data_18230 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18230 _Entry.PDB_ID 2LP2 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 18230 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER HA H 2 4.757 4.757 4.502 0.255 18230 2 1 1 . 1 1 2 2 SER CA C 2 57.482 57.482 58.522 -1.040 18230 3 1 1 . 1 1 2 2 SER CB C 2 64.893 64.893 64.427 0.466 18230 4 1 1 . 1 1 3 3 GLU N N 3 123.948 123.948 122.773 1.175 18230 5 1 1 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.060 0.065 18230 6 1 1 . 1 1 3 3 GLU C C 3 179.443 179.443 179.348 0.095 18230 7 1 1 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.346 0.954 18230 8 1 1 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.679 -0.107 18230 9 1 1 . 1 1 3 3 GLU H H 3 9.442 9.442 8.908 0.534 18230 10 1 1 . 1 1 4 4 LEU N N 4 120.236 120.236 120.869 -0.633 18230 11 1 1 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.057 0.018 18230 12 1 1 . 1 1 4 4 LEU CA C 4 58.091 58.091 58.125 -0.034 18230 13 1 1 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.577 0.925 18230 14 1 1 . 1 1 4 4 LEU H H 4 8.907 8.907 8.091 0.816 18230 15 1 1 . 1 1 5 5 GLU N N 5 119.034 119.034 118.546 0.488 18230 16 1 1 . 1 1 5 5 GLU HA H 5 3.968 3.968 3.973 -0.005 18230 17 1 1 . 1 1 5 5 GLU C C 5 179.234 179.234 178.962 0.272 18230 18 1 1 . 1 1 5 5 GLU CA C 5 60.140 60.140 60.066 0.074 18230 19 1 1 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.488 -0.073 18230 20 1 1 . 1 1 5 5 GLU H H 5 8.296 8.296 8.591 -0.295 18230 21 1 1 . 1 1 6 6 THR N N 6 116.586 116.586 117.010 -0.424 18230 22 1 1 . 1 1 6 6 THR HA H 6 4.008 4.008 4.010 -0.002 18230 23 1 1 . 1 1 6 6 THR CA C 6 66.397 66.397 66.501 -0.104 18230 24 1 1 . 1 1 6 6 THR CB C 6 68.595 68.595 68.766 -0.171 18230 25 1 1 . 1 1 6 6 THR H H 6 8.282 8.282 8.040 0.242 18230 26 1 1 . 1 1 7 7 ALA N N 7 126.275 126.275 124.626 1.649 18230 27 1 1 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.092 0.091 18230 28 1 1 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.100 0.513 18230 29 1 1 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.252 -0.312 18230 30 1 1 . 1 1 7 7 ALA H H 7 8.141 8.141 8.145 -0.004 18230 31 1 1 . 1 1 8 8 MET N N 8 117.071 117.071 118.087 -1.016 18230 32 1 1 . 1 1 8 8 MET HA H 8 3.834 3.834 4.004 -0.170 18230 33 1 1 . 1 1 8 8 MET C C 8 177.846 177.846 178.845 -0.999 18230 34 1 1 . 1 1 8 8 MET CA C 8 60.757 60.757 59.693 1.064 18230 35 1 1 . 1 1 8 8 MET CB C 8 34.012 34.012 32.527 1.485 18230 36 1 1 . 1 1 8 8 MET H H 8 8.269 8.269 8.258 0.011 18230 37 1 1 . 1 1 9 9 GLU N N 9 117.667 117.667 118.812 -1.145 18230 38 1 1 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.077 -0.149 18230 39 1 1 . 1 1 9 9 GLU C C 9 178.933 178.933 179.083 -0.150 18230 40 1 1 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.764 0.099 18230 41 1 1 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.499 -0.238 18230 42 1 1 . 1 1 9 9 GLU H H 9 8.105 8.105 8.666 -0.561 18230 43 1 1 . 1 1 10 10 THR N N 10 118.326 118.326 118.038 0.288 18230 44 1 1 . 1 1 10 10 THR HA H 10 4.075 4.075 4.083 -0.008 18230 45 1 1 . 1 1 10 10 THR CA C 10 67.311 67.311 67.315 -0.004 18230 46 1 1 . 1 1 10 10 THR CB C 10 67.934 67.934 68.454 -0.520 18230 47 1 1 . 1 1 10 10 THR H H 10 8.407 8.407 8.209 0.198 18230 48 1 1 . 1 1 11 11 LEU N N 11 119.765 119.765 121.796 -2.031 18230 49 1 1 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.068 -0.140 18230 50 1 1 . 1 1 11 11 LEU C C 11 180.896 180.896 178.948 1.948 18230 51 1 1 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.407 0.874 18230 52 1 1 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.354 0.246 18230 53 1 1 . 1 1 11 11 LEU H H 11 8.131 8.131 8.201 -0.070 18230 54 1 1 . 1 1 12 12 ILE N N 12 119.540 119.540 120.362 -0.822 18230 55 1 1 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.816 0.139 18230 56 1 1 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.825 -0.093 18230 57 1 1 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.650 1.736 18230 58 1 1 . 1 1 12 12 ILE H H 12 7.715 7.715 8.486 -0.771 18230 59 1 1 . 