 31.437 30.880 0.558 25483 8721 1 18 . 1 1 35 35 GLU H H 35 8.758 8.758 8.686 0.072 25483 8722 1 18 . 1 1 36 36 ILE N N 36 130.012 130.012 123.354 6.658 25483 8723 1 18 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.191 -0.030 25483 8724 1 18 . 1 1 36 36 ILE C C 36 174.987 174.987 174.785 0.202 25483 8725 1 18 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.892 0.291 25483 8726 1 18 . 1 1 36 36 ILE CB C 36 40.273 40.273 39.330 0.943 25483 8727 1 18 . 1 1 36 36 ILE H H 36 9.080 9.080 7.931 1.149 25483 8728 1 18 . 1 1 37 37 ASP N N 37 125.921 125.921 127.187 -1.266 25483 8729 1 18 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.644 0.358 25483 8730 1 18 . 1 1 37 37 ASP C C 37 176.847 176.847 175.312 1.535 25483 8731 1 18 . 1 1 37 37 ASP CA C 37 52.878 52.878 53.607 -0.729 25483 8732 1 18 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.303 -1.013 25483 8733 1 18 . 1 1 37 37 ASP H H 37 8.515 8.515 8.605 -0.090 25483 8734 1 18 . 1 1 38 38 ALA N N 38 130.525 130.525 127.950 2.575 25483 8735 1 18 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.505 0.153 25483 8736 1 18 . 1 1 38 38 ALA C C 38 175.507 175.507 177.612 -2.105 25483 8737 1 18 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.646 0.274 25483 8738 1 18 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.746 -0.134 25483 8739 1 18 . 1 1 38 38 ALA H H 38 8.845 8.845 7.769 1.076 25483 8740 1 18 . 1 1 39 39 SER N N 39 111.653 111.653 111.736 -0.083 25483 8741 1 18 . 1 1 39 39 SER HA H 39 4.425 4.425 4.191 0.234 25483 8742 1 18 . 1 1 39 39 SER C C 39 176.988 176.988 173.812 3.176 25483 8743 1 18 . 1 1 39 39 SER CA C 39 59.504 59.504 59.894 -0.390 25483 8744 1 18 . 1 1 39 39 SER CB C 39 64.768 64.768 61.700 3.068 25483 8745 1 18 . 1 1 39 39 SER H H 39 8.727 8.727 8.871 -0.144 25483 8746 1 18 . 1 1 40 40 ALA N N 40 124.164 124.164 121.761 2.403 25483 8747 1 18 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.597 -0.368 25483 8748 1 18 . 1 1 40 40 ALA C C 40 178.039 178.039 176.627 1.412 25483 8749 1 18 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.658 2.189 25483 8750 1 18 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.034 0.344 25483 8751 1 18 . 1 1 40 40 ALA H H 40 7.543 7.543 8.245 -0.702 25483 8752 1 18 . 1 1 41 41 THR N N 41 106.060 106.060 112.015 -5.955 25483 8753 1 18 . 1 1 41 41 THR HA H 41 5.006 5.006 4.512 0.494 25483 8754 1 18 . 1 1 41 41 THR C C 41 173.200 173.200 172.215 0.985 25483 8755 1 18 . 1 1 41 41 THR CA C 41 57.856 57.856 60.501 -2.645 25483 8756 1 18 . 1 1 41 41 THR CB C 41 70.541 70.541 69.559 0.982 25483 8757 1 18 . 1 1 41 41 THR H H 41 7.162 7.162 7.742 -0.580 25483 8758 1 18 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.470 -0.145 25483 8759 1 18 . 1 1 42 42 PRO C C 42 179.534 179.534 177.940 1.594 25483 8760 1 18 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.796 0.010 25483 8761 1 18 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.128 -0.387 25483 8762 1 18 . 1 1 43 43 GLU N N 43 118.723 118.723 119.993 -1.270 25483 8763 1 18 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.147 -0.039 25483 8764 1 18 . 1 1 43 43 GLU C C 43 179.692 179.692 178.231 1.461 25483 8765 1 18 . 1 1 43 43 GLU CA C 43 60.721 60.721 58.971 1.750 25483 8766 1 18 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.620 -1.069 25483 8767 1 18 . 1 1 43 43 GLU H H 43 9.124 9.124 8.130 0.994 25483 8768 1 18 . 1 1 44 44 LEU N N 44 121.970 121.970 118.691 3.279 25483 8769 1 18 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.392 -0.052 25483 8770 1 18 . 1 1 44 44 LEU C C 44 178.924 178.924 178.720 0.204 25483 8771 1 18 . 1 1 44 44 LEU CA C 44 57.472 57.472 56.928 0.544 25483 8772 1 18 . 1 1 44 44 LEU CB C 44 42.432 42.432 42.060 0.372 25483 8773 1 18 . 1 1 44 44 LEU H H 44 7.838 7.838 7.598 0.240 25483 8774 1 18 . 1 1 45 45 ARG N N 45 122.130 122.130 120.225 1.905 25483 8775 1 18 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.921 0.172 25483 8776 1 18 . 1 1 45 45 ARG C C 45 178.955 178.955 178.205 0.750 25483 8777 1 18 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.649 0.475 25483 8778 1 18 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.171 -0.024 25483 8779 1 18 . 1 1 45 45 ARG H H 45 7.762 7.762 8.612 -0.850 25483 8780 1 18 . 1 1 46 46 ALA N N 46 121.165 121.165 120.315 0.850 25483 8781 1 18 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.114 0.022 25483 8782 1 18 . 1 1 46 46 ALA C C 46 179.912 179.912 179.584 0.328 25483 8783 1 18 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.854 0.091 25483 8784 1 18 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.105 -0.393 25483 8785 1 18 . 1 1 46 46 ALA H H 46 8.160 8.160 7.786 0.374 25483 8786 1 18 . 1 1 47 47 GLU N N 47 120.906 120.906 119.043 1.863 25483 8787 1 18 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.078 -0.025 25483 8788 1 18 . 1 1 47 47 GLU C C 47 178.039 178.039 179.507 -1.468 25483 8789 1 18 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.098 0.402 25483 8790 1 18 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.556 0.255 25483 8791 1 18 . 1 1 47 47 GLU H H 47 7.918 7.918 7.709 0.209 25483 8792 1 18 . 1 1 48 48 MET N N 48 118.645 118.645 118.495 0.150 25483 8793 1 18 . 1 1 48 48 MET HA H 48 2.897 2.897 4.202 -1.305 25483 8794 1 18 . 1 1 48 48 MET C C 48 180.282 180.282 178.447 1.835 25483 8795 1 18 . 1 1 48 48 MET CA C 48 59.540 59.540 57.560 1.980 25483 8796 1 18 . 1 1 48 48 MET CB C 48 33.502 33.502 31.900 1.602 25483 8797 1 18 . 1 1 48 48 MET H H 48 8.047 8.047 8.021 0.026 25483 8798 1 18 . 1 1 49 49 GLN N N 49 122.104 122.104 118.831 3.273 25483 8799 1 18 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.112 0.227 25483 8800 1 18 . 1 1 49 49 GLN C C 49 178.780 178.780 177.570 1.210 25483 8801 1 18 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.515 0.229 25483 8802 1 18 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.090 0.148 25483 8803 1 18 . 1 1 49 49 GLN H H 49 8.237 8.237 7.991 0.246 25483 8804 1 18 . 1 1 50 50 GLU N N 50 121.947 121.947 119.318 2.629 25483 8805 1 18 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.099 -0.130 25483 8806 1 18 . 1 1 50 50 GLU C C 50 178.863 178.863 177.717 1.146 25483 8807 1 18 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.405 0.726 25483 8808 1 18 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.724 -0.005 25483 8809 1 18 . 1 1 50 50 GLU H H 50 8.659 8.659 7.741 0.918 25483 8810 1 18 . 1 1 51 51 ARG N N 51 115.832 115.832 116.725 -0.893 25483 8811 1 18 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.441 -0.381 25483 8812 1 18 . 1 1 51 51 ARG C C 51 177.748 177.748 176.651 1.097 25483 8813 1 18 . 1 1 51 51 ARG CA C 51 58.480 58.480 56.126 2.354 25483 8814 1 18 . 1 1 51 51 ARG CB C 51 31.158 31.158 31.351 -0.193 25483 8815 1 18 . 1 1 51 51 ARG H H 51 8.231 8.231 7.547 0.684 25483 8816 1 18 . 1 1 52 52 SER N N 52 109.790 109.790 113.929 -4.139 25483 8817 1 18 . 1 1 52 52 SER HA H 52 3.759 3.759 4.102 -0.343 25483 8818 1 18 . 1 1 52 52 SER C C 52 174.149 174.149 174.652 -0.503 25483 8819 1 18 . 1 1 52 52 SER CA C 52 58.883 58.883 58.378 0.505 25483 8820 1 18 . 1 1 52 52 SER CB C 52 66.744 66.744 62.735 4.009 25483 8821 1 18 . 1 1 52 52 SER H H 52 8.032 8.032 8.138 -0.106 25483 8822 1 18 . 1 1 53 53 GLY N N 53 112.524 112.524 108.510 4.014 25483 8823 1 18 . 1 1 53 53 GLY C C 53 173.690 173.690 174.699 -1.009 25483 8824 1 18 . 1 1 53 53 GLY CA C 53 46.093 46.093 44.699 1.394 25483 8825 1 18 . 1 1 53 53 GLY H H 53 8.239 8.239 8.267 -0.028 25483 8826 1 18 . 1 1 54 54 ARG N N 54 119.453 119.453 119.176 0.277 25483 8827 1 18 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.147 0.506 25483 8828 1 18 . 1 1 54 54 ARG C C 54 174.144 174.144 177.497 -3.353 25483 8829 1 18 . 1 1 54 54 ARG CA C 54 54.660 54.660 56.472 -1.812 25483 8830 1 18 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.469 4.786 25483 8831 1 18 . 1 1 54 54 ARG H H 54 8.309 8.309 8.335 -0.026 25483 8832 1 18 . 1 1 55 55 ASN N N 55 112.521 112.521 118.152 -5.631 25483 8833 1 18 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.729 -0.036 25483 8834 1 18 . 1 1 55 55 ASN C C 55 175.197 175.197 175.021 0.176 25483 8835 1 18 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.794 -1.113 25483 8836 1 18 . 1 1 55 55 ASN CB C 55 39.468 39.468 37.240 2.228 25483 8837 1 18 . 1 1 55 55 ASN H H 55 8.154 8.154 8.574 -0.420 25483 8838 1 18 . 1 1 56 56 THR N N 56 107.919 107.919 112.960 -5.041 25483 8839 1 18 . 1 1 56 56 THR HA H 56 4.356 4.356 4.027 0.329 25483 8840 1 18 . 1 1 56 56 THR C C 56 172.477 172.477 174.964 -2.487 25483 8841 1 18 . 1 1 56 56 THR CA C 56 59.438 59.438 61.281 -1.843 25483 8842 1 18 . 1 1 56 56 THR CB C 56 70.636 70.636 69.277 1.359 25483 8843 1 18 . 1 1 56 56 THR H H 56 6.778 6.778 7.396 -0.618 25483 8844 1 18 . 1 1 57 57 PHE N N 57 117.789 117.789 117.604 0.185 25483 8845 1 18 . 1 1 57 57 PHE HA H 57 4.725 4.725 4.498 0.227 25483 8846 1 18 . 1 1 57 57 PHE C C 57 174.241 174.241 174.292 -0.051 25483 8847 1 18 . 1 1 57 57 PHE CA C 57 55.088 55.088 55.199 -0.111 25483 8848 1 18 . 1 1 57 57 PHE CB C 57 43.506 43.506 37.107 6.399 25483 8849 1 18 . 1 1 57 57 PHE H H 57 8.469 8.469 7.624 0.845 25483 8850 1 18 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.526 1.087 25483 8851 1 18 . 1 1 58 58 PRO C C 58 177.062 177.062 175.865 1.197 25483 8852 1 18 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.761 0.421 25483 8853 1 18 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.012 3.449 25483 8854 1 18 . 1 1 59 59 GLN N N 59 112.113 112.113 116.932 -4.819 25483 8855 1 18 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.775 0.045 25483 8856 1 18 . 1 1 59 59 GLN C C 59 175.655 175.655 175.767 -0.112 25483 8857 1 18 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.081 1.087 25483 8858 1 18 . 1 1 59 59 GLN CB C 59 31.479 31.479 29.590 1.889 25483 8859 1 18 . 1 1 59 59 GLN H H 59 8.041 8.041 8.127 -0.086 25483 8860 1 18 . 1 1 60 60 ILE N N 60 123.134 123.134 124.247 -1.113 25483 8861 1 18 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.439 0.519 25483 8862 1 18 . 1 1 60 60 ILE C C 60 174.350 174.350 174.615 -0.265 25483 8863 1 18 . 1 1 60 60 ILE CA C 60 61.174 61.174 60.398 0.776 25483 8864 1 18 . 1 1 60 60 ILE CB C 60 40.828 40.828 38.684 2.144 25483 8865 1 18 . 1 1 60 60 ILE H H 60 8.940 8.940 7.952 0.988 25483 8866 1 18 . 1 1 61 61 PHE N N 61 128.163 128.163 124.669 3.494 25483 8867 1 18 . 1 1 61 61 PHE HA H 61 5.393 5.393 5.004 0.389 25483 8868 1 18 . 1 1 61 61 PHE C C 61 174.659 174.659 174.020 0.639 25483 8869 1 18 . 1 1 61 61 PHE CA C 61 56.646 56.646 57.131 -0.485 25483 8870 1 18 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.943 -2.208 25483 8871 1 18 . 1 1 61 61 PHE H H 61 9.645 9.645 9.175 0.470 25483 8872 1 18 . 1 1 62 62 ILE N N 62 122.592 122.592 122.942 -0.350 25483 8873 1 18 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.587 0.043 25483 8874 1 18 . 1 1 62 62 ILE C C 62 175.360 175.360 176.666 -1.306 25483 8875 1 18 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.085 1.923 25483 8876 1 18 . 1 1 62 62 ILE CB C 62 39.569 39.569 37.629 1.940 25483 8877 1 18 . 1 1 62 62 ILE H H 62 9.066 9.066 7.999 1.067 25483 8878 1 18 . 1 1 63 63 GLY N N 63 116.263 116.263 119.092 -2.829 25483 8879 1 18 . 1 1 63 63 GLY C C 63 175.630 175.630 174.940 0.690 25483 8880 1 18 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.834 0.419 25483 8881 1 18 . 1 1 63 63 GLY H H 63 9.307 9.307 8.496 0.811 25483 8882 1 18 . 1 1 64 64 SER N N 64 122.053 122.053 118.149 3.904 25483 8883 1 18 . 1 1 64 64 SER HA H 64 4.566 4.566 4.807 -0.241 25483 8884 1 18 . 1 1 64 64 SER C C 64 173.891 173.891 173.605 0.286 25483 8885 1 18 . 1 1 64 64 SER CA C 64 59.071 59.071 57.927 1.144 25483 8886 1 18 . 1 1 64 64 SER CB C 64 63.895 63.895 64.438 -0.543 25483 8887 1 18 . 1 1 64 64 SER H H 64 9.236 9.236 8.383 0.853 25483 8888 1 18 . 1 1 65 65 VAL N N 65 124.553 124.553 122.244 2.309 25483 8889 1 18 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.393 -0.316 25483 8890 1 18 . 1 1 65 65 VAL C C 65 175.294 175.294 174.050 1.244 25483 8891 1 18 . 1 1 65 65 VAL CA C 65 62.735 62.735 59.647 3.088 25483 8892 1 18 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.495 -1.417 25483 8893 1 18 . 1 1 65 65 VAL H H 65 8.494 8.494 7.582 0.912 25483 8894 1 18 . 1 1 66 66 HIS N N 66 102.561 102.561 126.386 -23.825 25483 8895 1 18 . 1 1 66 66 HIS HA H 66 4.362 4.362 3.990 0.372 25483 8896 1 18 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.291 -0.679 25483 8897 1 18 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.975 -0.034 25483 8898 1 18 . 1 1 66 66 HIS H H 66 8.966 8.966 8.484 0.482 25483 8899 1 18 . 1 1 67 67 VAL N N 67 130.151 130.151 126.900 3.251 25483 8900 1 18 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.319 -0.889 25483 8901 1 18 . 1 1 67 67 VAL C C 67 174.677 174.677 175.838 -1.161 25483 8902 1 18 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.744 3.285 25483 8903 1 18 . 1 1 67 67 VAL CB C 67 32.426 32.426 33.820 -1.394 25483 8904 1 18 . 1 1 67 67 VAL H H 67 8.214 8.214 7.397 0.817 25483 8905 1 18 . 1 1 68 68 GLY N N 68 102.768 102.768 114.026 -11.258 25483 8906 1 18 . 1 1 68 68 GLY C C 68 173.023 173.023 174.485 -1.462 25483 8907 1 18 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.216 -3.436 25483 8908 1 18 . 1 1 68 68 GLY H H 68 6.436 6.436 8.843 -2.407 25483 8909 1 18 . 1 1 69 69 GLY N N 69 110.061 110.061 106.433 3.628 25483 8910 1 18 . 1 1 69 69 GLY C C 69 175.375 175.375 173.872 1.503 25483 8911 1 18 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.540 -0.617 25483 8912 1 18 . 1 1 69 69 GLY H H 69 9.004 9.004 7.326 1.678 25483 8913 1 18 . 1 1 70 70 SER N N 70 113.592 113.592 117.394 -3.802 25483 8914 1 18 . 1 1 70 70 SER HA H 70 3.894 3.894 3.977 -0.083 25483 8915 1 18 . 1 1 70 70 SER CA C 70 62.816 62.816 60.859 1.957 25483 8916 1 18 . 1 1 70 70 SER H H 70 8.088 8.088 8.474 -0.386 25483 8917 1 18 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.191 0.213 25483 8918 1 18 . 1 1 71 71 ASP C C 71 179.115 179.115 178.334 0.781 25483 8919 1 18 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.437 0.173 25483 8920 1 18 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.090 -0.765 25483 8921 1 18 . 1 1 72 72 ASP N N 72 119.325 119.325 119.625 -0.300 25483 8922 1 18 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.580 -0.234 25483 8923 1 18 . 1 1 72 72 ASP C C 72 177.816 177.816 178.540 -0.724 25483 8924 1 18 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.104 1.109 25483 8925 1 18 . 1 1 72 72 ASP CB C 72 41.409 41.409 41.027 0.382 25483 8926 1 18 . 1 1 72 72 ASP H H 72 7.232 7.232 7.461 -0.229 25483 8927 1 18 . 1 1 73 73 LEU N N 73 121.336 121.336 122.087 -0.751 25483 8928 1 18 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.955 -0.182 25483 8929 1 18 . 1 1 73 73 LEU C C 73 177.957 177.957 178.856 -0.899 25483 8930 1 18 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.748 -0.394 25483 8931 1 18 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.626 0.550 25483 8932 1 18 . 1 1 73 73 LEU H H 73 7.789 7.789 8.082 -0.293 25483 8933 1 18 . 1 1 74 74 TYR N N 74 116.570 116.570 116.357 0.213 25483 8934 1 18 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.223 -0.474 25483 8935 1 18 . 1 1 74 74 TYR C C 74 178.275 178.275 177.626 0.649 25483 8936 1 18 . 1 1 74 74 TYR CA C 74 62.698 62.698 59.599 3.099 25483 8937 1 18 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.660 -0.148 25483 8938 1 18 . 1 1 74 74 TYR H H 74 8.318 8.318 8.388 -0.070 25483 8939 1 18 . 1 1 75 75 ALA N N 75 122.593 122.593 123.037 -0.444 25483 8940 1 18 . 1 1 75 75 ALA HA H 75 4.255 4.255 4.056 0.199 25483 8941 1 18 . 1 1 75 75 ALA C C 75 180.162 180.162 179.228 0.934 25483 8942 1 18 . 1 1 75 75 ALA CA C 75 55.603 55.603 54.918 0.685 25483 8943 1 18 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.268 -0.639 25483 8944 1 18 . 1 1 75 75 ALA H H 75 8.082 8.082 7.485 0.597 25483 8945 1 18 . 1 1 76 76 LEU N N 76 116.647 116.647 118.880 -2.233 25483 8946 1 18 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.870 0.185 25483 8947 1 18 . 1 1 76 76 LEU C C 76 179.538 179.538 179.042 0.496 25483 8948 1 18 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.793 0.063 25483 8949 1 18 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.537 1.140 25483 8950 1 18 . 1 1 76 76 LEU H H 76 7.389 7.389 8.804 -1.415 25483 8951 1 18 . 1 1 77 77 GLU N N 77 121.342 121.342 118.875 2.467 25483 8952 1 18 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.953 0.644 25483 8953 1 18 . 