1 1 13 13 ASN N N 13 121.587 121.587 118.127 3.460 18230 60 1 1 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.531 -0.000 18230 61 1 1 . 1 1 13 13 ASN C C 13 178.867 178.867 178.115 0.752 18230 62 1 1 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.190 0.239 18230 63 1 1 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.249 -0.187 18230 64 1 1 . 1 1 13 13 ASN H H 13 9.040 9.040 8.456 0.584 18230 65 1 1 . 1 1 14 14 VAL N N 14 120.603 120.603 118.007 2.596 18230 66 1 1 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.856 -0.049 18230 67 1 1 . 1 1 14 14 VAL C C 14 177.113 177.113 177.230 -0.117 18230 68 1 1 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.206 0.302 18230 69 1 1 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.019 0.578 18230 70 1 1 . 1 1 14 14 VAL H H 14 8.954 8.954 8.298 0.656 18230 71 1 1 . 1 1 15 15 PHE N N 15 117.585 117.585 122.614 -5.029 18230 72 1 1 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.557 -0.098 18230 73 1 1 . 1 1 15 15 PHE C C 15 177.257 177.257 176.631 0.626 18230 74 1 1 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.969 0.607 18230 75 1 1 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.348 0.704 18230 76 1 1 . 1 1 15 15 PHE H H 15 6.956 6.956 8.451 -1.495 18230 77 1 1 . 1 1 16 16 HIS N N 16 115.204 115.204 119.792 -4.588 18230 78 1 1 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.921 0.918 18230 79 1 1 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.081 -0.603 18230 80 1 1 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.639 -0.719 18230 81 1 1 . 1 1 16 16 HIS H H 16 7.736 7.736 8.623 -0.887 18230 82 1 1 . 1 1 17 17 ALA N N 17 123.201 123.201 121.829 1.372 18230 83 1 1 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.805 0.231 18230 84 1 1 . 1 1 17 17 ALA C C 17 178.867 178.867 179.646 -0.779 18230 85 1 1 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.929 -0.784 18230 86 1 1 . 1 1 17 17 ALA CB C 17 17.661 17.661 17.984 -0.323 18230 87 1 1 . 1 1 17 17 ALA H H 17 8.066 8.066 7.943 0.123 18230 88 1 1 . 1 1 18 18 HIS N N 18 113.974 113.974 116.647 -2.673 18230 89 1 1 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.163 0.209 18230 90 1 1 . 1 1 18 18 HIS C C 18 175.568 175.568 177.563 -1.995 18230 91 1 1 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.359 -1.946 18230 92 1 1 . 1 1 18 18 HIS CB C 18 32.753 32.753 30.124 2.629 18230 93 1 1 . 1 1 18 18 HIS H H 18 7.047 7.047 8.253 -1.206 18230 94 1 1 . 1 1 19 19 SER N N 19 113.745 113.745 115.001 -1.256 18230 95 1 1 . 1 1 19 19 SER HA H 19 3.658 3.658 4.139 -0.481 18230 96 1 1 . 1 1 19 19 SER CA C 19 61.247 61.247 60.767 0.480 18230 97 1 1 . 1 1 19 19 SER CB C 19 61.323 61.323 62.258 -0.935 18230 98 1 1 . 1 1 19 19 SER H H 19 8.470 8.470 8.064 0.406 18230 99 1 1 . 1 1 20 20 GLY N N 20 111.711 111.711 108.837 2.874 18230 100 1 1 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.797 -0.415 18230 101 1 1 . 1 1 20 20 GLY H H 20 7.739 7.739 7.493 0.246 18230 102 1 1 . 1 1 21 21 LYS N N 21 122.328 122.328 120.804 1.524 18230 103 1 1 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.873 0.041 18230 104 1 1 . 1 1 21 21 LYS C C 21 177.192 177.192 177.145 0.047 18230 105 1 1 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.189 1.148 18230 106 1 1 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.641 0.047 18230 107 1 1 . 1 1 21 21 LYS H H 21 7.200 7.200 7.419 -0.219 18230 108 1 1 . 1 1 22 22 GLU N N 22 115.975 115.975 117.384 -1.409 18230 109 1 1 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.381 0.276 18230 110 1 1 . 1 1 22 22 GLU C C 22 175.882 175.882 175.649 0.233 18230 111 1 1 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.061 -0.957 18230 112 1 1 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.703 0.300 18230 113 1 1 . 1 1 22 22 GLU H H 22 9.369 9.369 7.724 1.645 18230 114 1 1 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.224 0.612 18230 115 1 1 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.929 0.347 18230 116 1 1 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.872 -0.892 18230 117 1 1 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.479 -1.271 18230 118 1 1 . 