1 1 77 77 GLU C C 77 179.674 179.674 178.707 0.967 25483 8954 1 18 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.358 -1.327 25483 8955 1 18 . 1 1 77 77 GLU CB C 77 28.117 28.117 28.895 -0.778 25483 8956 1 18 . 1 1 77 77 GLU H H 77 7.461 7.461 7.864 -0.403 25483 8957 1 18 . 1 1 78 78 ASP N N 78 123.339 123.339 118.676 4.663 25483 8958 1 18 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.402 0.049 25483 8959 1 18 . 1 1 78 78 ASP C C 78 178.412 178.412 178.150 0.262 25483 8960 1 18 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.825 0.645 25483 8961 1 18 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.871 -0.327 25483 8962 1 18 . 1 1 78 78 ASP H H 78 8.650 8.650 7.580 1.070 25483 8963 1 18 . 1 1 79 79 GLU N N 79 115.360 115.360 117.061 -1.701 25483 8964 1 18 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.183 0.149 25483 8965 1 18 . 1 1 79 79 GLU C C 79 176.861 176.861 177.865 -1.004 25483 8966 1 18 . 1 1 79 79 GLU CA C 79 56.315 56.315 56.626 -0.311 25483 8967 1 18 . 1 1 79 79 GLU CB C 79 30.701 30.701 29.973 0.728 25483 8968 1 18 . 1 1 79 79 GLU H H 79 7.791 7.791 7.813 -0.022 25483 8969 1 18 . 1 1 80 80 GLY N N 80 108.851 108.851 107.260 1.591 25483 8970 1 18 . 1 1 80 80 GLY C C 80 176.085 176.085 175.465 0.620 25483 8971 1 18 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.172 1.069 25483 8972 1 18 . 1 1 80 80 GLY H H 80 8.078 8.078 8.313 -0.235 25483 8973 1 18 . 1 1 81 81 LYS N N 81 116.858 116.858 119.883 -3.025 25483 8974 1 18 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.181 0.264 25483 8975 1 18 . 1 1 81 81 LYS C C 81 176.789 176.789 177.634 -0.845 25483 8976 1 18 . 1 1 81 81 LYS CA C 81 56.568 56.568 57.366 -0.798 25483 8977 1 18 . 1 1 81 81 LYS CB C 81 36.004 36.004 32.113 3.891 25483 8978 1 18 . 1 1 81 81 LYS H H 81 8.216 8.216 8.405 -0.189 25483 8979 1 18 . 1 1 82 82 LEU N N 82 122.543 122.543 118.105 4.438 25483 8980 1 18 . 1 1 82 82 LEU HA H 82 4.041 4.041 3.954 0.087 25483 8981 1 18 . 1 1 82 82 LEU C C 82 177.466 177.466 178.073 -0.607 25483 8982 1 18 . 1 1 82 82 LEU CA C 82 57.497 57.497 58.326 -0.829 25483 8983 1 18 . 1 1 82 82 LEU CB C 82 40.489 40.489 40.865 -0.376 25483 8984 1 18 . 1 1 82 82 LEU H H 82 7.516 7.516 7.537 -0.021 25483 8985 1 18 . 1 1 83 83 ASP N N 83 119.643 119.643 119.356 0.287 25483 8986 1 18 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.288 0.018 25483 8987 1 18 . 1 1 83 83 ASP C C 83 178.744 178.744 178.375 0.369 25483 8988 1 18 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.156 1.582 25483 8989 1 18 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.313 -0.359 25483 8990 1 18 . 1 1 83 83 ASP H H 83 8.662 8.662 7.803 0.859 25483 8991 1 18 . 1 1 84 84 SER N N 84 113.208 113.208 115.926 -2.718 25483 8992 1 18 . 1 1 84 84 SER HA H 84 4.266 4.266 4.212 0.054 25483 8993 1 18 . 1 1 84 84 SER C C 84 177.581 177.581 176.806 0.775 25483 8994 1 18 . 1 1 84 84 SER CA C 84 61.483 61.483 60.814 0.669 25483 8995 1 18 . 1 1 84 84 SER CB C 84 62.667 62.667 63.119 -0.452 25483 8996 1 18 . 1 1 84 84 SER H H 84 8.425 8.425 8.296 0.129 25483 8997 1 18 . 1 1 85 85 LEU N N 85 126.393 126.393 122.784 3.609 25483 8998 1 18 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.183 0.172 25483 8999 1 18 . 1 1 85 85 LEU C C 85 178.692 178.692 176.790 1.902 25483 9000 1 18 . 1 1 85 85 LEU CA C 85 58.409 58.409 58.100 0.309 25483 9001 1 18 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.523 -1.008 25483 9002 1 18 . 1 1 85 85 LEU H H 85 7.577 7.577 7.687 -0.110 25483 9003 1 18 . 1 1 86 86 LEU N N 86 117.833 117.833 112.851 4.982 25483 9004 1 18 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.287 -0.404 25483 9005 1 18 . 1 1 86 86 LEU C C 86 177.470 177.470 178.658 -1.188 25483 9006 1 18 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.581 1.200 25483 9007 1 18 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.423 0.379 25483 9008 1 18 . 1 1 86 86 LEU H H 86 8.406 8.406 8.188 0.218 25483 9009 1 18 . 1 1 87 87 LYS N N 87 113.997 113.997 117.646 -3.649 25483 9010 1 18 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.279 0.110 25483 9011 1 18 . 1 1 87 87 LYS C C 87 178.282 178.282 177.845 0.437 25483 9012 1 18 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.509 -0.175 25483 9013 1 18 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.516 0.397 25483 9014 1 18 . 1 1 87 87 LYS H H 87 7.548 7.548 7.673 -0.125 25483 9015 1 18 . 1 1 88 88 THR N N 88 106.050 106.050 109.931 -3.881 25483 9016 1 18 . 1 1 88 88 THR HA H 88 4.545 4.545 4.399 0.146 25483 9017 1 18 . 1 1 88 88 THR C C 88 176.566 176.566 173.710 2.856 25483 9018 1 18 . 1 1 88 88 THR CA C 88 62.396 62.396 62.323 0.073 25483 9019 1 18 . 1 1 88 88 THR CB C 88 72.438 72.438 71.817 0.621 25483 9020 1 18 . 1 1 88 88 THR H H 88 8.178 8.178 7.864 0.314 25483 9021 1 18 . 1 1 89 89 GLY N N 89 112.811 112.811 111.525 1.286 25483 9022 1 18 . 1 1 89 89 GLY C C 89 171.985 171.985 172.600 -0.615 25483 9023 1 18 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.380 1.435 25483 9024 1 18 . 1 1 89 89 GLY H H 89 9.153 9.153 7.870 1.283 25483 9025 1 18 . 1 1 90 90 LYS N N 90 117.650 117.650 120.642 -2.992 25483 9026 1 18 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.809 -0.299 25483 9027 1 18 . 1 1 90 90 LYS C C 90 174.330 174.330 176.608 -2.278 25483 9028 1 18 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.515 0.094 25483 9029 1 18 . 1 1 90 90 LYS CB C 90 35.701 35.701 35.620 0.081 25483 9030 1 18 . 1 1 90 90 LYS H H 90 7.940 7.940 7.837 0.103 25483 9031 1 18 . 1 1 91 91 LEU N N 91 123.149 123.149 122.622 0.527 25483 9032 1 18 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.334 0.135 25483 9033 1 18 . 1 1 91 91 LEU C C 91 175.848 175.848 178.058 -2.210 25483 9034 1 18 . 1 1 91 91 LEU CA C 91 54.600 54.600 56.641 -2.041 25483 9035 1 18 . 1 1 91 91 LEU CB C 91 43.011 43.011 41.961 1.050 25483 9036 1 18 . 1 1 91 91 LEU H H 91 8.501 8.501 8.548 -0.047 25483 9037 1 19 . 1 1 3 3 GLY N N 3 110.312 110.312 107.852 2.460 25483 9038 1 19 . 1 1 3 3 GLY C C 3 174.169 174.169 174.206 -0.037 25483 9039 1 19 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.620 0.855 25483 9040 1 19 . 1 1 3 3 GLY H H 3 8.679 8.679 8.287 0.392 25483 9041 1 19 . 1 1 4 4 SER N N 4 115.617 115.617 115.860 -0.243 25483 9042 1 19 . 1 1 4 4 SER HA H 4 4.499 4.499 4.573 -0.074 25483 9043 1 19 . 1 1 4 4 SER C C 4 174.408 174.408 174.050 0.358 25483 9044 1 19 . 1 1 4 4 SER CA C 4 58.541 58.541 58.464 0.077 25483 9045 1 19 . 1 1 4 4 SER CB C 4 63.920 63.920 63.968 -0.048 25483 9046 1 19 . 1 1 4 4 SER H H 4 8.237 8.237 8.284 -0.047 25483 9047 1 19 . 1 1 5 5 MET N N 5 121.390 121.390 118.728 2.662 25483 9048 1 19 . 1 1 5 5 MET HA H 5 4.702 4.702 4.797 -0.095 25483 9049 1 19 . 1 1 5 5 MET C C 5 176.122 176.122 174.793 1.329 25483 9050 1 19 . 1 1 5 5 MET CA C 5 55.600 55.600 54.748 0.852 25483 9051 1 19 . 1 1 5 5 MET CB C 5 34.357 34.357 34.642 -0.285 25483 9052 1 19 . 1 1 5 5 MET H H 5 8.309 8.309 7.911 0.398 25483 9053 1 19 . 1 1 6 6 VAL N N 6 117.990 117.990 118.765 -0.775 25483 9054 1 19 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.535 -0.334 25483 9055 1 19 . 1 1 6 6 VAL C C 6 174.450 174.450 174.760 -0.310 25483 9056 1 19 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.017 0.401 25483 9057 1 19 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.715 -0.130 25483 9058 1 19 . 1 1 6 6 VAL H H 6 8.175 8.175 8.623 -0.448 25483 9059 1 19 . 1 1 7 7 ASP N N 7 121.785 121.785 118.298 3.487 25483 9060 1 19 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.759 -0.191 25483 9061 1 19 . 1 1 7 7 ASP C C 7 175.866 175.866 174.222 1.644 25483 9062 1 19 . 1 1 7 7 ASP CA C 7 55.168 55.168 52.828 2.340 25483 9063 1 19 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.173 -1.574 25483 9064 1 19 . 1 1 7 7 ASP H H 7 8.332 8.332 8.384 -0.052 25483 9065 1 19 . 1 1 8 8 VAL N N 8 124.023 124.023 119.265 4.758 25483 9066 1 19 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.706 0.292 25483 9067 1 19 . 1 1 8 8 VAL C C 8 174.859 174.859 175.564 -0.705 25483 9068 1 19 . 1 1 8 8 VAL CA C 8 61.461 61.461 61.119 0.342 25483 9069 1 19 . 1 1 8 8 VAL CB C 8 33.321 33.321 33.828 -0.507 25483 9070 1 19 . 1 1 8 8 VAL H H 8 8.658 8.658 8.353 0.305 25483 9071 1 19 . 1 1 9 9 ILE N N 9 129.744 129.744 125.641 4.103 25483 9072 1 19 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.538 0.473 25483 9073 1 19 . 1 1 9 9 ILE C C 9 174.323 174.323 173.956 0.367 25483 9074 1 19 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.509 -0.812 25483 9075 1 19 . 1 1 9 9 ILE CB C 9 41.279 41.279 43.020 -1.741 25483 9076 1 19 . 1 1 9 9 ILE H H 9 9.306 9.306 8.788 0.518 25483 9077 1 19 . 1 1 10 10 ILE N N 10 123.657 123.657 121.948 1.709 25483 9078 1 19 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.135 0.264 25483 9079 1 19 . 1 1 10 10 ILE C C 10 173.066 173.066 173.729 -0.663 25483 9080 1 19 . 1 1 10 10 ILE CA C 10 58.489 58.489 59.155 -0.666 25483 9081 1 19 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.574 -0.777 25483 9082 1 19 . 1 1 10 10 ILE H H 10 8.734 8.734 8.607 0.127 25483 9083 1 19 . 1 1 11 11 TYR N N 11 128.973 128.973 128.511 0.462 25483 9084 1 19 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.738 0.949 25483 9085 1 19 . 1 1 11 11 TYR C C 11 176.756 176.756 174.564 2.192 25483 9086 1 19 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.336 -0.927 25483 9087 1 19 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.803 1.481 25483 9088 1 19 . 1 1 11 11 TYR H H 11 9.292 9.292 9.056 0.236 25483 9089 1 19 . 1 1 12 12 THR N N 12 112.725 112.725 117.248 -4.523 25483 9090 1 19 . 1 1 12 12 THR HA H 12 5.732 5.732 4.606 1.126 25483 9091 1 19 . 1 1 12 12 THR C C 12 172.866 172.866 172.965 -0.099 25483 9092 1 19 . 1 1 12 12 THR CA C 12 59.671 59.671 60.874 -1.203 25483 9093 1 19 . 1 1 12 12 THR CB C 12 72.735 72.735 70.925 1.810 25483 9094 1 19 . 1 1 12 12 THR H H 12 9.253 9.253 8.047 1.206 25483 9095 1 19 . 1 1 13 13 ARG N N 13 116.857 116.857 121.704 -4.847 25483 9096 1 19 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.439 0.346 25483 9097 1 19 . 1 1 13 13 ARG C C 13 173.407 173.407 175.161 -1.754 25483 9098 1 19 . 1 1 13 13 ARG CA C 13 53.254 53.254 55.063 -1.809 25483 9099 1 19 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.422 1.175 25483 9100 1 19 . 1 1 13 13 ARG H H 13 8.695 8.695 8.410 0.285 25483 9101 1 19 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.355 -0.194 25483 9102 1 19 . 1 1 14 14 PRO C C 14 177.642 177.642 176.961 0.681 25483 9103 1 19 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.091 -5.113 25483 9104 1 19 . 1 1 14 14 PRO CB C 14 30.197 30.197 29.954 0.243 25483 9105 1 19 . 1 1 15 15 GLY N N 15 108.958 108.958 113.696 -4.738 25483 9106 1 19 . 1 1 15 15 GLY C C 15 173.520 173.520 173.907 -0.387 25483 9107 1 19 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.138 0.895 25483 9108 1 19 . 1 1 15 15 GLY H H 15 8.534 8.534 8.605 -0.071 25483 9109 1 19 . 1 1 16 16 CYS N N 16 122.701 122.701 122.507 0.194 25483 9110 1 19 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.360 0.675 25483 9111 1 19 . 1 1 16 16 CYS C C 16 175.994 175.994 173.139 2.855 25483 9112 1 19 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.822 -4.604 25483 9113 1 19 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.240 4.474 25483 9114 1 19 . 1 1 16 16 CYS H H 16 7.476 7.476 8.856 -1.380 25483 9115 1 19 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.270 0.070 25483 9116 1 19 . 1 1 17 17 PRO C C 17 178.531 178.531 176.687 1.844 25483 9117 1 19 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.607 1.924 25483 9118 1 19 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.077 0.063 25483 9119 1 19 . 1 1 18 18 TYR N N 18 121.799 121.799 118.564 3.235 25483 9120 1 19 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.561 -0.139 25483 9121 1 19 . 1 1 18 18 TYR C C 18 178.508 178.508 175.519 2.989 25483 9122 1 19 . 1 1 18 18 TYR CA C 18 61.076 61.076 57.547 3.529 25483 9123 1 19 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.285 2.148 25483 9124 1 19 . 1 1 18 18 TYR H H 18 8.148 8.148 8.679 -0.531 25483 9125 1 19 . 1 1 19 19 CYS N N 19 122.966 122.966 115.773 7.193 25483 9126 1 19 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.872 -0.870 25483 9127 1 19 . 1 1 19 19 CYS C C 19 177.642 177.642 175.381 2.261 25483 9128 1 19 . 1 1 19 19 CYS CA C 19 64.471 64.471 55.838 8.633 25483 9129 1 19 . 1 1 19 19 CYS CB C 19 31.017 31.017 28.136 2.881 25483 9130 1 19 . 1 1 19 19 CYS H H 19 7.833 7.833 7.964 -0.131 25483 9131 1 19 . 1 1 20 20 ALA N N 20 121.738 121.738 125.006 -3.268 25483 9132 1 19 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.179 -0.029 25483 9133 1 19 . 1 1 20 20 ALA C C 20 180.531 180.531 179.203 1.328 25483 9134 1 19 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.284 1.300 25483 9135 1 19 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.884 -0.855 25483 9136 1 19 . 1 1 20 20 ALA H H 20 7.080 7.080 8.495 -1.415 25483 9137 1 19 . 1 1 21 21 ARG N N 21 119.812 119.812 119.374 0.438 25483 9138 1 19 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.112 0.130 25483 9139 1 19 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.706 -1.781 25483 9140 1 19 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.728 0.140 25483 9141 1 19 . 1 1 21 21 ARG H H 21 8.039 8.039 8.367 -0.328 25483 9142 1 19 . 1 1 22 22 ALA N N 22 124.459 124.459 121.167 3.292 25483 9143 1 19 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.688 0.452 25483 9144 1 19 . 1 1 22 22 ALA C C 22 178.267 178.267 179.335 -1.068 25483 9145 1 19 . 1 1 22 22 ALA CA C 22 55.671 55.671 55.060 0.611 25483 9146 1 19 . 1 1 22 22 ALA CB C 22 19.225 19.225 17.991 1.234 25483 9147 1 19 . 1 1 22 22 ALA H H 22 7.768 7.768 8.430 -0.661 25483 9148 1 19 . 1 1 23 23 LYS N N 23 116.014 116.014 117.575 -1.561 25483 9149 1 19 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.566 -0.265 25483 9150 1 19 . 1 1 23 23 LYS C C 23 177.995 177.995 178.576 -0.581 25483 9151 1 19 . 1 1 23 23 LYS CA C 23 60.722 60.722 58.198 2.524 25483 9152 1 19 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.815 -0.165 25483 9153 1 19 . 1 1 23 23 LYS H H 23 7.984 7.984 7.479 0.505 25483 9154 1 19 . 1 1 24 24 ALA N N 24 120.042 120.042 122.851 -2.809 25483 9155 1 19 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.120 0.090 25483 9156 1 19 . 1 1 24 24 ALA C C 24 180.610 180.610 179.857 0.753 25483 9157 1 19 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.955 -0.089 25483 9158 1 19 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.148 -0.212 25483 9159 1 19 . 1 1 24 24 ALA H H 24 8.040 8.040 7.672 0.368 25483 9160 1 19 . 1 1 25 25 LEU N N 25 119.514 119.514 119.432 0.082 25483 9161 1 19 . 1 1 25 25 LEU HA H 25 4.152 4.152 4.045 0.107 25483 9162 1 19 . 1 1 25 25 LEU C C 25 177.834 177.834 178.712 -0.878 25483 9163 1 19 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.547 0.141 25483 9164 1 19 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.693 -0.958 25483 9165 1 19 . 1 1 25 25 LEU H H 25 7.150 7.150 7.601 -0.451 25483 9166 1 19 . 1 1 26 26 LEU N N 26 117.253 117.253 118.634 -1.381 25483 9167 1 19 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.842 -0.089 25483 9168 1 19 . 1 1 26 26 LEU C C 26 178.553 178.553 178.903 -0.350 25483 9169 1 19 . 1 1 26 26 LEU CA C 26 58.475 58.475 58.326 0.149 25483 9170 1 19 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.332 -0.268 25483 9171 1 19 . 1 1 26 26 LEU H H 26 7.576 7.576 7.522 0.054 25483 9172 1 19 . 1 1 27 27 ALA N N 27 119.606 119.606 118.662 0.944 25483 9173 1 19 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.213 0.128 25483 9174 1 19 . 1 1 27 27 ALA C C 27 182.219 182.219 179.724 2.495 25483 9175 1 19 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.546 0.780 25483 9176 1 19 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.310 -0.202 25483 9177 1 19 . 1 1 27 27 ALA H H 27 8.629 8.629 7.903 0.726 25483 9178 1 19 . 1 1 28 28 ARG N N 28 121.081 121.081 119.227 1.854 25483 9179 1 19 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.225 -0.060 25483 9180 1 19 . 1 1 28 28 ARG C C 28 178.659 178.659 177.036 1.623 25483 9181 1 19 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.279 0.902 25483 9182 1 19 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.713 -0.793 25483 9183 1 19 . 1 1 28 28 ARG H H 28 7.992 7.992 7.945 0.047 25483 9184 1 19 . 1 1 29 29 LYS N N 29 115.790 115.790 116.317 -0.527 25483 9185 1 19 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.490 -0.256 25483 9186 1 19 . 1 1 29 29 LYS C C 29 176.666 176.666 176.294 0.372 25483 9187 1 19 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.442 -0.497 25483 9188 1 19 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.419 -0.978 25483 9189 1 19 . 1 1 29 29 LYS H H 29 7.663 7.663 7.431 0.232 25483 9190 1 19 . 1 1 30 30 GLY N N 30 107.767 107.767 108.954 -1.187 25483 9191 1 19 . 1 1 30 30 GLY C C 30 174.014 174.014 175.052 -1.038 25483 9192 1 19 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.814 -0.409 25483 9193 1 19 . 1 1 30 30 GLY H H 30 7.930 7.930 7.430 0.500 25483 9194 1 19 . 1 1 31 31 ALA N N 31 122.192 122.192 121.519 0.673 25483 9195 1 19 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.290 0.213 25483 9196 1 19 . 1 1 31 31 ALA C C 31 176.691 176.691 176.604 0.087 25483 9197 1 19 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.274 -0.643 25483 9198 1 19 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.202 -0.264 25483 9199 1 19 . 1 1 31 31 ALA H H 31 7.844 7.844 7.939 -0.095 25483 9200 1 19 . 1 1 32 32 GLU N N 32 123.903 123.903 121.950 1.953 25483 9201 1 19 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.190 0.045 25483 9202 1 19 . 1 1 32 32 GLU C C 32 176.080 176.080 175.308 0.772 25483 9203 1 19 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.917 -0.182 25483 9204 1 19 . 1 1 32 32 GLU CB C 32 29.777 29.777 31.211 -1.434 25483 9205 1 19 . 1 1 32 32 GLU H H 32 8.337 8.337 8.410 -0.073 25483 9206 1 19 . 1 1 33 33 PHE N N 33 116.634 116.634 119.874 -3.240 25483 9207 1 19 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.149 0.083 25483 9208 1 19 . 1 1 33 33 PHE C C 33 173.397 173.397 173.397 0.000 25483 9209 1 19 . 1 1 33 33 PHE CA C 33 55.221 55.221 55.918 -0.697 25483 9210 1 19 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.123 0.384 25483 9211 1 19 . 1 1 33 33 PHE H H 33 7.640 7.640 7.431 0.209 25483 9212 1 19 . 1 1 34 34 ASN N N 34 120.133 120.133 119.290 0.843 25483 9213 1 19 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.938 0.033 25483 9214 1 19 . 1 1 34 34 ASN C C 34 173.199 173.199 174.316 -1.117 25483 9215 1 19 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.861 -0.681 25483 9216 1 19 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.163 -1.323 25483 9217 1 19 . 1 1 34 34 ASN H H 34 8.921 8.921 8.609 0.312 25483 9218 1 19 . 1 1 35 35 GLU N N 35 126.204 126.204 124.380 1.824 25483 9219 1 19 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.871 0.307 25483 9220 1 19 . 1 1 35 35 GLU C C 35 175.185 175.185 176.184 -0.999 25483 9221 1 19 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.320 -1.769 25483 9222 1 19 . 1 1 35 35 GLU CB C 35 31.437 31.437 30.863 0.575 25483 9223 1 19 . 1 1 35 35 GLU H H 35 8.758 8.758 8.723 0.035 25483 9224 1 19 . 1 1 36 36 ILE N N 36 130.012 130.012 123.165 6.847 25483 9225 1 19 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.123 0.038 25483 9226 1 19 . 1 1 36 36 ILE C C 36 174.987 174.987 174.453 0.534 25483 9227 1 19 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.772 0.411 25483 9228 1 19 . 1 1 36 36 ILE CB C 36 40.273 40.273 39.232 1.041 25483 9229 1 19 . 1 1 36 36 ILE H H 36 9.080 9.080 7.956 1.124 25483 9230 1 19 . 1 1 37 37 ASP N N 37 125.921 125.921 126.803 -0.882 25483 9231 1 19 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.418 0.584 25483 9232 1 19 . 1 1 37 37 ASP C C 37 176.847 176.847 175.515 1.332 25483 9233 1 19 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.377 -1.498 25483 9234 1 19 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.112 -0.822 25483 9235 1 19 . 1 1 37 37 ASP H H 37 8.515 8.515 8.495 0.020 25483 9236 1 19 . 1 1 38 38 ALA N N 38 130.525 130.525 125.432 5.093 25483 9237 1 19 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.541 0.117 25483 9238 1 19 . 1 1 38 38 ALA C C 38 175.507 175.507 177.938 -2.431 25483 9239 1 19 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.197 0.723 25483 9240 1 19 . 1 1 38 38 ALA CB C 38 20.612 20.612 21.005 -0.393 25483 9241 1 19 . 1 1 38 38 ALA H H 38 8.845 8.845 7.655 1.190 25483 9242 1 19 . 1 1 39 39 SER N N 39 111.653 111.653 111.381 0.272 25483 9243 1 19 . 1 1 39 39 SER HA H 39 4.425 4.425 4.132 0.293 25483 9244 1 19 . 1 1 39 39 SER C C 39 176.988 176.988 174.027 2.961 25483 9245 1 19 . 1 1 39 39 SER CA C 39 59.504 59.504 59.760 -0.256 25483 9246 1 19 . 1 1 39 39 SER CB C 39 64.768 64.768 61.595 3.173 25483 9247 1 19 . 1 1 39 39 SER H H 39 8.727 8.727 8.985 -0.258 25483 9248 1 19 . 1 1 40 40 ALA N N 40 124.164 124.164 122.272 1.892 25483 9249 1 19 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.489 -0.260 25483 9250 1 19 . 1 1 40 40 ALA C C 40 178.039 178.039 176.993 1.046 25483 9251 1 19 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.880 1.967 25483 9252 1 19 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.549 -0.171 25483 9253 1 19 . 1 1 40 40 ALA H H 40 7.543 7.543 8.336 -0.793 25483 9254 1 19 . 1 1 41 41 THR N N 41 106.060 106.060 112.933 -6.873 25483 9255 1 19 . 1 1 41 41 THR HA H 41 5.006 5.006 4.856 0.150 25483 9256 1 19 . 1 1 41 41 THR C C 41 173.200 173.200 172.939 0.261 25483 9257 1 19 . 1 1 41 41 THR CA C 41 57.856 57.856 58.234 -0.378 25483 9258 1 19 . 1 1 41 41 THR CB C 41 70.541 70.541 70.147 0.394 25483 9259 1 19 . 1 1 41 41 THR H H 41 7.162 7.162 7.582 -0.420 25483 9260 1 19 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.443 -0.118 25483 9261 1 19 . 1 1 42 42 PRO C C 42 179.534 179.534 178.222 1.312 25483 9262 1 19 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.774 0.033 25483 9263 1 19 . 1 1 42 42 PRO CB C 42 31.741 31.741 31.988 -0.247 25483 9264 1 19 . 1 1 43 43 GLU N N 43 118.723 118.723 118.995 -0.272 25483 9265 1 19 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.217 -0.109 25483 9266 1 19 . 1 1 43 43 GLU C C 43 179.692 179.692 178.523 1.169 25483 9267 1 19 . 1 1 43 43 GLU CA C 43 60.721 60.721 58.380 2.341 25483 9268 1 19 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.273 -0.722 25483 9269 1 19 . 1 1 43 43 GLU H H 43 9.124 9.124 8.221 0.903 25483 9270 1 19 . 1 1 44 44 LEU N N 44 121.970 121.970 119.864 2.106 25483 9271 1 19 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.449 -0.109 25483 9272 1 19 . 1 1 44 44 LEU C C 44 178.924 178.924 178.591 0.333 25483 9273 1 19 . 1 1 44 44 LEU CA C 44 57.472 57.472 56.846 0.626 25483 9274 1 19 . 1 1 44 44 LEU CB C 44 42.432 42.432 42.265 0.167 25483 9275 1 19 . 1 1 44 44 LEU H H 44 7.838 7.838 7.456 0.382 25483 9276 1 19 . 1 1 45 45 ARG N N 45 122.130 122.130 119.553 2.577 25483 9277 1 19 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.903 0.190 25483 9278 1 19 . 1 1 45 45 ARG C C 45 178.955 178.955 178.062 0.893 25483 9279 1 19 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.367 0.757 25483 9280 1 19 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.169 -0.022 25483 9281 1 19 . 1 1 45 45 ARG H H 45 7.762 7.762 8.112 -0.350 25483 9282 1 19 . 1 1 46 46 ALA N N 46 121.165 121.165 121.367 -0.202 25483 9283 1 19 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.075 0.061 25483 9284 1 19 . 1 1 46 46 ALA C C 46 179.912 179.912 179.985 -0.073 25483 9285 1 19 . 1 1 46 46 ALA CA C 46 54.945 54.945 55.115 -0.170 25483 9286 1 19 . 1 1 46 46 ALA CB C 46 17.712 17.712 17.892 -0.180 25483 9287 1 19 . 1 1 46 46 ALA H H 46 8.160 8.160 7.784 0.376 25483 9288 1 19 . 1 1 47 47 GLU N N 47 120.906 120.906 118.638 2.268 25483 9289 1 19 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.058 -0.005 25483 9290 1 19 . 1 1 47 47 GLU C C 47 178.039 178.039 179.196 -1.157 25483 9291 1 19 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.165 0.335 25483 9292 1 19 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.366 0.445 25483 9293 1 19 . 1 1 47 47 GLU H H 47 7.918 7.918 7.699 0.219 25483 9294 1 19 . 1 1 48 48 MET N N 48 118.645 118.645 117.411 1.234 25483 9295 1 19 . 1 1 48 48 MET HA H 48 2.897 2.897 4.127 -1.230 25483 9296 1 19 . 1 1 48 48 MET C C 48 180.282 180.282 178.509 1.773 25483 9297 1 19 . 1 1 48 48 MET CA C 48 59.540 59.540 57.587 1.953 25483 9298 1 19 . 1 1 48 48 MET CB C 48 33.502 33.502 31.936 1.565 25483 9299 1 19 . 1 1 48 48 MET H H 48 8.047 8.047 7.502 0.545 25483 9300 1 19 . 1 1 49 49 GLN N N 49 122.104 122.104 117.439 4.665 25483 9301 1 19 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.186 0.153 25483 9302 1 19 . 1 1 49 49 GLN C C 49 178.780 178.780 179.288 -0.508 25483 9303 1 19 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.182 0.562 25483 9304 1 19 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.375 -0.137 25483 9305 1 19 . 1 1 49 49 GLN H H 49 8.237 8.237 8.057 0.180 25483 9306 1 19 . 1 1 50 50 GLU N N 50 121.947 121.947 120.714 1.233 25483 9307 1 19 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.152 -0.183 25483 9308 1 19 . 1 1 50 50 GLU C C 50 178.863 178.863 178.155 0.708 25483 9309 1 19 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.647 0.484 25483 9310 1 19 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.616 0.103 25483 9311 1 19 . 1 1 50 50 GLU H H 50 8.659 8.659 7.775 0.884 25483 9312 1 19 . 1 1 51 51 ARG N N 51 115.832 115.832 117.540 -1.708 25483 9313 1 19 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.545 -0.485 25483 9314 1 19 . 1 1 51 51 ARG C C 51 177.748 177.748 175.857 1.891 25483 9315 1 19 . 1 1 51 51 ARG CA C 51 58.480 58.480 54.583 3.897 25483 9316 1 19 . 1 1 51 51 ARG CB C 51 31.158 31.158 29.988 1.170 25483 9317 1 19 . 1 1 51 51 ARG H H 51 8.231 8.231 7.626 0.605 25483 9318 1 19 . 1 1 52 52 SER N N 52 109.790 109.790 114.995 -5.205 25483 9319 1 19 . 1 1 52 52 SER HA H 52 3.759 3.759 4.235 -0.476 25483 9320 1 19 . 1 1 52 52 SER C C 52 174.149 174.149 175.079 -0.930 25483 9321 1 19 . 1 1 52 52 SER CA C 52 58.883 58.883 59.743 -0.860 25483 9322 1 19 . 1 1 52 52 SER CB C 52 66.744 66.744 63.685 3.059 25483 9323 1 19 . 1 1 52 52 SER H H 52 8.032 8.032 7.308 0.724 25483 9324 1 19 . 1 1 53 53 GLY N N 53 112.524 112.524 114.239 -1.715 25483 9325 1 19 . 1 1 53 53 GLY C C 53 173.690 173.690 173.450 0.240 25483 9326 1 19 . 1 1 53 53 GLY CA C 53 46.093 46.093 45.650 0.443 25483 9327 1 19 . 1 1 53 53 GLY H H 53 8.239 8.239 8.487 -0.248 25483 9328 1 19 . 1 1 54 54 ARG N N 54 119.453 119.453 121.609 -2.156 25483 9329 1 19 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.475 0.178 25483 9330 1 19 . 1 1 54 54 ARG C C 54 174.144 174.144 175.375 -1.231 25483 9331 1 19 . 1 1 54 54 ARG CA C 54 54.660 54.660 55.646 -0.986 25483 9332 1 19 . 1 1 54 54 ARG CB C 54 35.255 35.255 31.810 3.445 25483 9333 1 19 . 1 1 54 54 ARG H H 54 8.309 8.309 8.289 0.020 25483 9334 1 19 . 1 1 55 55 ASN N N 55 112.521 112.521 123.376 -10.855 25483 9335 1 19 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.822 -0.129 25483 9336 1 19 . 1 1 55 55 ASN C C 55 175.197 175.197 175.462 -0.265 25483 9337 1 19 . 1 1 55 55 ASN CA C 55 51.681 51.681 53.068 -1.387 25483 9338 1 19 . 1 1 55 55 ASN CB C 55 39.468 39.468 38.068 1.400 25483 9339 1 19 . 1 1 55 55 ASN H H 55 8.154 8.154 8.768 -0.614 25483 9340 1 19 . 1 1 56 56 THR N N 56 107.919 107.919 113.747 -5.828 25483 9341 1 19 . 1 1 56 56 THR HA H 56 4.356 4.356 4.307 0.049 25483 9342 1 19 . 1 1 56 56 THR C C 56 172.477 172.477 174.675 -2.198 25483 9343 1 19 . 1 1 56 56 THR CA C 56 59.438 59.438 62.309 -2.871 25483 9344 1 19 . 1 1 56 56 THR CB C 56 70.636 70.636 70.285 0.351 25483 9345 1 19 . 1 1 56 56 THR H H 56 6.778 6.778 7.303 -0.525 25483 9346 1 19 . 1 1 57 57 PHE N N 57 117.789 117.789 118.769 -0.980 25483 9347 1 19 . 1 1 57 57 PHE HA H 57 4.725 4.725 5.215 -0.490 25483 9348 1 19 . 1 1 57 57 PHE C C 57 174.241 174.241 173.861 0.380 25483 9349 1 19 . 1 1 57 57 PHE CA C 57 55.088 55.088 53.246 1.842 25483 9350 1 19 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.842 4.664 25483 9351 1 19 . 1 1 57 57 PHE H H 57 8.469 8.469 6.962 1.507 25483 9352 1 19 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.558 1.055 25483 9353 1 19 . 1 1 58 58 PRO C C 58 177.062 177.062 175.991 1.071 25483 9354 1 19 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.922 0.260 25483 9355 1 19 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.084 3.377 25483 9356 1 19 . 1 1 59 59 GLN N N 59 112.113 112.113 116.834 -4.721 25483 9357 1 19 . 1 1 59 59 GLN HA H 59 4.820 4.820 5.357 -0.537 25483 9358 1 19 . 1 1 59 59 GLN C C 59 175.655 175.655 176.104 -0.449 25483 9359 1 19 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.389 0.778 25483 9360 1 19 . 1 1 59 59 GLN CB C 59 31.479 31.479 31.188 0.291 25483 9361 1 19 . 1 1 59 59 GLN H H 59 8.041 8.041 8.014 0.027 25483 9362 1 19 . 1 1 60 60 ILE N N 60 123.134 123.134 122.499 0.635 25483 9363 1 19 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.589 0.369 25483 9364 1 19 . 1 1 60 60 ILE C C 60 174.350 174.350 174.625 -0.275 25483 9365 1 19 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.383 1.791 25483 9366 1 19 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.677 1.151 25483 9367 1 19 . 1 1 60 60 ILE H H 60 8.940 8.940 7.843 1.097 25483 9368 1 19 . 1 1 61 61 PHE N N 61 128.163 128.163 122.068 6.095 25483 9369 1 19 . 1 1 61 61 PHE HA H 61 5.393 5.393 4.765 0.628 25483 9370 1 19 . 1 1 61 61 PHE C C 61 174.659 174.659 174.171 0.488 25483 9371 1 19 . 1 1 61 61 PHE CA C 61 56.646 56.646 57.110 -0.464 25483 9372 1 19 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.803 -2.068 25483 9373 1 19 . 1 1 61 61 PHE H H 61 9.645 9.645 8.883 0.762 25483 9374 1 19 . 1 1 62 62 ILE N N 62 122.592 122.592 117.776 4.816 25483 9375 1 19 . 1 1 62 62 ILE HA H 62 4.630 4.630 5.072 -0.442 25483 9376 1 19 . 1 1 62 62 ILE C C 62 175.360 175.360 176.181 -0.821 25483 9377 1 19 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.712 1.296 25483 9378 1 19 . 1 1 62 62 ILE CB C 62 39.569 39.569 40.115 -0.546 25483 9379 1 19 . 1 1 62 62 ILE H H 62 9.066 9.066 8.152 0.914 25483 9380 1 19 . 1 1 63 63 GLY N N 63 116.263 116.263 117.338 -1.075 25483 9381 1 19 . 1 1 63 63 GLY C C 63 175.630 175.630 174.744 0.886 25483 9382 1 19 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.564 0.689 25483 9383 1 19 . 1 1 63 63 GLY H H 63 9.307 9.307 8.351 0.956 25483 9384 1 19 . 1 1 64 64 SER N N 64 122.053 122.053 118.853 3.200 25483 9385 1 19 . 1 1 64 64 SER HA H 64 4.566 4.566 4.788 -0.222 25483 9386 1 19 . 1 1 64 64 SER C C 64 173.891 173.891 174.083 -0.192 25483 9387 1 19 . 1 1 64 64 SER CA C 64 59.071 59.071 57.748 1.323 25483 9388 1 19 . 1 1 64 64 SER CB C 64 63.895 63.895 63.720 0.175 25483 9389 1 19 . 1 1 64 64 SER H H 64 9.236 9.236 8.578 0.658 25483 9390 1 19 . 1 1 65 65 VAL N N 65 124.553 124.553 122.106 2.447 25483 9391 1 19 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.396 -0.319 25483 9392 1 19 . 1 1 65 65 VAL C C 65 175.294 175.294 174.278 1.016 25483 9393 1 19 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.116 1.619 25483 9394 1 19 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.895 -1.817 25483 9395 1 19 . 1 1 65 65 VAL H H 65 8.494 8.494 7.967 0.527 25483 9396 1 19 . 1 1 66 66 HIS N N 66 102.561 102.561 124.509 -21.948 25483 9397 1 19 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.320 0.042 25483 9398 1 19 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.706 -1.093 25483 9399 1 19 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.998 -0.057 25483 9400 1 19 . 1 1 66 66 HIS H H 66 8.966 8.966 8.608 0.358 25483 9401 1 19 . 1 1 67 67 VAL N N 67 130.151 130.151 125.401 4.750 25483 9402 1 19 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.252 -0.822 25483 9403 1 19 . 1 1 67 67 VAL C C 67 174.677 174.677 175.455 -0.778 25483 9404 1 19 . 1 1 67 67 VAL CA C 67 64.029 64.029 61.044 2.985 25483 9405 1 19 . 1 1 67 67 VAL CB C 67 32.426 32.426 34.404 -1.978 25483 9406 1 19 . 1 1 67 67 VAL H H 67 8.214 8.214 7.104 1.110 25483 9407 1 19 . 1 1 68 68 GLY N N 68 102.768 102.768 114.407 -11.639 25483 9408 1 19 . 1 1 68 68 GLY C C 68 173.023 173.023 174.408 -1.385 25483 9409 1 19 . 1 1 68 68 GLY CA C 68 43.780 43.780 47.441 -3.661 25483 9410 1 19 . 1 1 68 68 GLY H H 68 6.436 6.436 8.956 -2.520 25483 9411 1 19 . 1 1 69 69 GLY N N 69 110.061 110.061 105.182 4.879 25483 9412 1 19 . 1 1 69 69 GLY C C 69 175.375 175.375 174.477 0.898 25483 9413 1 19 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.830 -0.907 25483 9414 1 19 . 1 1 69 69 GLY H H 69 9.004 9.004 7.484 1.520 25483 9415 1 19 . 1 1 70 70 SER N N 70 113.592 113.592 116.791 -3.199 25483 9416 1 19 . 1 1 70 70 SER HA H 70 3.894 3.894 3.761 0.133 25483 9417 1 19 . 1 1 70 70 SER CA C 70 62.816 62.816 61.722 1.094 25483 9418 1 19 . 1 1 70 70 SER H H 70 8.088 8.088 8.311 -0.223 25483 9419 1 19 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.256 0.148 25483 9420 1 19 . 1 1 71 71 ASP C C 71 179.115 179.115 178.032 1.083 25483 9421 1 19 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.215 0.395 25483 9422 1 19 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.527 -1.202 25483 9423 1 19 . 1 1 72 72 ASP N N 72 119.325 119.325 119.833 -0.508 25483 9424 1 19 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.420 -0.074 25483 9425 1 19 . 1 1 72 72 ASP C C 72 177.816 177.816 178.577 -0.761 25483 9426 1 19 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.459 0.754 25483 9427 1 19 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.831 0.578 25483 9428 1 19 . 1 1 72 72 ASP H H 72 7.232 7.232 7.525 -0.293 25483 9429 1 19 . 1 1 73 73 LEU N N 73 121.336 121.336 121.229 0.107 25483 9430 1 19 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.853 -0.080 25483 9431 1 19 . 1 1 73 73 LEU C C 73 177.957 177.957 178.646 -0.689 25483 9432 1 19 . 1 1 73 73 LEU CA C 73 58.354 58.354 57.837 0.517 25483 9433 1 19 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.530 0.646 25483 9434 1 19 . 1 1 73 73 LEU H H 73 7.789 7.789 7.761 0.028 25483 9435 1 19 . 1 1 74 74 TYR N N 74 116.570 116.570 117.515 -0.945 25483 9436 1 19 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.251 -0.502 25483 9437 1 19 . 1 1 74 74 TYR C C 74 178.275 178.275 177.683 0.592 25483 9438 1 19 . 1 1 74 74 TYR CA C 74 62.698 62.698 60.482 2.216 25483 9439 1 19 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.733 -0.221 25483 9440 1 19 . 1 1 74 74 TYR H H 74 8.318 8.318 8.207 0.111 25483 9441 1 19 . 1 1 75 75 ALA N N 75 122.593 122.593 123.193 -0.600 25483 9442 1 19 . 1 1 75 75 ALA HA H 75 4.255 4.255 4.031 0.224 25483 9443 1 19 . 1 1 75 75 ALA C C 75 180.162 180.162 179.692 0.470 25483 9444 1 19 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.222 0.381 25483 9445 1 19 . 1 1 75 75 ALA CB C 75 17.629 17.629 17.983 -0.354 25483 9446 1 19 . 1 1 75 75 ALA H H 75 8.082 8.082 7.784 0.298 25483 9447 1 19 . 1 1 76 76 LEU N N 76 116.647 116.647 118.542 -1.895 25483 9448 1 19 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.951 0.103 25483 9449 1 19 . 1 1 76 76 LEU C C 76 179.538 179.538 178.897 0.641 25483 9450 1 19 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.855 0.001 25483 9451 1 19 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.400 1.277 25483 9452 1 19 . 1 1 76 76 LEU H H 76 7.389 7.389 8.297 -0.908 25483 9453 1 19 . 1 1 77 77 GLU N N 77 121.342 121.342 120.137 1.205 25483 9454 1 19 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.963 0.634 25483 9455 1 19 . 1 1 77 77 GLU C C 77 179.674 179.674 179.088 0.586 25483 9456 1 19 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.624 -1.593 25483 9457 1 19 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.207 -1.090 25483 9458 1 19 . 1 1 77 77 GLU H H 77 7.461 7.461 7.581 -0.120 25483 9459 1 19 . 1 1 78 78 ASP N N 78 123.339 123.339 119.138 4.201 25483 9460 1 19 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.470 -0.019 25483 9461 1 19 . 1 1 78 78 ASP C C 78 178.412 178.412 178.520 -0.108 25483 9462 1 19 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.850 0.620 25483 9463 1 19 . 1 1 78 78 ASP CB C 78 40.544 40.544 41.059 -0.515 25483 9464 1 19 . 1 1 78 78 ASP H H 78 8.650 8.650 8.101 0.549 25483 9465 1 19 . 1 1 79 79 GLU N N 79 115.360 115.360 117.116 -1.756 25483 9466 1 19 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.202 0.130 25483 9467 1 19 . 1 1 79 79 GLU C C 79 176.861 176.861 177.810 -0.949 25483 9468 1 19 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.070 -0.755 25483 9469 1 19 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.408 0.293 25483 9470 1 19 . 1 1 79 79 GLU H H 79 7.791 7.791 8.113 -0.322 25483 9471 1 19 . 1 1 80 80 GLY N N 80 108.851 108.851 107.600 1.251 25483 9472 1 19 . 1 1 80 80 GLY C C 80 176.085 176.085 174.398 1.687 25483 9473 1 19 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.388 0.853 25483 9474 1 19 . 1 1 80 80 GLY H H 80 8.078 8.078 8.004 0.074 25483 9475 1 19 . 1 1 81 81 LYS N N 81 116.858 116.858 118.697 -1.839 25483 9476 1 19 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.664 -0.219 25483 9477 1 19 . 1 1 81 81 LYS C C 81 176.789 176.789 176.551 0.238 25483 9478 1 19 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.368 1.200 25483 9479 1 19 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.070 2.934 25483 9480 1 19 . 1 1 81 81 LYS H H 81 8.216 8.216 8.250 -0.034 25483 9481 1 19 . 1 1 82 82 LEU N N 82 122.543 122.543 118.947 3.596 25483 9482 1 19 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.111 -0.070 25483 9483 1 19 . 1 1 82 82 LEU C C 82 177.466 177.466 177.409 0.057 25483 9484 1 19 . 1 1 82 82 LEU CA C 82 57.497 57.497 58.057 -0.560 25483 9485 1 19 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.513 -1.024 25483 9486 1 19 . 1 1 82 82 LEU H H 82 7.516 7.516 7.838 -0.322 25483 9487 1 19 . 1 1 83 83 ASP N N 83 119.643 119.643 120.341 -0.698 25483 9488 1 19 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.319 -0.013 25483 9489 1 19 . 1 1 83 83 ASP C C 83 178.744 178.744 177.890 0.854 25483 9490 1 19 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.602 1.136 25483 9491 1 19 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.292 -0.338 25483 9492 1 19 . 1 1 83 83 ASP H H 83 8.662 8.662 8.795 -0.133 25483 9493 1 19 . 1 1 84 84 SER N N 84 113.208 113.208 114.323 -1.115 25483 9494 1 19 . 1 1 84 84 SER HA H 84 4.266 4.266 4.417 -0.151 25483 9495 1 19 . 1 1 84 84 SER C C 84 177.581 177.581 175.815 1.766 25483 9496 1 19 . 1 1 84 84 SER CA C 84 61.483 61.483 60.423 1.060 25483 9497 1 19 . 1 1 84 84 SER CB C 84 62.667 62.667 63.087 -0.420 25483 9498 1 19 . 1 1 84 84 SER H H 84 8.425 8.425 8.221 0.204 25483 9499 1 19 . 1 1 85 85 LEU N N 85 126.393 126.393 123.991 2.402 25483 9500 1 19 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.245 0.110 25483 9501 1 19 . 1 1 85 85 LEU C C 85 178.692 178.692 177.938 0.754 25483 9502 1 19 . 1 1 85 85 LEU CA C 85 58.409 58.409 57.796 0.613 25483 9503 1 19 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.032 -0.517 25483 9504 1 19 . 1 1 85 85 LEU H H 85 7.577 7.577 7.287 0.290 25483 9505 1 19 . 1 1 86 86 LEU N N 86 117.833 117.833 113.236 4.597 25483 9506 1 19 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.450 -0.567 25483 9507 1 19 . 1 1 86 86 LEU C C 86 177.470 177.470 177.921 -0.451 25483 9508 1 19 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.804 0.976 25483 9509 1 19 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.609 0.193 25483 9510 1 19 . 1 1 86 86 LEU H H 86 8.406 8.406 8.171 0.235 25483 9511 1 19 . 1 1 87 87 LYS N N 87 113.997 113.997 117.322 -3.325 25483 9512 1 19 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.202 0.187 25483 9513 1 19 . 1 1 87 87 LYS C C 87 178.282 178.282 177.434 0.848 25483 9514 1 19 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.307 0.027 25483 9515 1 19 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.517 0.396 25483 9516 1 19 . 1 1 87 87 LYS H H 87 7.548 7.548 7.779 -0.231 25483 9517 1 19 . 1 1 88 88 THR N N 88 106.050 106.050 106.378 -0.328 25483 9518 1 19 . 1 1 88 88 THR HA H 88 4.545 4.545 4.526 0.019 25483 9519 1 19 . 1 1 88 88 THR C C 88 176.566 176.566 175.053 1.513 25483 9520 1 19 . 1 1 88 88 THR CA C 88 62.396 62.396 62.123 0.273 25483 9521 1 19 . 1 1 88 88 THR CB C 88 72.438 72.438 71.982 0.456 25483 9522 1 19 . 1 1 88 88 THR H H 88 8.178 8.178 7.974 0.204 25483 9523 1 19 . 1 1 89 89 GLY N N 89 112.811 112.811 111.795 1.016 25483 9524 1 19 . 1 1 89 89 GLY C C 89 171.985 171.985 173.540 -1.555 25483 9525 1 19 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.281 1.535 25483 9526 1 19 . 1 1 89 89 GLY H H 89 9.153 9.153 8.385 0.768 25483 9527 1 19 . 1 1 90 90 LYS N N 90 117.650 117.650 118.696 -1.046 25483 9528 1 19 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.420 0.090 25483 9529 1 19 . 1 1 90 90 LYS C C 90 174.330 174.330 176.337 -2.007 25483 9530 1 19 . 1 1 90 90 LYS CA C 90 54.609 54.609 55.644 -1.035 25483 9531 1 19 . 1 1 90 90 LYS CB C 90 35.701 35.701 33.584 2.117 25483 9532 1 19 . 1 1 90 90 LYS H H 90 7.940 7.940 7.300 0.640 25483 9533 1 19 . 1 1 91 91 LEU N N 91 123.149 123.149 114.878 8.271 25483 9534 1 19 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.616 -0.147 25483 9535 1 19 . 1 1 91 91 LEU C C 91 175.848 175.848 176.902 -1.054 25483 9536 1 19 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.371 -0.771 25483 9537 1 19 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.177 0.834 25483 9538 1 19 . 1 1 91 91 LEU H H 91 8.501 8.501 8.357 0.144 25483 9539 1 20 . 1 1 3 3 GLY N N 3 110.312 110.312 107.717 2.595 25483 9540 1 20 . 1 1 3 3 GLY C C 3 174.169 174.169 173.859 0.310 25483 9541 1 20 . 1 1 3 3 GLY CA C 3 45.475 45.475 45.063 0.412 25483 9542 1 20 . 1 1 3 3 GLY H H 3 8.679 8.679 8.061 0.618 25483 9543 1 20 . 1 1 4 4 SER N N 4 115.617 115.617 116.101 -0.484 25483 9544 1 20 . 1 1 4 4 SER HA H 4 4.499 4.499 4.638 -0.139 25483 9545 1 20 . 1 1 4 4 SER C C 4 174.408 174.408 173.893 0.515 25483 9546 1 20 . 1 1 4 4 SER CA C 4 58.541 58.541 58.248 0.293 25483 9547 1 20 . 1 1 4 4 SER CB C 4 63.920 63.920 63.495 0.425 25483 9548 1 20 . 1 1 4 4 SER H H 4 8.237 8.237 8.361 -0.124 25483 9549 1 20 . 1 1 5 5 MET N N 5 121.390 121.390 120.713 0.677 25483 9550 1 20 . 1 1 5 5 MET HA H 5 4.702 4.702 4.632 0.070 25483 9551 1 20 . 1 1 5 5 MET C C 5 176.122 176.122 175.852 0.270 25483 9552 1 20 . 1 1 5 5 MET CA C 5 55.600 55.600 54.467 1.133 25483 9553 1 20 . 1 1 5 5 MET CB C 5 34.357 34.357 34.625 -0.268 25483 9554 1 20 . 1 1 5 5 MET H H 5 8.309 8.309 7.476 0.833 25483 9555 1 20 . 1 1 6 6 VAL N N 6 117.990 117.990 116.258 1.732 25483 9556 1 20 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.596 -0.395 25483 9557 1 20 . 1 1 6 6 VAL C C 6 174.450 174.450 174.384 0.066 25483 9558 1 20 . 1 1 6 6 VAL CA C 6 61.418 61.418 60.053 1.365 25483 9559 1 20 . 1 1 6 6 VAL CB C 6 32.585 32.585 34.855 -2.270 25483 9560 1 20 . 1 1 6 6 VAL H H 6 8.175 8.175 8.211 -0.036 25483 9561 1 20 . 1 1 7 7 ASP N N 7 121.785 121.785 119.429 2.356 25483 9562 1 20 . 1 1 7 7 ASP HA H 7 4.568 4.568 5.033 -0.465 25483 9563 1 20 . 1 1 7 7 ASP C C 7 175.866 175.866 175.467 0.399 25483 9564 1 20 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.189 1.979 25483 9565 1 20 . 1 1 7 7 ASP CB C 7 41.599 41.599 44.450 -2.851 25483 9566 1 20 . 1 1 7 7 ASP H H 7 8.332 8.332 8.205 0.127 25483 9567 1 20 . 1 1 8 8 VAL N N 8 124.023 124.023 120.145 3.878 25483 9568 1 20 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.943 0.055 25483 9569 1 20 . 1 1 8 8 VAL C C 8 174.859 174.859 176.174 -1.315 25483 9570 1 20 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.510 -1.049 25483 9571 1 20 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.880 0.441 25483 9572 1 20 . 1 1 8 8 VAL H H 8 8.658 8.658 8.568 0.090 25483 9573 1 20 . 1 1 9 9 ILE N N 9 129.744 129.744 125.487 4.257 25483 9574 1 20 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.505 0.506 25483 9575 1 20 . 1 1 9 9 ILE C C 9 174.323 174.323 174.265 0.058 25483 9576 1 20 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.506 -0.809 25483 9577 1 20 . 1 1 9 9 ILE CB C 9 41.279 41.279 41.640 -0.361 25483 9578 1 20 . 1 1 9 9 ILE H H 9 9.306 9.306 8.910 0.396 25483 9579 1 20 . 1 1 10 10 ILE N N 10 123.657 123.657 125.708 -2.051 25483 9580 1 20 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.105 0.294 25483 9581 1 20 . 1 1 10 10 ILE C C 10 173.066 173.066 174.204 -1.138 25483 9582 1 20 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.656 -0.167 25483 9583 1 20 . 1 1 10 10 ILE CB C 10 41.797 41.797 41.895 -0.098 25483 9584 1 20 . 1 1 10 10 ILE H H 10 8.734 8.734 8.664 0.070 25483 9585 1 20 . 1 1 11 11 TYR N N 11 128.973 128.973 128.987 -0.014 25483 9586 1 20 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.728 0.959 25483 9587 1 20 . 1 1 11 11 TYR C C 11 176.756 176.756 174.546 2.210 25483 9588 1 20 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.723 -1.315 25483 9589 1 20 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.869 1.415 25483 9590 1 20 . 1 1 11 11 TYR H H 11 9.292 9.292 8.898 0.394 25483 9591 1 20 . 1 1 12 12 THR N N 12 112.725 112.725 116.662 -3.937 25483 9592 1 20 . 1 1 12 12 THR HA H 12 5.732 5.732 4.516 1.216 25483 9593 1 20 . 1 1 12 12 THR C C 12 172.866 172.866 172.656 0.210 25483 9594 1 20 . 1 1 12 12 THR CA C 12 59.671 59.671 60.748 -1.077 25483 9595 1 20 . 1 1 12 12 THR CB C 12 72.735 72.735 71.037 1.698 25483 9596 1 20 . 1 1 12 12 THR H H 12 9.253 9.253 7.685 1.568 25483 9597 1 20 . 1 1 13 13 ARG N N 13 116.857 116.857 121.898 -5.041 25483 9598 1 20 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.586 0.199 25483 9599 1 20 . 1 1 13 13 ARG C C 13 173.407 173.407 175.440 -2.033 25483 9600 1 20 . 1 1 13 13 ARG CA C 13 53.254 53.254 55.001 -1.747 25483 9601 1 20 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.265 1.332 25483 9602 1 20 . 1 1 13 13 ARG H H 13 8.695 8.695 8.557 0.138 25483 9603 1 20 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.728 -0.567 25483 9604 1 20 . 1 1 14 14 PRO C C 14 177.642 177.642 177.153 0.489 25483 9605 1 20 . 1 1 14 14 PRO CA C 14 57.978 57.978 64.260 -6.282 25483 9606 1 20 . 1 1 14 14 PRO CB C 14 30.197 30.197 32.472 -2.275 25483 9607 1 20 . 1 1 15 15 GLY N N 15 108.958 108.958 105.657 3.301 25483 9608 1 20 . 1 1 15 15 GLY C C 15 173.520 173.520 174.154 -0.634 25483 9609 1 20 . 1 1 15 15 GLY CA C 15 46.033 46.033 44.846 1.187 25483 9610 1 20 . 1 1 15 15 GLY H H 15 8.534 8.534 8.367 0.167 25483 9611 1 20 . 1 1 16 16 CYS N N 16 122.701 122.701 120.706 1.995 25483 9612 1 20 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.773 0.262 25483 9613 1 20 . 1 1 16 16 CYS C C 16 175.994 175.994 175.151 0.843 25483 9614 1 20 . 1 1 16 16 CYS CA C 16 55.218 55.218 57.507 -2.289 25483 9615 1 20 . 1 1 16 16 CYS CB C 16 31.714 31.714 26.528 5.186 25483 9616 1 20 . 1 1 16 16 CYS H H 16 7.476 7.476 8.011 -0.535 25483 9617 1 20 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.220 0.120 25483 9618 1 20 . 1 1 17 17 PRO C C 17 178.531 178.531 176.343 2.188 25483 9619 1 20 . 1 1 17 17 PRO CA C 17 64.531 64.531 64.426 0.105 25483 9620 1 20 . 1 1 17 17 PRO CB C 17 32.140 32.140 31.583 0.557 25483 9621 1 20 . 1 1 18 18 TYR N N 18 121.799 121.799 116.319 5.480 25483 9622 1 20 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.847 -0.425 25483 9623 1 20 . 1 1 18 18 TYR C C 18 178.508 178.508 175.123 3.385 25483 9624 1 20 . 1 1 18 18 TYR CA C 18 61.076 61.076 54.245 6.831 25483 9625 1 20 . 1 1 18 18 TYR CB C 18 38.433 38.433 35.894 2.539 25483 9626 1 20 . 1 1 18 18 TYR H H 18 8.148 8.148 8.925 -0.777 25483 9627 1 20 . 1 1 19 19 CYS N N 19 122.966 122.966 121.946 1.020 25483 9628 1 20 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.502 -0.500 25483 9629 1 20 . 1 1 19 19 CYS C C 19 177.642 177.642 174.936 2.706 25483 9630 1 20 . 1 1 19 19 CYS CA C 19 64.471 64.471 57.542 6.929 25483 9631 1 20 . 1 1 19 19 CYS CB C 19 31.017 31.017 25.568 5.449 25483 9632 1 20 . 1 1 19 19 CYS H H 19 7.833 7.833 8.231 -0.398 25483 9633 1 20 . 1 1 20 20 ALA N N 20 121.738 121.738 124.215 -2.477 25483 9634 1 20 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.298 -0.148 25483 9635 1 20 . 1 1 20 20 ALA C C 20 180.531 180.531 179.051 1.480 25483 9636 1 20 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.318 1.266 25483 9637 1 20 . 1 1 20 20 ALA CB C 20 18.029 18.029 19.102 -1.073 25483 9638 1 20 . 1 1 20 20 ALA H H 20 7.080 7.080 7.747 -0.667 25483 9639 1 20 . 1 1 21 21 ARG N N 21 119.812 119.812 118.464 1.348 25483 9640 1 20 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.120 0.122 25483 9641 1 20 . 1 1 21 21 ARG CA C 21 57.925 57.925 58.481 -0.556 25483 9642 1 20 . 1 1 21 21 ARG CB C 21 29.868 29.868 28.829 1.039 25483 9643 1 20 . 1 1 21 21 ARG H H 21 8.039 8.039 7.909 0.130 25483 9644 1 20 . 1 1 22 22 ALA N N 22 124.459 124.459 121.821 2.638 25483 9645 1 20 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.958 0.182 25483 9646 1 20 . 1 1 22 22 ALA C C 22 178.267 178.267 179.472 -1.205 25483 9647 1 20 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.697 0.974 25483 9648 1 20 . 1 1 22 22 ALA CB C 22 19.225 19.225 17.887 1.338 25483 9649 1 20 . 1 1 22 22 ALA H H 22 7.768 7.768 8.353 -0.585 25483 9650 1 20 . 1 1 23 23 LYS N N 23 116.014 116.014 117.718 -1.704 25483 9651 1 20 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.583 -0.282 25483 9652 1 20 . 1 1 23 23 LYS C C 23 177.995 177.995 178.425 -0.430 25483 9653 1 20 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.909 2.813 25483 9654 1 20 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.679 -0.029 25483 9655 1 20 . 1 1 23 23 LYS H H 23 7.984 7.984 7.447 0.537 25483 9656 1 20 . 1 1 24 24 ALA N N 24 120.042 120.042 123.035 -2.993 25483 9657 1 20 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.059 0.151 25483 9658 1 20 . 1 1 24 24 ALA C C 24 180.610 180.610 179.581 1.029 25483 9659 1 20 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.916 -0.051 25483 9660 1 20 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.049 -0.112 25483 9661 1 20 . 1 1 24 24 ALA H H 24 8.040 8.040 7.831 0.209 25483 9662 1 20 . 1 1 25 25 LEU N N 25 119.514 119.514 119.257 0.257 25483 9663 1 20 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.970 0.182 25483 9664 1 20 . 1 1 25 25 LEU C C 25 177.834 177.834 178.707 -0.873 25483 9665 1 20 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.440 0.248 25483 9666 1 20 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.599 -0.864 25483 9667 1 20 . 1 1 25 25 LEU H H 25 7.150 7.150 7.352 -0.202 25483 9668 1 20 . 1 1 26 26 LEU N N 26 117.253 117.253 118.466 -1.213 25483 9669 1 20 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.770 -0.017 25483 9670 1 20 . 1 1 26 26 LEU C C 26 178.553 178.553 178.759 -0.206 25483 9671 1 20 . 1 1 26 26 LEU CA C 26 58.475 58.475 58.276 0.199 25483 9672 1 20 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.379 -0.315 25483 9673 1 20 . 1 1 26 26 LEU H H 26 7.576 7.576 7.411 0.165 25483 9674 1 20 . 1 1 27 27 ALA N N 27 119.606 119.606 118.361 1.245 25483 9675 1 20 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.198 0.143 25483 9676 1 20 . 1 1 27 27 ALA C C 27 182.219 182.219 179.800 2.419 25483 9677 1 20 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.385 0.941 25483 9678 1 20 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.294 -0.186 25483 9679 1 20 . 1 1 27 27 ALA H H 27 8.629 8.629 8.024 0.605 25483 9680 1 20 . 1 1 28 28 ARG N N 28 121.081 121.081 119.688 1.393 25483 9681 1 20 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.203 -0.038 25483 9682 1 20 . 1 1 28 28 ARG C C 28 178.659 178.659 177.356 1.303 25483 9683 1 20 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.305 0.876 25483 9684 1 20 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.681 -0.761 25483 9685 1 20 . 1 1 28 28 ARG H H 28 7.992 7.992 7.869 0.123 25483 9686 1 20 . 1 1 29 29 LYS N N 29 115.790 115.790 115.954 -0.164 25483 9687 1 20 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.496 -0.262 25483 9688 1 20 . 1 1 29 29 LYS C C 29 176.666 176.666 176.254 0.412 25483 9689 1 20 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.514 -0.569 25483 9690 1 20 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.266 -0.825 25483 9691 1 20 . 1 1 29 29 LYS H H 29 7.663 7.663 7.462 0.201 25483 9692 1 20 . 1 1 30 30 GLY N N 30 107.767 107.767 109.027 -1.260 25483 9693 1 20 . 1 1 30 30 GLY C C 30 174.014 174.014 175.029 -1.015 25483 9694 1 20 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.843 -0.438 25483 9695 1 20 . 1 1 30 30 GLY H H 30 7.930 7.930 7.438 0.492 25483 9696 1 20 . 1 1 31 31 ALA N N 31 122.192 122.192 121.311 0.881 25483 9697 1 20 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.258 0.245 25483 9698 1 20 . 1 1 31 31 ALA C C 31 176.691 176.691 176.655 0.036 25483 9699 1 20 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.260 -0.629 25483 9700 1 20 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.509 -0.571 25483 9701 1 20 . 1 1 31 31 ALA H H 31 7.844 7.844 8.151 -0.307 25483 9702 1 20 . 1 1 32 32 GLU N N 32 123.903 123.903 119.320 4.583 25483 9703 1 20 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.461 -0.226 25483 9704 1 20 . 1 1 32 32 GLU C C 32 176.080 176.080 175.354 0.726 25483 9705 1 20 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.659 0.076 25483 9706 1 20 . 1 1 32 32 GLU CB C 32 29.777 29.777 32.286 -2.509 25483 9707 1 20 . 1 1 32 32 GLU H H 32 8.337 8.337 8.566 -0.229 25483 9708 1 20 . 1 1 33 33 PHE N N 33 116.634 116.634 115.296 1.338 25483 9709 1 20 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.133 0.099 25483 9710 1 20 . 1 1 33 33 PHE C C 33 173.397 173.397 173.469 -0.072 25483 9711 1 20 . 1 1 33 33 PHE CA C 33 55.221 55.221 56.690 -1.469 25483 9712 1 20 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.371 0.137 25483 9713 1 20 . 1 1 33 33 PHE H H 33 7.640 7.640 7.666 -0.026 25483 9714 1 20 . 1 1 34 34 ASN N N 34 120.133 120.133 119.139 0.994 25483 9715 1 20 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.839 0.132 25483 9716 1 20 . 1 1 34 34 ASN C C 34 173.199 173.199 174.068 -0.869 25483 9717 1 20 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.100 0.080 25483 9718 1 20 . 1 1 34 34 ASN CB C 34 39.840 39.840 40.972 -1.132 25483 9719 1 20 . 1 1 34 34 ASN H H 34 8.921 8.921 8.468 0.453 25483 9720 1 20 . 1 1 35 35 GLU N N 35 126.204 126.204 123.717 2.487 25483 9721 1 20 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.978 0.200 25483 9722 1 20 . 1 1 35 35 GLU C C 35 175.185 175.185 175.787 -0.602 25483 9723 1 20 . 1 1 35 35 GLU CA C 35 54.551 54.551 55.913 -1.362 25483 9724 1 20 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.554 -0.117 25483 9725 1 20 . 1 1 35 35 GLU H H 35 8.758 8.758 8.611 0.147 25483 9726 1 20 . 1 1 36 36 ILE N N 36 130.012 130.012 122.305 7.707 25483 9727 1 20 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.136 0.025 25483 9728 1 20 . 1 1 36 36 ILE C C 36 174.987 174.987 174.672 0.315 25483 9729 1 20 . 1 1 36 36 ILE CA C 36 60.183 60.183 60.094 0.088 25483 9730 1 20 . 1 1 36 36 ILE CB C 36 40.273 40.273 40.577 -0.304 25483 9731 1 20 . 1 1 36 36 ILE H H 36 9.080 9.080 7.977 1.103 25483 9732 1 20 . 1 1 37 37 ASP N N 37 125.921 125.921 128.982 -3.061 25483 9733 1 20 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.647 0.355 25483 9734 1 20 . 1 1 37 37 ASP C C 37 176.847 176.847 175.652 1.195 25483 9735 1 20 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.002 -1.123 25483 9736 1 20 . 1 1 37 37 ASP CB C 37 39.290 39.290 39.629 -0.339 25483 9737 1 20 . 1 1 37 37 ASP H H 37 8.515 8.515 8.617 -0.102 25483 9738 1 20 . 1 1 38 38 ALA N N 38 130.525 130.525 125.675 4.850 25483 9739 1 20 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.432 0.226 25483 9740 1 20 . 1 1 38 38 ALA C C 38 175.507 175.507 177.333 -1.826 25483 9741 1 20 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.633 0.287 25483 9742 1 20 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.601 0.011 25483 9743 1 20 . 1 1 38 38 ALA H H 38 8.845 8.845 7.658 1.187 25483 9744 1 20 . 1 1 39 39 SER N N 39 111.653 111.653 112.393 -0.740 25483 9745 1 20 . 1 1 39 39 SER HA H 39 4.425 4.425 4.191 0.234 25483 9746 1 20 . 1 1 39 39 SER C C 39 176.988 176.988 174.332 2.656 25483 9747 1 20 . 1 1 39 39 SER CA C 39 59.504 59.504 59.047 0.457 25483 9748 1 20 . 1 1 39 39 SER CB C 39 64.768 64.768 62.825 1.943 25483 9749 1 20 . 1 1 39 39 SER H H 39 8.727 8.727 8.844 -0.117 25483 9750 1 20 . 1 1 40 40 ALA N N 40 124.164 124.164 121.421 2.743 25483 9751 1 20 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.557 -0.328 25483 9752 1 20 . 1 1 40 40 ALA C C 40 178.039 178.039 176.685 1.354 25483 9753 1 20 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.714 2.133 25483 9754 1 20 . 1 1 40 40 ALA CB C 40 20.378 20.378 19.941 0.437 25483 9755 1 20 . 1 1 40 40 ALA H H 40 7.543 7.543 8.304 -0.761 25483 9756 1 20 . 1 1 41 41 THR N N 41 106.060 106.060 112.704 -6.644 25483 9757 1 20 . 1 1 41 41 THR HA H 41 5.006 5.006 4.529 0.477 25483 9758 1 20 . 1 1 41 41 THR C C 41 173.200 173.200 172.212 0.988 25483 9759 1 20 . 1 1 41 41 THR CA C 41 57.856 57.856 60.156 -2.300 25483 9760 1 20 . 1 1 41 41 THR CB C 41 70.541 70.541 69.674 0.867 25483 9761 1 20 . 1 1 41 41 THR H H 41 7.162 7.162 7.730 -0.568 25483 9762 1 20 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.563 -0.238 25483 9763 1 20 . 1 1 42 42 PRO C C 42 179.534 179.534 178.189 1.345 25483 9764 1 20 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.639 0.167 25483 9765 1 20 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.113 -0.372 25483 9766 1 20 . 1 1 43 43 GLU N N 43 118.723 118.723 119.689 -0.966 25483 9767 1 20 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.195 -0.087 25483 9768 1 20 . 1 1 43 43 GLU C C 43 179.692 179.692 178.301 1.391 25483 9769 1 20 . 1 1 43 43 GLU CA C 43 60.721 60.721 59.025 1.696 25483 9770 1 20 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.418 -0.867 25483 9771 1 20 . 1 1 43 43 GLU H H 43 9.124 9.124 8.185 0.939 25483 9772 1 20 . 1 1 44 44 LEU N N 44 121.970 121.970 118.959 3.011 25483 9773 1 20 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.348 -0.008 25483 9774 1 20 . 1 1 44 44 LEU C C 44 178.924 178.924 178.459 0.465 25483 9775 1 20 . 1 1 44 44 LEU CA C 44 57.472 57.472 56.845 0.627 25483 9776 1 20 . 1 1 44 44 LEU CB C 44 42.432 42.432 42.134 0.298 25483 9777 1 20 . 1 1 44 44 LEU H H 44 7.838 7.838 7.569 0.270 25483 9778 1 20 . 1 1 45 45 ARG N N 45 122.130 122.130 120.058 2.072 25483 9779 1 20 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.901 0.192 25483 9780 1 20 . 1 1 45 45 ARG C C 45 178.955 178.955 178.194 0.761 25483 9781 1 20 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.676 0.448 25483 9782 1 20 . 1 1 45 45 ARG CB C 45 30.147 30.147 30.202 -0.055 25483 9783 1 20 . 1 1 45 45 ARG H H 45 7.762 7.762 8.647 -0.885 25483 9784 1 20 . 1 1 46 46 ALA N N 46 121.165 121.165 119.866 1.299 25483 9785 1 20 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.068 0.068 25483 9786 1 20 . 1 1 46 46 ALA C C 46 179.912 179.912 179.629 0.283 25483 9787 1 20 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.872 0.073 25483 9788 1 20 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.055 -0.343 25483 9789 1 20 . 1 1 46 46 ALA H H 46 8.160 8.160 7.771 0.389 25483 9790 1 20 . 1 1 47 47 GLU N N 47 120.906 120.906 119.326 1.580 25483 9791 1 20 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.042 0.011 25483 9792 1 20 . 1 1 47 47 GLU C C 47 178.039 178.039 179.267 -1.228 25483 9793 1 20 . 1 1 47 47 GLU CA C 47 59.500 59.500 58.933 0.567 25483 9794 1 20 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.311 0.500 25483 9795 1 20 . 1 1 47 47 GLU H H 47 7.918 7.918 7.625 0.293 25483 9796 1 20 . 1 1 48 48 MET N N 48 118.645 118.645 118.205 0.440 25483 9797 1 20 . 1 1 48 48 MET HA H 48 2.897 2.897 4.143 -1.246 25483 9798 1 20 . 1 1 48 48 MET C C 48 180.282 180.282 178.739 1.543 25483 9799 1 20 . 1 1 48 48 MET CA C 48 59.540 59.540 57.225 2.315 25483 9800 1 20 . 1 1 48 48 MET CB C 48 33.502 33.502 31.556 1.946 25483 9801 1 20 . 1 1 48 48 MET H H 48 8.047 8.047 7.679 0.368 25483 9802 1 20 . 1 1 49 49 GLN N N 49 122.104 122.104 118.746 3.358 25483 9803 1 20 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.029 0.310 25483 9804 1 20 . 1 1 49 49 GLN C C 49 178.780 178.780 177.527 1.253 25483 9805 1 20 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.511 0.233 25483 9806 1 20 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.511 -0.273 25483 9807 1 20 . 1 1 49 49 GLN H H 49 8.237 8.237 8.099 0.138 25483 9808 1 20 . 1 1 50 50 GLU N N 50 121.947 121.947 118.026 3.921 25483 9809 1 20 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.134 -0.165 25483 9810 1 20 . 1 1 50 50 GLU C C 50 178.863 178.863 178.068 0.795 25483 9811 1 20 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.470 0.661 25483 9812 1 20 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.888 -0.169 25483 9813 1 20 . 1 1 50 50 GLU H H 50 8.659 8.659 7.953 0.706 25483 9814 1 20 . 1 1 51 51 ARG N N 51 115.832 115.832 117.079 -1.247 25483 9815 1 20 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.591 -0.531 25483 9816 1 20 . 1 1 51 51 ARG C C 51 177.748 177.748 176.077 1.671 25483 9817 1 20 . 1 1 51 51 ARG CA C 51 58.480 58.480 54.109 4.371 25483 9818 1 20 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.486 0.672 25483 9819 1 20 . 1 1 51 51 ARG H H 51 8.231 8.231 7.612 0.619 25483 9820 1 20 . 1 1 52 52 SER N N 52 109.790 109.790 115.070 -5.280 25483 9821 1 20 . 1 1 52 52 SER HA H 52 3.759 3.759 4.214 -0.455 25483 9822 1 20 . 1 1 52 52 SER C C 52 174.149 174.149 175.367 -1.218 25483 9823 1 20 . 1 1 52 52 SER CA C 52 58.883 58.883 60.049 -1.166 25483 9824 1 20 . 1 1 52 52 SER CB C 52 66.744 66.744 63.793 2.951 25483 9825 1 20 . 1 1 52 52 SER H H 52 8.032 8.032 7.594 0.438 25483 9826 1 20 . 1 1 53 53 GLY N N 53 112.524 112.524 115.370 -2.846 25483 9827 1 20 . 1 1 53 53 GLY C C 53 173.690 173.690 173.584 0.106 25483 9828 1 20 . 1 1 53 53 GLY CA C 53 46.093 46.093 45.148 0.945 25483 9829 1 20 . 1 1 53 53 GLY H H 53 8.239 8.239 8.776 -0.537 25483 9830 1 20 . 1 1 54 54 ARG N N 54 119.453 119.453 119.276 0.177 25483 9831 1 20 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.619 0.034 25483 9832 1 20 . 1 1 54 54 ARG C C 54 174.144 174.144 174.540 -0.396 25483 9833 1 20 . 1 1 54 54 ARG CA C 54 54.660 54.660 55.260 -0.600 25483 9834 1 20 . 1 1 54 54 ARG CB C 54 35.255 35.255 31.929 3.326 25483 9835 1 20 . 1 1 54 54 ARG H H 54 8.309 8.309 8.226 0.083 25483 9836 1 20 . 1 1 55 55 ASN N N 55 112.521 112.521 118.997 -6.476 25483 9837 1 20 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.822 -0.129 25483 9838 1 20 . 1 1 55 55 ASN C C 55 175.197 175.197 175.370 -0.173 25483 9839 1 20 . 1 1 55 55 ASN CA C 55 51.681 51.681 52.598 -0.917 25483 9840 1 20 . 1 1 55 55 ASN CB C 55 39.468 39.468 37.943 1.525 25483 9841 1 20 . 1 1 55 55 ASN H H 55 8.154 8.154 8.501 -0.347 25483 9842 1 20 . 1 1 56 56 THR N N 56 107.919 107.919 111.835 -3.916 25483 9843 1 20 . 1 1 56 56 THR HA H 56 4.356 4.356 4.153 0.203 25483 9844 1 20 . 1 1 56 56 THR C C 56 172.477 172.477 175.026 -2.549 25483 9845 1 20 . 1 1 56 56 THR CA C 56 59.438 59.438 61.963 -2.525 25483 9846 1 20 . 1 1 56 56 THR CB C 56 70.636 70.636 69.596 1.040 25483 9847 1 20 . 1 1 56 56 THR H H 56 6.778 6.778 7.302 -0.524 25483 9848 1 20 . 1 1 57 57 PHE N N 57 117.789 117.789 118.835 -1.046 25483 9849 1 20 . 1 1 57 57 PHE HA H 57 4.725 4.725 4.534 0.191 25483 9850 1 20 . 1 1 57 57 PHE C C 57 174.241 174.241 174.467 -0.226 25483 9851 1 20 . 1 1 57 57 PHE CA C 57 55.088 55.088 55.420 -0.332 25483 9852 1 20 . 1 1 57 57 PHE CB C 57 43.506 43.506 36.919 6.587 25483 9853 1 20 . 1 1 57 57 PHE H H 57 8.469 8.469 7.566 0.903 25483 9854 1 20 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.517 1.096 25483 9855 1 20 . 1 1 58 58 PRO C C 58 177.062 177.062 175.957 1.105 25483 9856 1 20 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.740 0.442 25483 9857 1 20 . 1 1 58 58 PRO CB C 58 36.461 36.461 33.023 3.438 25483 9858 1 20 . 1 1 59 59 GLN N N 59 112.113 112.113 117.524 -5.411 25483 9859 1 20 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.801 0.019 25483 9860 1 20 . 1 1 59 59 GLN C C 59 175.655 175.655 175.591 0.064 25483 9861 1 20 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.640 0.528 25483 9862 1 20 . 1 1 59 59 GLN CB C 59 31.479 31.479 31.032 0.447 25483 9863 1 20 . 1 1 59 59 GLN H H 59 8.041 8.041 8.150 -0.109 25483 9864 1 20 . 1 1 60 60 ILE N N 60 123.134 123.134 122.125 1.009 25483 9865 1 20 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.641 0.317 25483 9866 1 20 . 1 1 60 60 ILE C C 60 174.350 174.350 174.640 -0.290 25483 9867 1 20 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.458 1.716 25483 9868 1 20 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.567 1.261 25483 9869 1 20 . 1 1 60 60 ILE H H 60 8.940 8.940 8.025 0.915 25483 9870 1 20 . 1 1 61 61 PHE N N 61 128.163 128.163 123.527 4.636 25483 9871 1 20 . 1 1 61 61 PHE HA H 61 5.393 5.393 5.304 0.089 25483 9872 1 20 . 1 1 61 61 PHE C C 61 174.659 174.659 174.774 -0.115 25483 9873 1 20 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.523 0.123 25483 9874 1 20 . 1 1 61 61 PHE CB C 61 41.735 41.735 42.828 -1.093 25483 9875 1 20 . 1 1 61 61 PHE H H 61 9.645 9.645 8.586 1.059 25483 9876 1 20 . 1 1 62 62 ILE N N 62 122.592 122.592 119.913 2.679 25483 9877 1 20 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.790 -0.160 25483 9878 1 20 . 1 1 62 62 ILE C C 62 175.360 175.360 175.804 -0.444 25483 9879 1 20 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.838 1.170 25483 9880 1 20 . 1 1 62 62 ILE CB C 62 39.569 39.569 38.313 1.256 25483 9881 1 20 . 1 1 62 62 ILE H H 62 9.066 9.066 7.937 1.129 25483 9882 1 20 . 1 1 63 63 GLY N N 63 116.263 116.263 117.619 -1.356 25483 9883 1 20 . 1 1 63 63 GLY C C 63 175.630 175.630 175.028 0.602 25483 9884 1 20 . 1 1 63 63 GLY CA C 63 47.253 47.253 45.382 1.871 25483 9885 1 20 . 1 1 63 63 GLY H H 63 9.307 9.307 8.336 0.971 25483 9886 1 20 . 1 1 64 64 SER N N 64 122.053 122.053 111.843 10.210 25483 9887 1 20 . 1 1 64 64 SER HA H 64 4.566 4.566 4.263 0.303 25483 9888 1 20 . 1 1 64 64 SER C C 64 173.891 173.891 173.679 0.212 25483 9889 1 20 . 1 1 64 64 SER CA C 64 59.071 59.071 59.747 -0.676 25483 9890 1 20 . 1 1 64 64 SER CB C 64 63.895 63.895 62.680 1.215 25483 9891 1 20 . 1 1 64 64 SER H H 64 9.236 9.236 8.667 0.569 25483 9892 1 20 . 1 1 65 65 VAL N N 65 124.553 124.553 119.607 4.946 25483 9893 1 20 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.263 -0.186 25483 9894 1 20 . 1 1 65 65 VAL C C 65 175.294 175.294 174.767 0.527 25483 9895 1 20 . 1 1 65 65 VAL CA C 65 62.735 62.735 61.608 1.127 25483 9896 1 20 . 1 1 65 65 VAL CB C 65 33.078 33.078 33.316 -0.238 25483 9897 1 20 . 1 1 65 65 VAL H H 65 8.494 8.494 7.490 1.004 25483 9898 1 20 . 1 1 66 66 HIS N N 66 102.561 102.561 124.877 -22.316 25483 9899 1 20 . 1 1 66 66 HIS HA H 66 4.362 4.362 3.619 0.743 25483 9900 1 20 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.506 -0.893 25483 9901 1 20 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.489 0.452 25483 9902 1 20 . 1 1 66 66 HIS H H 66 8.966 8.966 8.463 0.503 25483 9903 1 20 . 1 1 67 67 VAL N N 67 130.151 130.151 126.213 3.938 25483 9904 1 20 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.280 -0.850 25483 9905 1 20 . 1 1 67 67 VAL C C 67 174.677 174.677 175.874 -1.197 25483 9906 1 20 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.872 3.157 25483 9907 1 20 . 1 1 67 67 VAL CB C 67 32.426 32.426 34.691 -2.265 25483 9908 1 20 . 1 1 67 67 VAL H H 67 8.214 8.214 7.588 0.626 25483 9909 1 20 . 1 1 68 68 GLY N N 68 102.768 102.768 113.019 -10.251 25483 9910 1 20 . 1 1 68 68 GLY C C 68 173.023 173.023 174.578 -1.555 25483 9911 1 20 . 1 1 68 68 GLY CA C 68 43.780 43.780 46.872 -3.092 25483 9912 1 20 . 1 1 68 68 GLY H H 68 6.436 6.436 9.011 -2.575 25483 9913 1 20 . 1 1 69 69 GLY N N 69 110.061 110.061 106.427 3.634 25483 9914 1 20 . 1 1 69 69 GLY C C 69 175.375 175.375 174.832 0.543 25483 9915 1 20 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.552 -0.629 25483 9916 1 20 . 1 1 69 69 GLY H H 69 9.004 9.004 7.372 1.632 25483 9917 1 20 . 1 1 70 70 SER N N 70 113.592 113.592 116.653 -3.061 25483 9918 1 20 . 1 1 70 70 SER HA H 70 3.894 3.894 3.927 -0.033 25483 9919 1 20 . 1 1 70 70 SER CA C 70 62.816 62.816 62.420 0.396 25483 9920 1 20 . 1 1 70 70 SER H H 70 8.088 8.088 8.402 -0.314 25483 9921 1 20 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.304 0.100 25483 9922 1 20 . 1 1 71 71 ASP C C 71 179.115 179.115 178.094 1.021 25483 9923 1 20 . 1 1 71 71 ASP CA C 71 57.610 57.610 56.943 0.667 25483 9924 1 20 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.392 -1.067 25483 9925 1 20 . 1 1 72 72 ASP N N 72 119.325 119.325 120.097 -0.772 25483 9926 1 20 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.463 -0.117 25483 9927 1 20 . 1 1 72 72 ASP C C 72 177.816 177.816 178.620 -0.804 25483 9928 1 20 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.686 0.527 25483 9929 1 20 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.844 0.564 25483 9930 1 20 . 1 1 72 72 ASP H H 72 7.232 7.232 7.569 -0.337 25483 9931 1 20 . 1 1 73 73 LEU N N 73 121.336 121.336 121.190 0.146 25483 9932 1 20 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.877 -0.104 25483 9933 1 20 . 1 1 73 73 LEU C C 73 177.957 177.957 178.389 -0.432 25483 9934 1 20 . 1 1 73 73 LEU CA C 73 58.354 58.354 57.973 0.381 25483 9935 1 20 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.946 0.230 25483 9936 1 20 . 1 1 73 73 LEU H H 73 7.789 7.789 8.100 -0.311 25483 9937 1 20 . 1 1 74 74 TYR N N 74 116.570 116.570 117.076 -0.506 25483 9938 1 20 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.286 -0.537 25483 9939 1 20 . 1 1 74 74 TYR C C 74 178.275 178.275 177.148 1.127 25483 9940 1 20 . 1 1 74 74 TYR CA C 74 62.698 62.698 60.557 2.141 25483 9941 1 20 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.893 -0.382 25483 9942 1 20 . 1 1 74 74 TYR H H 74 8.318 8.318 8.279 0.039 25483 9943 1 20 . 1 1 75 75 ALA N N 75 122.593 122.593 123.019 -0.426 25483 9944 1 20 . 1 1 75 75 ALA HA H 75 4.255 4.255 4.090 0.165 25483 9945 1 20 . 1 1 75 75 ALA C C 75 180.162 180.162 178.858 1.304 25483 9946 1 20 . 1 1 75 75 ALA CA C 75 55.603 55.603 54.890 0.713 25483 9947 1 20 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.542 -0.913 25483 9948 1 20 . 1 1 75 75 ALA H H 75 8.082 8.082 7.862 0.220 25483 9949 1 20 . 1 1 76 76 LEU N N 76 116.647 116.647 119.035 -2.388 25483 9950 1 20 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.848 0.207 25483 9951 1 20 . 1 1 76 76 LEU C C 76 179.538 179.538 179.383 0.155 25483 9952 1 20 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.920 -0.064 25483 9953 1 20 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.614 1.063 25483 9954 1 20 . 1 1 76 76 LEU H H 76 7.389 7.389 8.467 -1.078 25483 9955 1 20 . 1 1 77 77 GLU N N 77 121.342 121.342 118.887 2.455 25483 9956 1 20 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.937 0.660 25483 9957 1 20 . 1 1 77 77 GLU C C 77 179.674 179.674 178.759 0.915 25483 9958 1 20 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.085 -1.054 25483 9959 1 20 . 1 1 77 77 GLU CB C 77 28.117 28.117 28.651 -0.534 25483 9960 1 20 . 1 1 77 77 GLU H H 77 7.461 7.461 7.902 -0.441 25483 9961 1 20 . 1 1 78 78 ASP N N 78 123.339 123.339 119.627 3.712 25483 9962 1 20 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.444 0.007 25483 9963 1 20 . 1 1 78 78 ASP C C 78 178.412 178.412 178.359 0.053 25483 9964 1 20 . 1 1 78 78 ASP CA C 78 57.470 57.470 57.009 0.461 25483 9965 1 20 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.949 -0.405 25483 9966 1 20 . 1 1 78 78 ASP H H 78 8.650 8.650 7.551 1.099 25483 9967 1 20 . 1 1 79 79 GLU N N 79 115.360 115.360 116.332 -0.972 25483 9968 1 20 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.267 0.065 25483 9969 1 20 . 1 1 79 79 GLU C C 79 176.861 176.861 177.821 -0.960 25483 9970 1 20 . 1 1 79 79 GLU CA C 79 56.315 56.315 56.904 -0.589 25483 9971 1 20 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.375 0.326 25483 9972 1 20 . 1 1 79 79 GLU H H 79 7.791 7.791 7.966 -0.175 25483 9973 1 20 . 1 1 80 80 GLY N N 80 108.851 108.851 107.410 1.441 25483 9974 1 20 . 1 1 80 80 GLY C C 80 176.085 176.085 174.315 1.770 25483 9975 1 20 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.068 1.173 25483 9976 1 20 . 1 1 80 80 GLY H H 80 8.078 8.078 8.106 -0.028 25483 9977 1 20 . 1 1 81 81 LYS N N 81 116.858 116.858 120.073 -3.215 25483 9978 1 20 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.657 -0.212 25483 9979 1 20 . 1 1 81 81 LYS C C 81 176.789 176.789 176.005 0.784 25483 9980 1 20 . 1 1 81 81 LYS CA C 81 56.568 56.568 54.997 1.571 25483 9981 1 20 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.407 2.597 25483 9982 1 20 . 1 1 81 81 LYS H H 81 8.216 8.216 8.368 -0.152 25483 9983 1 20 . 1 1 82 82 LEU N N 82 122.543 122.543 114.891 7.652 25483 9984 1 20 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.299 -0.258 25483 9985 1 20 . 1 1 82 82 LEU C C 82 177.466 177.466 177.655 -0.189 25483 9986 1 20 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.305 0.192 25483 9987 1 20 . 1 1 82 82 LEU CB C 82 40.489 40.489 42.318 -1.829 25483 9988 1 20 . 1 1 82 82 LEU H H 82 7.516 7.516 7.762 -0.246 25483 9989 1 20 . 1 1 83 83 ASP N N 83 119.643 119.643 120.360 -0.717 25483 9990 1 20 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.324 -0.018 25483 9991 1 20 . 1 1 83 83 ASP C C 83 178.744 178.744 178.123 0.621 25483 9992 1 20 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.099 1.639 25483 9993 1 20 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.035 -0.081 25483 9994 1 20 . 1 1 83 83 ASP H H 83 8.662 8.662 8.605 0.057 25483 9995 1 20 . 1 1 84 84 SER N N 84 113.208 113.208 113.551 -0.343 25483 9996 1 20 . 1 1 84 84 SER HA H 84 4.266 4.266 4.314 -0.048 25483 9997 1 20 . 1 1 84 84 SER C C 84 177.581 177.581 175.927 1.654 25483 9998 1 20 . 1 1 84 84 SER CA C 84 61.483 61.483 60.113 1.370 25483 9999 1 20 . 1 1 84 84 SER CB C 84 62.667 62.667 63.216 -0.549 25483 10000 1 20 . 1 1 84 84 SER H H 84 8.425 8.425 8.430 -0.005 25483 10001 1 20 . 1 1 85 85 LEU N N 85 126.393 126.393 122.767 3.626 25483 10002 1 20 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.328 0.027 25483 10003 1 20 . 1 1 85 85 LEU C C 85 178.692 178.692 177.221 1.471 25483 10004 1 20 . 1 1 85 85 LEU CA C 85 58.409 58.409 57.923 0.486 25483 10005 1 20 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.430 -0.915 25483 10006 1 20 . 1 1 85 85 LEU H H 85 7.577 7.577 7.478 0.099 25483 10007 1 20 . 1 1 86 86 LEU N N 86 117.833 117.833 113.933 3.900 25483 10008 1 20 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.454 -0.571 25483 10009 1 20 . 1 1 86 86 LEU C C 86 177.470 177.470 177.952 -0.482 25483 10010 1 20 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.517 1.264 25483 10011 1 20 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.389 0.413 25483 10012 1 20 . 1 1 86 86 LEU H H 86 8.406 8.406 8.450 -0.044 25483 10013 1 20 . 1 1 87 87 LYS N N 87 113.997 113.997 118.109 -4.112 25483 10014 1 20 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.472 -0.083 25483 10015 1 20 . 1 1 87 87 LYS C C 87 178.282 178.282 176.136 2.146 25483 10016 1 20 . 1 1 87 87 LYS CA C 87 58.334 58.334 57.316 1.018 25483 10017 1 20 . 1 1 87 87 LYS CB C 87 33.913 33.913 34.580 -0.667 25483 10018 1 20 . 1 1 87 87 LYS H H 87 7.548 7.548 7.752 -0.204 25483 10019 1 20 . 1 1 88 88 THR N N 88 106.050 106.050 109.273 -3.223 25483 10020 1 20 . 1 1 88 88 THR HA H 88 4.545 4.545 4.572 -0.027 25483 10021 1 20 . 1 1 88 88 THR C C 88 176.566 176.566 175.119 1.447 25483 10022 1 20 . 1 1 88 88 THR CA C 88 62.396 62.396 60.539 1.857 25483 10023 1 20 . 1 1 88 88 THR CB C 88 72.438 72.438 69.114 3.324 25483 10024 1 20 . 1 1 88 88 THR H H 88 8.178 8.178 7.569 0.609 25483 10025 1 20 . 1 1 89 89 GLY N N 89 112.811 112.811 110.242 2.569 25483 10026 1 20 . 1 1 89 89 GLY C C 89 171.985 171.985 174.427 -2.442 25483 10027 1 20 . 1 1 89 89 GLY CA C 89 46.816 46.816 46.226 0.590 25483 10028 1 20 . 1 1 89 89 GLY H H 89 9.153 9.153 7.727 1.426 25483 10029 1 20 . 1 1 90 90 LYS N N 90 117.650 117.650 118.022 -0.372 25483 10030 1 20 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.301 0.209 25483 10031 1 20 . 1 1 90 90 LYS C C 90 174.330 174.330 177.192 -2.862 25483 10032 1 20 . 1 1 90 90 LYS CA C 90 54.609 54.609 57.252 -2.643 25483 10033 1 20 . 1 1 90 90 LYS CB C 90 35.701 35.701 32.513 3.188 25483 10034 1 20 . 1 1 90 90 LYS H H 90 7.940 7.940 7.379 0.561 25483 10035 1 20 . 1 1 91 91 LEU N N 91 123.149 123.149 120.287 2.862 25483 10036 1 20 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.463 0.006 25483 10037 1 20 . 1 1 91 91 LEU C C 91 175.848 175.848 177.381 -1.533 25483 10038 1 20 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.605 -1.006 25483 10039 1 20 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.113 0.898 25483 10040 1 20 . 1 1 91 91 LEU H H 91 8.501 8.501 8.642 -0.141 25483 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 84 4.265 -0.263 4.282 25483 2 1 1 "Average Difference" HA 97 0.408 -0.096 0.399 25483 3 1 1 "Average Difference" C 86 1.255 -0.281 1.230 25483 4 1 1 "Average Difference" CA 89 1.742 -0.259 1.732 25483 5 1 1 "Average Difference" CB 79 1.749 -0.388 1.717 25483 6 1 1 "Average Difference" HN 84 0.634 -0.134 0.624 25483 7 1 2 "Average Difference" N 84 4.058 -0.006 4.082 25483 8 1 2 "Average Difference" HA 97 0.395 -0.030 0.396 25483 9 1 2 "Average Difference" C 86 1.243 -0.434 1.171 25483 10 1 2 "Average Difference" CA 89 1.877 -0.386 1.847 25483 11 1 2 "Average Difference" CB 79 1.519 -0.222 1.512 25483 12 1 2 "Average Difference" HN 84 0.669 -0.156 0.655 25483 13 1 3 "Average Difference" N 84 4.221 -0.204 4.241 25483 14 1 3 "Average Difference" HA 97 0.387 -0.068 0.383 25483 15 1 3 "Average Difference" C 86 1.333 -0.299 1.306 25483 16 1 3 "Average Difference" CA 89 1.698 -0.247 1.689 25483 17 1 3 "Average Difference" CB 79 1.579 -0.401 1.537 25483 18 1 3 "Average Difference" HN 84 0.625 -0.108 0.620 25483 19 1 4 "Average Difference" N 84 4.287 0.317 4.301 25483 20 1 4 "Average Difference" HA 97 0.390 -0.052 0.388 25483 21 1 4 "Average Difference" C 86 1.209 -0.353 1.164 25483 22 1 4 "Average Difference" CA 89 1.593 -0.303 1.573 25483 23 1 4 "Average Difference" CB 79 1.524 -0.353 1.492 25483 24 1 4 "Average Difference" HN 84 0.628 -0.159 0.611 25483 25 1 5 "Average Difference" N 84 4.155 0.124 4.178 25483 26 1 5 "Average Difference" HA 97 0.381 -0.054 0.379 25483 27 1 5 "Average Difference" C 86 1.215 -0.336 1.175 25483 28 1 5 "Average Difference" CA 89 1.708 -0.262 1.698 25483 29 1 5 "Average Difference" CB 79 1.675 -0.236 1.669 25483 30 1 5 "Average Difference" HN 84 0.609 -0.161 0.590 25483 31 1 6 "Average Difference" N 84 4.240 -0.107 4.264 25483 32 1 6 "Average Difference" HA 97 0.391 -0.074 0.385 25483 33 1 6 "Average Difference" C 86 1.288 -0.340 1.250 25483 34 1 6 "Average Difference" CA 89 1.788 -0.292 1.774 25483 35 1 6 "Average Difference" CB 79 1.498 -0.415 1.449 25483 36 1 6 "Average Difference" HN 84 0.642 -0.123 0.634 25483 37 1 7 "Average Difference" N 84 4.059 -0.029 4.083 25483 38 1 7 "Average Difference" HA 97 0.390 -0.053 0.388 25483 39 1 7 "Average Difference" C 86 1.180 -0.366 1.128 25483 40 1 7 "Average Difference" CA 89 1.698 -0.238 1.691 25483 41 1 7 "Average Difference" CB 79 1.551 -0.338 1.523 25483 42 1 7 "Average Difference" HN 84 0.632 -0.118 0.625 25483 43 1 8 "Average Difference" N 84 4.192 -0.288 4.207 25483 44 1 8 "Average Difference" HA 97 0.389 -0.042 0.388 25483 45 1 8 "Average Difference" C 86 1.289 -0.367 1.243 25483 46 1 8 "Average Difference" CA 89 1.816 -0.315 1.798 25483 47 1 8 "Average Difference" CB 79 1.488 -0.305 1.466 25483 48 1 8 "Average Difference" HN 84 0.632 -0.157 0.616 25483 49 1 9 "Average Difference" N 84 4.190 -0.007 4.215 25483 50 1 9 "Average Difference" HA 97 0.389 -0.068 0.385 25483 51 1 9 "Average Difference" C 86 1.265 -0.311 1.234 25483 52 1 9 "Average Difference" CA 89 1.750 -0.302 1.734 25483 53 1 9 "Average Difference" CB 79 1.640 -0.414 1.597 25483 54 1 9 "Average Difference" HN 84 0.625 -0.132 0.615 25483 55 1 10 "Average Difference" N 84 4.103 -0.180 4.123 25483 56 1 10 "Average Difference" HA 97 0.377 -0.068 0.373 25483 57 1 10 "Average Difference" C 86 1.181 -0.368 1.129 25483 58 1 10 "Average Difference" CA 89 1.528 -0.217 1.522 25483 59 1 10 "Average Difference" CB 79 1.629 -0.332 1.605 25483 60 1 10 "Average Difference" HN 84 0.673 -0.117 0.667 25483 61 1 11 "Average Difference" N 84 4.415 0.209 4.437 25483 62 1 11 "Average Difference" HA 97 0.385 -0.041 0.385 25483 63 1 11 "Average Difference" C 86 1.245 -0.396 1.188 25483 64 1 11 "Average Difference" CA 89 1.705 -0.322 1.684 25483 65 1 11 "Average Difference" CB 79 1.562 -0.335 1.535 25483 66 1 11 "Average Difference" HN 84 0.636 -0.153 0.621 25483 67 1 12 "Average Difference" N 84 4.168 -0.057 4.192 25483 68 1 12 "Average Difference" HA 97 0.383 -0.051 0.381 25483 69 1 12 "Average Difference" C 86 1.250 -0.346 1.208 25483 70 1 12 "Average Difference" CA 89 1.816 -0.337 1.795 25483 71 1 12 "Average Difference" CB 79 1.555 -0.242 1.546 25483 72 1 12 "Average Difference" HN 84 0.596 -0.127 0.586 25483 73 1 13 "Average Difference" N 84 4.235 0.181 4.257 25483 74 1 13 "Average Difference" HA 97 0.432 -0.079 0.427 25483 75 1 13 "Average Difference" C 86 1.209 -0.339 1.167 25483 76 1 13 "Average Difference" CA 89 1.745 -0.222 1.741 25483 77 1 13 "Average Difference" CB 79 1.571 -0.354 1.540 25483 78 1 13 "Average Difference" HN 84 0.639 -0.129 0.630 25483 79 1 14 "Average Difference" N 84 3.955 0.106 3.978 25483 80 1 14 "Average Difference" HA 97 0.380 -0.077 0.374 25483 81 1 14 "Average Difference" C 86 1.184 -0.298 1.153 25483 82 1 14 "Average Difference" CA 89 1.735 -0.299 1.719 25483 83 1 14 "Average Difference" CB 79 1.579 -0.396 1.539 25483 84 1 14 "Average Difference" HN 84 0.663 -0.159 0.647 25483 85 1 15 "Average Difference" N 84 4.510 -0.167 4.534 25483 86 1 15 "Average Difference" HA 97 0.404 -0.044 0.404 25483 87 1 15 "Average Difference" C 86 1.282 -0.343 1.242 25483 88 1 15 "Average Difference" CA 89 1.839 -0.282 1.827 25483 89 1 15 "Average Difference" CB 79 1.440 -0.327 1.412 25483 90 1 15 "Average Difference" HN 84 0.644 -0.130 0.634 25483 91 1 16 "Average Difference" N 84 4.141 -0.084 4.165 25483 92 1 16 "Average Difference" HA 97 0.386 -0.080 0.380 25483 93 1 16 "Average Difference" C 86 1.267 -0.315 1.234 25483 94 1 16 "Average Difference" CA 89 1.597 -0.279 1.582 25483 95 1 16 "Average Difference" CB 79 1.665 -0.395 1.627 25483 96 1 16 "Average Difference" HN 84 0.709 -0.134 0.700 25483 97 1 17 "Average Difference" N 84 4.257 -0.032 4.283 25483 98 1 17 "Average Difference" HA 97 0.386 -0.072 0.381 25483 99 1 17 "Average Difference" C 86 1.209 -0.301 1.178 25483 100 1 17 "Average Difference" CA 89 1.705 -0.204 1.703 25483 101 1 17 "Average Difference" CB 79 1.561 -0.427 1.511 25483 102 1 17 "Average Difference" HN 84 0.647 -0.147 0.634 25483 103 1 18 "Average Difference" N 84 4.042 0.248 4.059 25483 104 1 18 "Average Difference" HA 97 0.398 -0.089 0.390 25483 105 1 18 "Average Difference" C 86 1.315 -0.218 1.304 25483 106 1 18 "Average Difference" CA 89 1.762 -0.268 1.752 25483 107 1 18 "Average Difference" CB 79 1.698 -0.483 1.638 25483 108 1 18 "Average Difference" HN 84 0.674 -0.138 0.664 25483 109 1 19 "Average Difference" N 84 4.284 -0.017 4.310 25483 110 1 19 "Average Difference" HA 97 0.391 -0.056 0.389 25483 111 1 19 "Average Difference" C 86 1.209 -0.279 1.184 25483 112 1 19 "Average Difference" CA 89 1.759 -0.291 1.745 25483 113 1 19 "Average Difference" CB 79 1.439 -0.316 1.413 25483 114 1 19 "Average Difference" HN 84 0.653 -0.150 0.639 25483 115 1 20 "Average Difference" N 84 4.212 -0.262 4.229 25483 116 1 20 "Average Difference" HA 97 0.383 -0.052 0.382 25483 117 1 20 "Average Difference" C 86 1.256 -0.272 1.233 25483 118 1 20 "Average Difference" CA 89 1.790 -0.336 1.768 25483 119 1 20 "Average Difference" CB 79 1.749 -0.431 1.706 25483 120 1 20 "Average Difference" HN 84 0.662 -0.161 0.646 25483 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 25483 _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 3 3 GLY N N 3 110.312 110.312 108.203 2.109 25483 2 1 . 1 1 3 3 GLY C C 3 174.169 174.169 173.818 0.351 25483 3 1 . 1 1 3 3 GLY CA C 3 45.475 45.475 44.709 0.766 25483 4 1 . 1 1 3 3 GLY H H 3 8.679 8.679 8.187 0.492 25483 5 1 . 1 1 4 4 SER N N 4 115.617 115.617 116.597 -0.980 25483 6 1 . 1 1 4 4 SER HA H 4 4.499 4.499 4.731 -0.232 25483 7 1 . 1 1 4 4 SER C C 4 174.408 174.408 174.072 0.336 25483 8 1 . 1 1 4 4 SER CA C 4 58.541 58.541 58.084 0.457 25483 9 1 . 1 1 4 4 SER CB C 4 63.920 63.920 64.030 -0.110 25483 10 1 . 1 1 4 4 SER H H 4 8.237 8.237 8.369 -0.132 25483 11 1 . 1 1 5 5 MET N N 5 121.390 121.390 120.110 1.280 25483 12 1 . 1 1 5 5 MET HA H 5 4.702 4.702 4.731 -0.029 25483 13 1 . 1 1 5 5 MET C C 5 176.122 176.122 175.296 0.827 25483 14 1 . 1 1 5 5 MET CA C 5 55.600 55.600 54.877 0.723 25483 15 1 . 1 1 5 5 MET CB C 5 34.357 34.357 34.049 0.308 25483 16 1 . 1 1 5 5 MET H H 5 8.309 8.309 8.057 0.252 25483 17 1 . 1 1 6 6 VAL N N 6 117.990 117.990 117.532 0.458 25483 18 1 . 1 1 6 6 VAL HA H 6 4.201 4.201 4.314 -0.113 25483 19 1 . 1 1 6 6 VAL C C 6 174.450 174.450 174.779 -0.329 25483 20 1 . 1 1 6 6 VAL CA C 6 61.418 61.418 61.272 0.146 25483 21 1 . 1 1 6 6 VAL CB C 6 32.585 32.585 32.880 -0.295 25483 22 1 . 1 1 6 6 VAL H H 6 8.175 8.175 8.297 -0.122 25483 23 1 . 1 1 7 7 ASP N N 7 121.785 121.785 119.943 1.842 25483 24 1 . 1 1 7 7 ASP HA H 7 4.568 4.568 4.859 -0.291 25483 25 1 . 1 1 7 7 ASP C C 7 175.866 175.866 175.107 0.759 25483 26 1 . 1 1 7 7 ASP CA C 7 55.168 55.168 53.379 1.788 25483 27 1 . 1 1 7 7 ASP CB C 7 41.599 41.599 43.602 -2.003 25483 28 1 . 1 1 7 7 ASP H H 7 8.332 8.332 8.261 0.071 25483 29 1 . 1 1 8 8 VAL N N 8 124.023 124.023 121.903 2.120 25483 30 1 . 1 1 8 8 VAL HA H 8 4.998 4.998 4.769 0.229 25483 31 1 . 1 1 8 8 VAL C C 8 174.859 174.859 175.860 -1.001 25483 32 1 . 1 1 8 8 VAL CA C 8 61.461 61.461 62.132 -0.672 25483 33 1 . 1 1 8 8 VAL CB C 8 33.321 33.321 32.778 0.543 25483 34 1 . 1 1 8 8 VAL H H 8 8.658 8.658 8.417 0.241 25483 35 1 . 1 1 9 9 ILE N N 9 129.744 129.744 126.038 3.706 25483 36 1 . 1 1 9 9 ILE HA H 9 5.011 5.011 4.616 0.395 25483 37 1 . 1 1 9 9 ILE C C 9 174.323 174.323 174.136 0.187 25483 38 1 . 1 1 9 9 ILE CA C 9 59.697 59.697 60.460 -0.763 25483 39 1 . 1 1 9 9 ILE CB C 9 41.279 41.279 42.530 -1.251 25483 40 1 . 1 1 9 9 ILE H H 9 9.306 9.306 8.832 0.474 25483 41 1 . 1 1 10 10 ILE N N 10 123.657 123.657 122.545 1.112 25483 42 1 . 1 1 10 10 ILE HA H 10 5.399 5.399 5.222 0.177 25483 43 1 . 1 1 10 10 ILE C C 10 173.066 173.066 173.870 -0.804 25483 44 1 . 1 1 10 10 ILE CA C 10 58.489 58.489 58.800 -0.311 25483 45 1 . 1 1 10 10 ILE CB C 10 41.797 41.797 42.585 -0.788 25483 46 1 . 1 1 10 10 ILE H H 10 8.734 8.734 8.811 -0.077 25483 47 1 . 1 1 11 11 TYR N N 11 128.973 128.973 128.186 0.787 25483 48 1 . 1 1 11 11 TYR HA H 11 5.687 5.687 4.749 0.938 25483 49 1 . 1 1 11 11 TYR C C 11 176.756 176.756 174.575 2.181 25483 50 1 . 1 1 11 11 TYR CA C 11 57.408 57.408 58.148 -0.740 25483 51 1 . 1 1 11 11 TYR CB C 11 40.284 40.284 38.565 1.719 25483 52 1 . 1 1 11 11 TYR H H 11 9.292 9.292 8.884 0.408 25483 53 1 . 1 1 12 12 THR N N 12 112.725 112.725 116.617 -3.892 25483 54 1 . 1 1 12 12 THR HA H 12 5.732 5.732 4.543 1.189 25483 55 1 . 1 1 12 12 THR C C 12 172.866 172.866 173.056 -0.190 25483 56 1 . 1 1 12 12 THR CA C 12 59.671 59.671 61.067 -1.396 25483 57 1 . 1 1 12 12 THR CB C 12 72.735 72.735 70.976 1.759 25483 58 1 . 1 1 12 12 THR H H 12 9.253 9.253 7.973 1.280 25483 59 1 . 1 1 13 13 ARG N N 13 116.857 116.857 122.620 -5.763 25483 60 1 . 1 1 13 13 ARG HA H 13 4.785 4.785 4.413 0.372 25483 61 1 . 1 1 13 13 ARG C C 13 173.407 173.407 175.437 -2.030 25483 62 1 . 1 1 13 13 ARG CA C 13 53.254 53.254 55.406 -2.152 25483 63 1 . 1 1 13 13 ARG CB C 13 31.597 31.597 30.019 1.578 25483 64 1 . 1 1 13 13 ARG H H 13 8.695 8.695 8.422 0.273 25483 65 1 . 1 1 14 14 PRO HA H 14 4.161 4.161 4.482 -0.321 25483 66 1 . 1 1 14 14 PRO C C 14 177.642 177.642 176.698 0.944 25483 67 1 . 1 1 14 14 PRO CA C 14 57.978 57.978 63.163 -5.185 25483 68 1 . 1 1 14 14 PRO CB C 14 30.197 30.197 31.323 -1.126 25483 69 1 . 1 1 15 15 GLY N N 15 108.958 108.958 109.841 -0.883 25483 70 1 . 1 1 15 15 GLY C C 15 173.520 173.520 173.610 -0.090 25483 71 1 . 1 1 15 15 GLY CA C 15 46.033 46.033 45.230 0.803 25483 72 1 . 1 1 15 15 GLY H H 15 8.534 8.534 8.264 0.270 25483 73 1 . 1 1 16 16 CYS N N 16 122.701 122.701 121.103 1.598 25483 74 1 . 1 1 16 16 CYS HA H 16 5.035 5.035 4.457 0.578 25483 75 1 . 1 1 16 16 CYS C C 16 175.994 175.994 173.452 2.542 25483 76 1 . 1 1 16 16 CYS CA C 16 55.218 55.218 59.437 -4.219 25483 77 1 . 1 1 16 16 CYS CB C 16 31.714 31.714 27.332 4.382 25483 78 1 . 1 1 16 16 CYS H H 16 7.476 7.476 8.590 -1.114 25483 79 1 . 1 1 17 17 PRO HA H 17 4.340 4.340 4.338 0.002 25483 80 1 . 1 1 17 17 PRO C C 17 178.531 178.531 176.283 2.248 25483 81 1 . 1 1 17 17 PRO CA C 17 64.531 64.531 62.829 1.701 25483 82 1 . 1 1 17 17 PRO CB C 17 32.140 32.140 32.078 0.062 25483 83 1 . 1 1 18 18 TYR N N 18 121.799 121.799 118.488 3.311 25483 84 1 . 1 1 18 18 TYR HA H 18 4.422 4.422 4.613 -0.191 25483 85 1 . 1 1 18 18 TYR C C 18 178.508 178.508 176.000 2.508 25483 86 1 . 1 1 18 18 TYR CA C 18 61.076 61.076 57.279 3.797 25483 87 1 . 1 1 18 18 TYR CB C 18 38.433 38.433 36.820 1.613 25483 88 1 . 1 1 18 18 TYR H H 18 8.148 8.148 8.634 -0.486 25483 89 1 . 1 1 19 19 CYS N N 19 122.966 122.966 118.201 4.766 25483 90 1 . 1 1 19 19 CYS HA H 19 4.002 4.002 4.636 -0.635 25483 91 1 . 1 1 19 19 CYS C C 19 177.642 177.642 175.409 2.233 25483 92 1 . 1 1 19 19 CYS CA C 19 64.471 64.471 56.595 7.876 25483 93 1 . 1 1 19 19 CYS CB C 19 31.017 31.017 26.951 4.066 25483 94 1 . 1 1 19 19 CYS H H 19 7.833 7.833 8.082 -0.249 25483 95 1 . 1 1 20 20 ALA N N 20 121.738 121.738 124.640 -2.902 25483 96 1 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.187 -0.037 25483 97 1 . 1 1 20 20 ALA C C 20 180.531 180.531 179.156 1.375 25483 98 1 . 1 1 20 20 ALA CA C 20 55.584 55.584 54.333 1.251 25483 99 1 . 1 1 20 20 ALA CB C 20 18.029 18.029 18.947 -0.918 25483 100 1 . 1 1 20 20 ALA H H 20 7.080 7.080 8.225 -1.145 25483 101 1 . 1 1 21 21 ARG N N 21 119.812 119.812 119.228 0.584 25483 102 1 . 1 1 21 21 ARG HA H 21 4.242 4.242 4.135 0.107 25483 103 1 . 1 1 21 21 ARG CA C 21 57.925 57.925 59.216 -1.291 25483 104 1 . 1 1 21 21 ARG CB C 21 29.868 29.868 29.554 0.314 25483 105 1 . 1 1 21 21 ARG H H 21 8.039 8.039 8.205 -0.166 25483 106 1 . 1 1 22 22 ALA N N 22 124.459 124.459 121.098 3.361 25483 107 1 . 1 1 22 22 ALA HA H 22 4.140 4.140 3.946 0.194 25483 108 1 . 1 1 22 22 ALA C C 22 178.267 178.267 179.533 -1.266 25483 109 1 . 1 1 22 22 ALA CA C 22 55.671 55.671 54.988 0.683 25483 110 1 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.053 1.172 25483 111 1 . 1 1 22 22 ALA H H 22 7.768 7.768 8.352 -0.584 25483 112 1 . 1 1 23 23 LYS N N 23 116.014 116.014 117.612 -1.598 25483 113 1 . 1 1 23 23 LYS HA H 23 3.301 3.301 3.595 -0.294 25483 114 1 . 1 1 23 23 LYS C C 23 177.995 177.995 178.570 -0.575 25483 115 1 . 1 1 23 23 LYS CA C 23 60.722 60.722 57.956 2.766 25483 116 1 . 1 1 23 23 LYS CB C 23 31.650 31.650 31.779 -0.129 25483 117 1 . 1 1 23 23 LYS H H 23 7.984 7.984 7.479 0.505 25483 118 1 . 1 1 24 24 ALA N N 24 120.042 120.042 122.632 -2.590 25483 119 1 . 1 1 24 24 ALA HA H 24 4.210 4.210 4.082 0.128 25483 120 1 . 1 1 24 24 ALA C C 24 180.610 180.610 179.788 0.822 25483 121 1 . 1 1 24 24 ALA CA C 24 54.865 54.865 54.980 -0.115 25483 122 1 . 1 1 24 24 ALA CB C 24 17.936 17.936 18.119 -0.183 25483 123 1 . 1 1 24 24 ALA H H 24 8.040 8.040 7.845 0.195 25483 124 1 . 1 1 25 25 LEU N N 25 119.514 119.514 119.394 0.120 25483 125 1 . 1 1 25 25 LEU HA H 25 4.152 4.152 3.997 0.155 25483 126 1 . 1 1 25 25 LEU C C 25 177.834 177.834 178.586 -0.752 25483 127 1 . 1 1 25 25 LEU CA C 25 57.688 57.688 57.694 -0.006 25483 128 1 . 1 1 25 25 LEU CB C 25 40.735 40.735 41.814 -1.079 25483 129 1 . 1 1 25 25 LEU H H 25 7.150 7.150 7.459 -0.309 25483 130 1 . 1 1 26 26 LEU N N 26 117.253 117.253 117.826 -0.573 25483 131 1 . 1 1 26 26 LEU HA H 26 3.753 3.753 3.872 -0.119 25483 132 1 . 1 1 26 26 LEU C C 26 178.553 178.553 178.765 -0.212 25483 133 1 . 1 1 26 26 LEU CA C 26 58.475 58.475 57.873 0.602 25483 134 1 . 1 1 26 26 LEU CB C 26 41.064 41.064 41.354 -0.290 25483 135 1 . 1 1 26 26 LEU H H 26 7.576 7.576 7.531 0.045 25483 136 1 . 1 1 27 27 ALA N N 27 119.606 119.606 118.931 0.675 25483 137 1 . 1 1 27 27 ALA HA H 27 4.341 4.341 4.263 0.078 25483 138 1 . 1 1 27 27 ALA C C 27 182.219 182.219 179.164 3.055 25483 139 1 . 1 1 27 27 ALA CA C 27 55.326 55.326 54.167 1.159 25483 140 1 . 1 1 27 27 ALA CB C 27 18.108 18.108 18.601 -0.493 25483 141 1 . 1 1 27 27 ALA H H 27 8.629 8.629 7.932 0.697 25483 142 1 . 1 1 28 28 ARG N N 28 121.081 121.081 119.510 1.571 25483 143 1 . 1 1 28 28 ARG HA H 28 4.165 4.165 4.200 -0.035 25483 144 1 . 1 1 28 28 ARG C C 28 178.659 178.659 177.745 0.914 25483 145 1 . 1 1 28 28 ARG CA C 28 59.181 59.181 58.070 1.111 25483 146 1 . 1 1 28 28 ARG CB C 28 29.920 29.920 30.672 -0.752 25483 147 1 . 1 1 28 28 ARG H H 28 7.992 7.992 7.859 0.133 25483 148 1 . 1 1 29 29 LYS N N 29 115.790 115.790 116.543 -0.753 25483 149 1 . 1 1 29 29 LYS HA H 29 4.234 4.234 4.435 -0.201 25483 150 1 . 1 1 29 29 LYS C C 29 176.666 176.666 176.509 0.157 25483 151 1 . 1 1 29 29 LYS CA C 29 54.945 54.945 55.770 -0.825 25483 152 1 . 1 1 29 29 LYS CB C 29 31.441 31.441 32.494 -1.053 25483 153 1 . 1 1 29 29 LYS H H 29 7.663 7.663 7.649 0.014 25483 154 1 . 1 1 30 30 GLY N N 30 107.767 107.767 108.548 -0.781 25483 155 1 . 1 1 30 30 GLY C C 30 174.014 174.014 174.841 -0.827 25483 156 1 . 1 1 30 30 GLY CA C 30 45.405 45.405 45.717 -0.312 25483 157 1 . 1 1 30 30 GLY H H 30 7.930 7.930 7.761 0.169 25483 158 1 . 1 1 31 31 ALA N N 31 122.192 122.192 121.384 0.808 25483 159 1 . 1 1 31 31 ALA HA H 31 4.503 4.503 4.269 0.233 25483 160 1 . 1 1 31 31 ALA C C 31 176.691 176.691 176.684 0.007 25483 161 1 . 1 1 31 31 ALA CA C 31 51.631 51.631 52.254 -0.623 25483 162 1 . 1 1 31 31 ALA CB C 31 19.938 19.938 20.161 -0.223 25483 163 1 . 1 1 31 31 ALA H H 31 7.844 7.844 7.740 0.104 25483 164 1 . 1 1 32 32 GLU N N 32 123.903 123.903 120.577 3.326 25483 165 1 . 1 1 32 32 GLU HA H 32 4.235 4.235 4.321 -0.086 25483 166 1 . 1 1 32 32 GLU C C 32 176.080 176.080 175.241 0.839 25483 167 1 . 1 1 32 32 GLU CA C 32 55.735 55.735 55.785 -0.050 25483 168 1 . 1 1 32 32 GLU CB C 32 29.777 29.777 31.087 -1.310 25483 169 1 . 1 1 32 32 GLU H H 32 8.337 8.337 8.516 -0.179 25483 170 1 . 1 1 33 33 PHE N N 33 116.634 116.634 117.920 -1.286 25483 171 1 . 1 1 33 33 PHE HA H 33 5.232 5.232 5.210 0.022 25483 172 1 . 1 1 33 33 PHE C C 33 173.397 173.397 173.736 -0.339 25483 173 1 . 1 1 33 33 PHE CA C 33 55.221 55.221 56.016 -0.795 25483 174 1 . 1 1 33 33 PHE CB C 33 41.508 41.508 41.214 0.294 25483 175 1 . 1 1 33 33 PHE H H 33 7.640 7.640 7.546 0.094 25483 176 1 . 1 1 34 34 ASN N N 34 120.133 120.133 119.739 0.393 25483 177 1 . 1 1 34 34 ASN HA H 34 4.971 4.971 4.932 0.039 25483 178 1 . 1 1 34 34 ASN C C 34 173.199 173.199 174.231 -1.033 25483 179 1 . 1 1 34 34 ASN CA C 34 52.180 52.180 52.099 0.081 25483 180 1 . 1 1 34 34 ASN CB C 34 39.840 39.840 41.104 -1.264 25483 181 1 . 1 1 34 34 ASN H H 34 8.921 8.921 8.476 0.445 25483 182 1 . 1 1 35 35 GLU N N 35 126.204 126.204 124.152 2.052 25483 183 1 . 1 1 35 35 GLU HA H 35 5.178 5.178 4.866 0.312 25483 184 1 . 1 1 35 35 GLU C C 35 175.185 175.185 175.881 -0.696 25483 185 1 . 1 1 35 35 GLU CA C 35 54.551 54.551 56.117 -1.566 25483 186 1 . 1 1 35 35 GLU CB C 35 31.437 31.437 31.181 0.256 25483 187 1 . 1 1 35 35 GLU H H 35 8.758 8.758 8.695 0.063 25483 188 1 . 1 1 36 36 ILE N N 36 130.012 130.012 121.976 8.036 25483 189 1 . 1 1 36 36 ILE HA H 36 4.161 4.161 4.160 0.001 25483 190 1 . 1 1 36 36 ILE C C 36 174.987 174.987 174.524 0.463 25483 191 1 . 1 1 36 36 ILE CA C 36 60.183 60.183 59.882 0.301 25483 192 1 . 1 1 36 36 ILE CB C 36 40.273 40.273 40.293 -0.021 25483 193 1 . 1 1 36 36 ILE H H 36 9.080 9.080 7.907 1.173 25483 194 1 . 1 1 37 37 ASP N N 37 125.921 125.921 127.888 -1.967 25483 195 1 . 1 1 37 37 ASP HA H 37 5.002 5.002 4.595 0.407 25483 196 1 . 1 1 37 37 ASP C C 37 176.847 176.847 175.422 1.425 25483 197 1 . 1 1 37 37 ASP CA C 37 52.878 52.878 54.128 -1.250 25483 198 1 . 1 1 37 37 ASP CB C 37 39.290 39.290 40.268 -0.978 25483 199 1 . 1 1 37 37 ASP H H 37 8.515 8.515 8.558 -0.043 25483 200 1 . 1 1 38 38 ALA N N 38 130.525 130.525 126.201 4.324 25483 201 1 . 1 1 38 38 ALA HA H 38 4.658 4.658 4.466 0.192 25483 202 1 . 1 1 38 38 ALA C C 38 175.507 175.507 177.526 -2.019 25483 203 1 . 1 1 38 38 ALA CA C 38 51.920 51.920 51.551 0.369 25483 204 1 . 1 1 38 38 ALA CB C 38 20.612 20.612 20.617 -0.005 25483 205 1 . 1 1 38 38 ALA H H 38 8.845 8.845 7.821 1.024 25483 206 1 . 1 1 39 39 SER N N 39 111.653 111.653 111.840 -0.187 25483 207 1 . 1 1 39 39 SER HA H 39 4.425 4.425 4.151 0.274 25483 208 1 . 1 1 39 39 SER C C 39 176.988 176.988 174.317 2.671 25483 209 1 . 1 1 39 39 SER CA C 39 59.504 59.504 59.380 0.124 25483 210 1 . 1 1 39 39 SER CB C 39 64.768 64.768 62.413 2.355 25483 211 1 . 1 1 39 39 SER H H 39 8.727 8.727 8.939 -0.212 25483 212 1 . 1 1 40 40 ALA N N 40 124.164 124.164 121.207 2.957 25483 213 1 . 1 1 40 40 ALA HA H 40 4.229 4.229 4.527 -0.298 25483 214 1 . 1 1 40 40 ALA C C 40 178.039 178.039 176.965 1.073 25483 215 1 . 1 1 40 40 ALA CA C 40 54.847 54.847 52.767 2.080 25483 216 1 . 1 1 40 40 ALA CB C 40 20.378 20.378 20.110 0.268 25483 217 1 . 1 1 40 40 ALA H H 40 7.543 7.543 8.326 -0.783 25483 218 1 . 1 1 41 41 THR N N 41 106.060 106.060 112.762 -6.702 25483 219 1 . 1 1 41 41 THR HA H 41 5.006 5.006 4.733 0.273 25483 220 1 . 1 1 41 41 THR C C 41 173.200 173.200 172.712 0.488 25483 221 1 . 1 1 41 41 THR CA C 41 57.856 57.856 59.145 -1.289 25483 222 1 . 1 1 41 41 THR CB C 41 70.541 70.541 70.088 0.453 25483 223 1 . 1 1 41 41 THR H H 41 7.162 7.162 7.611 -0.449 25483 224 1 . 1 1 42 42 PRO HA H 42 4.325 4.325 4.489 -0.164 25483 225 1 . 1 1 42 42 PRO C C 42 179.534 179.534 177.975 1.559 25483 226 1 . 1 1 42 42 PRO CA C 42 64.807 64.807 64.545 0.262 25483 227 1 . 1 1 42 42 PRO CB C 42 31.741 31.741 32.045 -0.304 25483 228 1 . 1 1 43 43 GLU N N 43 118.723 118.723 119.429 -0.706 25483 229 1 . 1 1 43 43 GLU HA H 43 4.108 4.108 4.157 -0.049 25483 230 1 . 1 1 43 43 GLU C C 43 179.692 179.692 178.454 1.238 25483 231 1 . 1 1 43 43 GLU CA C 43 60.721 60.721 58.962 1.759 25483 232 1 . 1 1 43 43 GLU CB C 43 28.551 28.551 29.502 -0.952 25483 233 1 . 1 1 43 43 GLU H H 43 9.124 9.124 8.210 0.913 25483 234 1 . 1 1 44 44 LEU N N 44 121.970 121.970 119.443 2.527 25483 235 1 . 1 1 44 44 LEU HA H 44 4.340 4.340 4.344 -0.004 25483 236 1 . 1 1 44 44 LEU C C 44 178.924 178.924 178.822 0.102 25483 237 1 . 1 1 44 44 LEU CA C 44 57.472 57.472 57.262 0.210 25483 238 1 . 1 1 44 44 LEU CB C 44 42.432 42.432 41.897 0.535 25483 239 1 . 1 1 44 44 LEU H H 44 7.838 7.838 7.581 0.257 25483 240 1 . 1 1 45 45 ARG N N 45 122.130 122.130 119.277 2.853 25483 241 1 . 1 1 45 45 ARG HA H 45 4.093 4.093 3.965 0.128 25483 242 1 . 1 1 45 45 ARG C C 45 178.955 178.955 178.275 0.680 25483 243 1 . 1 1 45 45 ARG CA C 45 60.124 60.124 59.324 0.800 25483 244 1 . 1 1 45 45 ARG CB C 45 30.147 30.147 29.770 0.377 25483 245 1 . 1 1 45 45 ARG H H 45 7.762 7.762 7.993 -0.231 25483 246 1 . 1 1 46 46 ALA N N 46 121.165 121.165 120.785 0.380 25483 247 1 . 1 1 46 46 ALA HA H 46 4.136 4.136 4.176 -0.040 25483 248 1 . 1 1 46 46 ALA C C 46 179.912 179.912 179.520 0.392 25483 249 1 . 1 1 46 46 ALA CA C 46 54.945 54.945 54.642 0.303 25483 250 1 . 1 1 46 46 ALA CB C 46 17.712 17.712 18.147 -0.435 25483 251 1 . 1 1 46 46 ALA H H 46 8.160 8.160 7.739 0.421 25483 252 1 . 1 1 47 47 GLU N N 47 120.906 120.906 119.172 1.734 25483 253 1 . 1 1 47 47 GLU HA H 47 4.053 4.053 4.091 -0.037 25483 254 1 . 1 1 47 47 GLU C C 47 178.039 178.039 179.066 -1.027 25483 255 1 . 1 1 47 47 GLU CA C 47 59.500 59.500 59.020 0.480 25483 256 1 . 1 1 47 47 GLU CB C 47 29.811 29.811 29.524 0.287 25483 257 1 . 1 1 47 47 GLU H H 47 7.918 7.918 7.807 0.111 25483 258 1 . 1 1 48 48 MET N N 48 118.645 118.645 117.762 0.883 25483 259 1 . 1 1 48 48 MET HA H 48 2.897 2.897 4.241 -1.344 25483 260 1 . 1 1 48 48 MET C C 48 180.282 180.282 177.992 2.290 25483 261 1 . 1 1 48 48 MET CA C 48 59.540 59.540 57.880 1.660 25483 262 1 . 1 1 48 48 MET CB C 48 33.502 33.502 32.468 1.034 25483 263 1 . 1 1 48 48 MET H H 48 8.047 8.047 7.828 0.219 25483 264 1 . 1 1 49 49 GLN N N 49 122.104 122.104 119.010 3.094 25483 265 1 . 1 1 49 49 GLN HA H 49 4.339 4.339 4.097 0.242 25483 266 1 . 1 1 49 49 GLN C C 49 178.780 178.780 177.677 1.103 25483 267 1 . 1 1 49 49 GLN CA C 49 58.744 58.744 58.465 0.279 25483 268 1 . 1 1 49 49 GLN CB C 49 28.238 28.238 28.237 0.001 25483 269 1 . 1 1 49 49 GLN H H 49 8.237 8.237 7.924 0.313 25483 270 1 . 1 1 50 50 GLU N N 50 121.947 121.947 119.183 2.764 25483 271 1 . 1 1 50 50 GLU HA H 50 3.969 3.969 4.124 -0.155 25483 272 1 . 1 1 50 50 GLU C C 50 178.863 178.863 177.896 0.967 25483 273 1 . 1 1 50 50 GLU CA C 50 59.131 59.131 58.513 0.618 25483 274 1 . 1 1 50 50 GLU CB C 50 29.719 29.719 29.731 -0.012 25483 275 1 . 1 1 50 50 GLU H H 50 8.659 8.659 7.856 0.803 25483 276 1 . 1 1 51 51 ARG N N 51 115.832 115.832 117.289 -1.457 25483 277 1 . 1 1 51 51 ARG HA H 51 4.060 4.060 4.435 -0.375 25483 278 1 . 1 1 51 51 ARG C C 51 177.748 177.748 176.574 1.174 25483 279 1 . 1 1 51 51 ARG CA C 51 58.480 58.480 55.447 3.033 25483 280 1 . 1 1 51 51 ARG CB C 51 31.158 31.158 30.567 0.591 25483 281 1 . 1 1 51 51 ARG H H 51 8.231 8.231 7.736 0.495 25483 282 1 . 1 1 52 52 SER N N 52 109.790 109.790 114.641 -4.851 25483 283 1 . 1 1 52 52 SER HA H 52 3.759 3.759 4.210 -0.451 25483 284 1 . 1 1 52 52 SER C C 52 174.149 174.149 174.790 -0.641 25483 285 1 . 1 1 52 52 SER CA C 52 58.883 58.883 59.236 -0.354 25483 286 1 . 1 1 52 52 SER CB C 52 66.744 66.744 63.047 3.697 25483 287 1 . 1 1 52 52 SER H H 52 8.032 8.032 7.879 0.153 25483 288 1 . 1 1 53 53 GLY N N 53 112.524 112.524 110.878 1.646 25483 289 1 . 1 1 53 53 GLY C C 53 173.690 173.690 174.222 -0.532 25483 290 1 . 1 1 53 53 GLY CA C 53 46.093 46.093 45.089 1.004 25483 291 1 . 1 1 53 53 GLY H H 53 8.239 8.239 8.392 -0.153 25483 292 1 . 1 1 54 54 ARG N N 54 119.453 119.453 120.535 -1.083 25483 293 1 . 1 1 54 54 ARG HA H 54 4.653 4.653 4.242 0.411 25483 294 1 . 1 1 54 54 ARG C C 54 174.144 174.144 175.796 -1.652 25483 295 1 . 1 1 54 54 ARG CA C 54 54.660 54.660 55.993 -1.333 25483 296 1 . 1 1 54 54 ARG CB C 54 35.255 35.255 30.835 4.420 25483 297 1 . 1 1 54 54 ARG H H 54 8.309 8.309 8.304 0.005 25483 298 1 . 1 1 55 55 ASN N N 55 112.521 112.521 117.696 -5.175 25483 299 1 . 1 1 55 55 ASN HA H 55 4.693 4.693 4.720 -0.027 25483 300 1 . 1 1 55 55 ASN C C 55 175.197 175.197 174.998 0.199 25483 301 1 . 1 1 55 55 ASN CA C 55 51.681 51.681 53.080 -1.400 25483 302 1 . 1 1 55 55 ASN CB C 55 39.468 39.468 38.304 1.164 25483 303 1 . 1 1 55 55 ASN H H 55 8.154 8.154 8.491 -0.337 25483 304 1 . 1 1 56 56 THR N N 56 107.919 107.919 113.124 -5.205 25483 305 1 . 1 1 56 56 THR HA H 56 4.356 4.356 4.166 0.190 25483 306 1 . 1 1 56 56 THR C C 56 172.477 172.477 174.243 -1.766 25483 307 1 . 1 1 56 56 THR CA C 56 59.438 59.438 62.661 -3.223 25483 308 1 . 1 1 56 56 THR CB C 56 70.636 70.636 69.425 1.211 25483 309 1 . 1 1 56 56 THR H H 56 6.778 6.778 7.506 -0.728 25483 310 1 . 1 1 57 57 PHE N N 57 117.789 117.789 117.343 0.446 25483 311 1 . 1 1 57 57 PHE HA H 57 4.725 4.725 4.942 -0.217 25483 312 1 . 1 1 57 57 PHE C C 57 174.241 174.241 173.662 0.579 25483 313 1 . 1 1 57 57 PHE CA C 57 55.088 55.088 53.631 1.457 25483 314 1 . 1 1 57 57 PHE CB C 57 43.506 43.506 38.316 5.190 25483 315 1 . 1 1 57 57 PHE H H 57 8.469 8.469 7.058 1.411 25483 316 1 . 1 1 58 58 PRO HA H 58 5.613 5.613 4.551 1.062 25483 317 1 . 1 1 58 58 PRO C C 58 177.062 177.062 176.020 1.042 25483 318 1 . 1 1 58 58 PRO CA C 58 63.182 63.182 62.782 0.400 25483 319 1 . 1 1 58 58 PRO CB C 58 36.461 36.461 32.994 3.467 25483 320 1 . 1 1 59 59 GLN N N 59 112.113 112.113 117.316 -5.203 25483 321 1 . 1 1 59 59 GLN HA H 59 4.820 4.820 4.933 -0.113 25483 322 1 . 1 1 59 59 GLN C C 59 175.655 175.655 175.739 -0.084 25483 323 1 . 1 1 59 59 GLN CA C 59 55.168 55.168 54.341 0.827 25483 324 1 . 1 1 59 59 GLN CB C 59 31.479 31.479 30.541 0.938 25483 325 1 . 1 1 59 59 GLN H H 59 8.041 8.041 8.166 -0.125 25483 326 1 . 1 1 60 60 ILE N N 60 123.134 123.134 122.849 0.285 25483 327 1 . 1 1 60 60 ILE HA H 60 4.958 4.958 4.652 0.306 25483 328 1 . 1 1 60 60 ILE C C 60 174.350 174.350 174.709 -0.359 25483 329 1 . 1 1 60 60 ILE CA C 60 61.174 61.174 59.597 1.577 25483 330 1 . 1 1 60 60 ILE CB C 60 40.828 40.828 39.228 1.599 25483 331 1 . 1 1 60 60 ILE H H 60 8.940 8.940 7.935 1.005 25483 332 1 . 1 1 61 61 PHE N N 61 128.163 128.163 123.887 4.276 25483 333 1 . 1 1 61 61 PHE HA H 61 5.393 5.393 5.002 0.391 25483 334 1 . 1 1 61 61 PHE C C 61 174.659 174.659 174.562 0.097 25483 335 1 . 1 1 61 61 PHE CA C 61 56.646 56.646 56.816 -0.170 25483 336 1 . 1 1 61 61 PHE CB C 61 41.735 41.735 43.243 -1.508 25483 337 1 . 1 1 61 61 PHE H H 61 9.645 9.645 8.945 0.700 25483 338 1 . 1 1 62 62 ILE N N 62 122.592 122.592 119.610 2.982 25483 339 1 . 1 1 62 62 ILE HA H 62 4.630 4.630 4.772 -0.142 25483 340 1 . 1 1 62 62 ILE C C 62 175.360 175.360 176.118 -0.758 25483 341 1 . 1 1 62 62 ILE CA C 62 61.008 61.008 59.873 1.134 25483 342 1 . 1 1 62 62 ILE CB C 62 39.569 39.569 39.449 0.120 25483 343 1 . 1 1 62 62 ILE H H 62 9.066 9.066 8.104 0.962 25483 344 1 . 1 1 63 63 GLY N N 63 116.263 116.263 117.926 -1.663 25483 345 1 . 1 1 63 63 GLY C C 63 175.630 175.630 174.749 0.881 25483 346 1 . 1 1 63 63 GLY CA C 63 47.253 47.253 46.332 0.921 25483 347 1 . 1 1 63 63 GLY H H 63 9.307 9.307 8.472 0.835 25483 348 1 . 1 1 64 64 SER N N 64 122.053 122.053 116.809 5.244 25483 349 1 . 1 1 64 64 SER HA H 64 4.566 4.566 4.565 0.001 25483 350 1 . 1 1 64 64 SER C C 64 173.891 173.891 173.662 0.229 25483 351 1 . 1 1 64 64 SER CA C 64 59.071 59.071 58.453 0.618 25483 352 1 . 1 1 64 64 SER CB C 64 63.895 63.895 63.582 0.313 25483 353 1 . 1 1 64 64 SER H H 64 9.236 9.236 8.568 0.668 25483 354 1 . 1 1 65 65 VAL N N 65 124.553 124.553 121.175 3.378 25483 355 1 . 1 1 65 65 VAL HA H 65 4.077 4.077 4.331 -0.254 25483 356 1 . 1 1 65 65 VAL C C 65 175.294 175.294 174.361 0.933 25483 357 1 . 1 1 65 65 VAL CA C 65 62.735 62.735 60.931 1.804 25483 358 1 . 1 1 65 65 VAL CB C 65 33.078 33.078 34.506 -1.428 25483 359 1 . 1 1 65 65 VAL H H 65 8.494 8.494 7.723 0.771 25483 360 1 . 1 1 66 66 HIS N N 66 102.561 102.561 125.153 -22.592 25483 361 1 . 1 1 66 66 HIS HA H 66 4.362 4.362 4.091 0.271 25483 362 1 . 1 1 66 66 HIS CA C 66 54.613 54.613 55.597 -0.984 25483 363 1 . 1 1 66 66 HIS CB C 66 30.941 30.941 30.817 0.124 25483 364 1 . 1 1 66 66 HIS H H 66 8.966 8.966 8.534 0.432 25483 365 1 . 1 1 67 67 VAL N N 67 130.151 130.151 125.750 4.401 25483 366 1 . 1 1 67 67 VAL HA H 67 3.430 3.430 4.290 -0.860 25483 367 1 . 1 1 67 67 VAL C C 67 174.677 174.677 175.125 -0.448 25483 368 1 . 1 1 67 67 VAL CA C 67 64.029 64.029 60.712 3.317 25483 369 1 . 1 1 67 67 VAL CB C 67 32.426 32.426 34.601 -2.175 25483 370 1 . 1 1 67 67 VAL H H 67 8.214 8.214 7.426 0.788 25483 371 1 . 1 1 68 68 GLY N N 68 102.768 102.768 114.184 -11.416 25483 372 1 . 1 1 68 68 GLY C C 68 173.023 173.023 174.094 -1.071 25483 373 1 . 1 1 68 68 GLY CA C 68 43.780 43.780 46.700 -2.920 25483 374 1 . 1 1 68 68 GLY H H 68 6.436 6.436 8.648 -2.212 25483 375 1 . 1 1 69 69 GLY N N 69 110.061 110.061 106.922 3.140 25483 376 1 . 1 1 69 69 GLY C C 69 175.375 175.375 174.352 1.023 25483 377 1 . 1 1 69 69 GLY CA C 69 43.923 43.923 44.694 -0.771 25483 378 1 . 1 1 69 69 GLY H H 69 9.004 9.004 7.405 1.599 25483 379 1 . 1 1 70 70 SER N N 70 113.592 113.592 117.272 -3.680 25483 380 1 . 1 1 70 70 SER HA H 70 3.894 3.894 3.934 -0.040 25483 381 1 . 1 1 70 70 SER CA C 70 62.816 62.816 61.921 0.895 25483 382 1 . 1 1 70 70 SER H H 70 8.088 8.088 8.420 -0.332 25483 383 1 . 1 1 71 71 ASP HA H 71 4.404 4.404 4.275 0.129 25483 384 1 . 1 1 71 71 ASP C C 71 179.115 179.115 177.957 1.158 25483 385 1 . 1 1 71 71 ASP CA C 71 57.610 57.610 57.119 0.491 25483 386 1 . 1 1 71 71 ASP CB C 71 39.325 39.325 40.285 -0.960 25483 387 1 . 1 1 72 72 ASP N N 72 119.325 119.325 120.043 -0.718 25483 388 1 . 1 1 72 72 ASP HA H 72 4.346 4.346 4.500 -0.154 25483 389 1 . 1 1 72 72 ASP C C 72 177.816 177.816 178.476 -0.660 25483 390 1 . 1 1 72 72 ASP CA C 72 57.213 57.213 56.634 0.579 25483 391 1 . 1 1 72 72 ASP CB C 72 41.409 41.409 40.931 0.478 25483 392 1 . 1 1 72 72 ASP H H 72 7.232 7.232 7.641 -0.409 25483 393 1 . 1 1 73 73 LEU N N 73 121.336 121.336 121.643 -0.307 25483 394 1 . 1 1 73 73 LEU HA H 73 3.773 3.773 3.863 -0.090 25483 395 1 . 1 1 73 73 LEU C C 73 177.957 177.957 178.358 -0.401 25483 396 1 . 1 1 73 73 LEU CA C 73 58.354 58.354 58.149 0.205 25483 397 1 . 1 1 73 73 LEU CB C 73 42.176 42.176 41.858 0.318 25483 398 1 . 1 1 73 73 LEU H H 73 7.789 7.789 8.095 -0.306 25483 399 1 . 1 1 74 74 TYR N N 74 116.570 116.570 117.397 -0.826 25483 400 1 . 1 1 74 74 TYR HA H 74 3.749 3.749 4.202 -0.453 25483 401 1 . 1 1 74 74 TYR C C 74 178.275 178.275 177.675 0.600 25483 402 1 . 1 1 74 74 TYR CA C 74 62.698 62.698 60.981 1.717 25483 403 1 . 1 1 74 74 TYR CB C 74 37.511 37.511 37.837 -0.325 25483 404 1 . 1 1 74 74 TYR H H 74 8.318 8.318 8.160 0.158 25483 405 1 . 1 1 75 75 ALA N N 75 122.593 122.593 122.765 -0.172 25483 406 1 . 1 1 75 75 ALA HA H 75 4.255 4.255 3.989 0.266 25483 407 1 . 1 1 75 75 ALA C C 75 180.162 180.162 179.309 0.853 25483 408 1 . 1 1 75 75 ALA CA C 75 55.603 55.603 55.139 0.464 25483 409 1 . 1 1 75 75 ALA CB C 75 17.629 17.629 18.185 -0.556 25483 410 1 . 1 1 75 75 ALA H H 75 8.082 8.082 7.629 0.453 25483 411 1 . 1 1 76 76 LEU N N 76 116.647 116.647 118.447 -1.800 25483 412 1 . 1 1 76 76 LEU HA H 76 4.055 4.055 3.877 0.178 25483 413 1 . 1 1 76 76 LEU C C 76 179.538 179.538 179.094 0.444 25483 414 1 . 1 1 76 76 LEU CA C 76 57.856 57.856 57.887 -0.031 25483 415 1 . 1 1 76 76 LEU CB C 76 42.677 42.677 41.416 1.261 25483 416 1 . 1 1 76 76 LEU H H 76 7.389 7.389 8.126 -0.737 25483 417 1 . 1 1 77 77 GLU N N 77 121.342 121.342 119.152 2.190 25483 418 1 . 1 1 77 77 GLU HA H 77 4.597 4.597 3.957 0.640 25483 419 1 . 1 1 77 77 GLU C C 77 179.674 179.674 178.878 0.796 25483 420 1 . 1 1 77 77 GLU CA C 77 58.031 58.031 59.481 -1.450 25483 421 1 . 1 1 77 77 GLU CB C 77 28.117 28.117 29.095 -0.978 25483 422 1 . 1 1 77 77 GLU H H 77 7.461 7.461 7.763 -0.302 25483 423 1 . 1 1 78 78 ASP N N 78 123.339 123.339 119.261 4.078 25483 424 1 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.478 -0.027 25483 425 1 . 1 1 78 78 ASP C C 78 178.412 178.412 178.317 0.095 25483 426 1 . 1 1 78 78 ASP CA C 78 57.470 57.470 56.731 0.739 25483 427 1 . 1 1 78 78 ASP CB C 78 40.544 40.544 40.991 -0.447 25483 428 1 . 1 1 78 78 ASP H H 78 8.650 8.650 7.783 0.867 25483 429 1 . 1 1 79 79 GLU N N 79 115.360 115.360 117.315 -1.955 25483 430 1 . 1 1 79 79 GLU HA H 79 4.332 4.332 4.205 0.127 25483 431 1 . 1 1 79 79 GLU C C 79 176.861 176.861 177.869 -1.009 25483 432 1 . 1 1 79 79 GLU CA C 79 56.315 56.315 57.026 -0.711 25483 433 1 . 1 1 79 79 GLU CB C 79 30.701 30.701 30.290 0.411 25483 434 1 . 1 1 79 79 GLU H H 79 7.791 7.791 7.967 -0.176 25483 435 1 . 1 1 80 80 GLY N N 80 108.851 108.851 107.284 1.567 25483 436 1 . 1 1 80 80 GLY C C 80 176.085 176.085 174.280 1.805 25483 437 1 . 1 1 80 80 GLY CA C 80 46.241 46.241 45.056 1.185 25483 438 1 . 1 1 80 80 GLY H H 80 8.078 8.078 8.206 -0.128 25483 439 1 . 1 1 81 81 LYS N N 81 116.858 116.858 119.239 -2.381 25483 440 1 . 1 1 81 81 LYS HA H 81 4.445 4.445 4.637 -0.192 25483 441 1 . 1 1 81 81 LYS C C 81 176.789 176.789 176.287 0.502 25483 442 1 . 1 1 81 81 LYS CA C 81 56.568 56.568 55.278 1.290 25483 443 1 . 1 1 81 81 LYS CB C 81 36.004 36.004 33.179 2.824 25483 444 1 . 1 1 81 81 LYS H H 81 8.216 8.216 8.288 -0.072 25483 445 1 . 1 1 82 82 LEU N N 82 122.543 122.543 117.438 5.105 25483 446 1 . 1 1 82 82 LEU HA H 82 4.041 4.041 4.198 -0.157 25483 447 1 . 1 1 82 82 LEU C C 82 177.466 177.466 177.625 -0.159 25483 448 1 . 1 1 82 82 LEU CA C 82 57.497 57.497 57.786 -0.289 25483 449 1 . 1 1 82 82 LEU CB C 82 40.489 40.489 41.648 -1.159 25483 450 1 . 1 1 82 82 LEU H H 82 7.516 7.516 7.829 -0.313 25483 451 1 . 1 1 83 83 ASP N N 83 119.643 119.643 120.142 -0.499 25483 452 1 . 1 1 83 83 ASP HA H 83 4.306 4.306 4.294 0.012 25483 453 1 . 1 1 83 83 ASP C C 83 178.744 178.744 178.121 0.623 25483 454 1 . 1 1 83 83 ASP CA C 83 58.738 58.738 57.500 1.238 25483 455 1 . 1 1 83 83 ASP CB C 83 39.954 39.954 40.196 -0.242 25483 456 1 . 1 1 83 83 ASP H H 83 8.662 8.662 8.543 0.119 25483 457 1 . 1 1 84 84 SER N N 84 113.208 113.208 114.415 -1.207 25483 458 1 . 1 1 84 84 SER HA H 84 4.266 4.266 4.276 -0.010 25483 459 1 . 1 1 84 84 SER C C 84 177.581 177.581 176.399 1.182 25483 460 1 . 1 1 84 84 SER CA C 84 61.483 61.483 60.924 0.559 25483 461 1 . 1 1 84 84 SER CB C 84 62.667 62.667 63.018 -0.351 25483 462 1 . 1 1 84 84 SER H H 84 8.425 8.425 8.371 0.054 25483 463 1 . 1 1 85 85 LEU N N 85 126.393 126.393 123.097 3.296 25483 464 1 . 1 1 85 85 LEU HA H 85 4.355 4.355 4.230 0.125 25483 465 1 . 1 1 85 85 LEU C C 85 178.692 178.692 177.857 0.835 25483 466 1 . 1 1 85 85 LEU CA C 85 58.409 58.409 57.968 0.441 25483 467 1 . 1 1 85 85 LEU CB C 85 41.515 41.515 42.217 -0.702 25483 468 1 . 1 1 85 85 LEU H H 85 7.577 7.577 7.384 0.193 25483 469 1 . 1 1 86 86 LEU N N 86 117.833 117.833 113.372 4.460 25483 470 1 . 1 1 86 86 LEU HA H 86 3.883 3.883 4.337 -0.454 25483 471 1 . 1 1 86 86 LEU C C 86 177.470 177.470 178.202 -0.732 25483 472 1 . 1 1 86 86 LEU CA C 86 57.781 57.781 56.765 1.016 25483 473 1 . 1 1 86 86 LEU CB C 86 41.802 41.802 41.415 0.387 25483 474 1 . 1 1 86 86 LEU H H 86 8.406 8.406 8.287 0.119 25483 475 1 . 1 1 87 87 LYS N N 87 113.997 113.997 117.518 -3.521 25483 476 1 . 1 1 87 87 LYS HA H 87 4.389 4.389 4.282 0.107 25483 477 1 . 1 1 87 87 LYS C C 87 178.282 178.282 177.184 1.098 25483 478 1 . 1 1 87 87 LYS CA C 87 58.334 58.334 58.191 0.143 25483 479 1 . 1 1 87 87 LYS CB C 87 33.913 33.913 33.816 0.097 25483 480 1 . 1 1 87 87 LYS H H 87 7.548 7.548 7.821 -0.273 25483 481 1 . 1 1 88 88 THR N N 88 106.050 106.050 107.631 -1.581 25483 482 1 . 1 1 88 88 THR HA H 88 4.545 4.545 4.479 0.066 25483 483 1 . 1 1 88 88 THR C C 88 176.566 176.566 174.029 2.537 25483 484 1 . 1 1 88 88 THR CA C 88 62.396 62.396 62.085 0.311 25483 485 1 . 1 1 88 88 THR CB C 88 72.438 72.438 71.625 0.813 25483 486 1 . 1 1 88 88 THR H H 88 8.178 8.178 7.944 0.234 25483 487 1 . 1 1 89 89 GLY N N 89 112.811 112.811 111.467 1.344 25483 488 1 . 1 1 89 89 GLY C C 89 171.985 171.985 172.866 -0.881 25483 489 1 . 1 1 89 89 GLY CA C 89 46.816 46.816 45.229 1.587 25483 490 1 . 1 1 89 89 GLY H H 89 9.153 9.153 8.055 1.098 25483 491 1 . 1 1 90 90 LYS N N 90 117.650 117.650 122.083 -4.433 25483 492 1 . 1 1 90 90 LYS HA H 90 4.510 4.510 4.625 -0.115 25483 493 1 . 1 1 90 90 LYS C C 90 174.330 174.330 175.828 -1.498 25483 494 1 . 1 1 90 90 LYS CA C 90 54.609 54.609 54.818 -0.209 25483 495 1 . 1 1 90 90 LYS CB C 90 35.701 35.701 34.499 1.202 25483 496 1 . 1 1 90 90 LYS H H 90 7.940 7.940 7.997 -0.057 25483 497 1 . 1 1 91 91 LEU N N 91 123.149 123.149 121.049 2.100 25483 498 1 . 1 1 91 91 LEU HA H 91 4.469 4.469 4.484 -0.015 25483 499 1 . 1 1 91 91 LEU C C 91 175.848 175.848 177.216 -1.368 25483 500 1 . 1 1 91 91 LEU CA C 91 54.600 54.600 55.905 -1.305 25483 501 1 . 1 1 91 91 LEU CB C 91 43.011 43.011 42.133 0.878 25483 502 1 . 1 1 91 91 LEU H H 91 8.501 8.501 8.409 0.092 25483 stop_ save_