1 1 26 26 TYR N N 26 119.825 119.825 114.712 5.113 18230 119 1 1 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.802 -0.097 18230 120 1 1 . 1 1 26 26 TYR C C 26 173.696 173.696 175.091 -1.395 18230 121 1 1 . 1 1 26 26 TYR CA C 26 56.180 56.180 57.699 -1.519 18230 122 1 1 . 1 1 26 26 TYR CB C 26 38.049 38.049 37.798 0.251 18230 123 1 1 . 1 1 26 26 TYR H H 26 9.414 9.414 7.938 1.476 18230 124 1 1 . 1 1 27 27 LYS N N 27 114.922 114.922 120.008 -5.086 18230 125 1 1 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.927 0.193 18230 126 1 1 . 1 1 27 27 LYS C C 27 174.678 174.678 174.527 0.151 18230 127 1 1 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.851 0.139 18230 128 1 1 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.652 2.189 18230 129 1 1 . 1 1 27 27 LYS H H 27 7.107 7.107 7.987 -0.880 18230 130 1 1 . 1 1 28 28 LEU N N 28 125.976 125.976 128.781 -2.805 18230 131 1 1 . 1 1 28 28 LEU HA H 28 5.184 5.184 5.035 0.149 18230 132 1 1 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.833 -0.058 18230 133 1 1 . 1 1 28 28 LEU CB C 28 43.037 43.037 46.189 -3.152 18230 134 1 1 . 1 1 28 28 LEU H H 28 9.757 9.757 9.226 0.531 18230 135 1 1 . 1 1 29 29 SER N N 29 121.025 121.025 120.660 0.365 18230 136 1 1 . 1 1 29 29 SER HA H 29 4.558 4.558 4.831 -0.273 18230 137 1 1 . 1 1 29 29 SER C C 29 174.338 174.338 175.360 -1.022 18230 138 1 1 . 1 1 29 29 SER CA C 29 56.208 56.208 56.049 0.159 18230 139 1 1 . 1 1 29 29 SER CB C 29 65.480 65.480 65.895 -0.415 18230 140 1 1 . 1 1 29 29 SER H H 29 9.908 9.908 8.253 1.655 18230 141 1 1 . 1 1 30 30 LYS N N 30 120.385 120.385 123.166 -2.781 18230 142 1 1 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.852 -0.005 18230 143 1 1 . 1 1 30 30 LYS C C 30 177.859 177.859 178.442 -0.583 18230 144 1 1 . 1 1 30 30 LYS CA C 30 61.302 61.302 61.050 0.252 18230 145 1 1 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.464 -0.453 18230 146 1 1 . 1 1 30 30 LYS H H 30 8.845 8.845 9.135 -0.290 18230 147 1 1 . 1 1 31 31 LYS N N 31 118.358 118.358 116.827 1.531 18230 148 1 1 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.051 -0.150 18230 149 1 1 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.128 0.485 18230 150 1 1 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.846 1.153 18230 151 1 1 . 1 1 31 31 LYS H H 31 7.924 7.924 8.304 -0.380 18230 152 1 1 . 1 1 32 32 GLU N N 32 119.355 119.355 120.362 -1.007 18230 153 1 1 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.100 -0.199 18230 154 1 1 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.137 -0.299 18230 155 1 1 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.740 0.923 18230 156 1 1 . 1 1 32 32 GLU H H 32 7.502 7.502 7.534 -0.032 18230 157 1 1 . 1 1 33 33 LEU N N 33 119.533 119.533 117.563 1.970 18230 158 1 1 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.081 -0.173 18230 159 1 1 . 1 1 33 33 LEU C C 33 177.571 177.571 178.713 -1.142 18230 160 1 1 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.471 -0.696 18230 161 1 1 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.104 0.385 18230 162 1 1 . 1 1 33 33 LEU H H 33 9.076 9.076 8.675 0.402 18230 163 1 1 . 1 1 34 34 LYS N N 34 119.251 119.251 119.407 -0.156 18230 164 1 1 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.914 -0.268 18230 165 1 1 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.354 1.229 18230 166 1 1 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.972 0.093 18230 167 1 1 . 1 1 34 34 LYS H H 34 8.262 8.262 8.428 -0.166 18230 168 1 1 . 1 1 35 35 GLU N N 35 117.642 117.642 119.572 -1.930 18230 169 1 1 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.130 -0.135 18230 170 1 1 . 1 1 35 35 GLU C C 35 178.776 178.776 178.880 -0.104 18230 171 1 1 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.084 0.501 18230 172 1 1 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.844 -0.895 18230 173 1 1 . 1 1 35 35 GLU H H 35 7.742 7.742 7.820 -0.078 18230 174 1 1 . 1 1 36 36 LEU N N 36 124.753 124.753 122.429 2.324 18230 175 1 1 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.050 -0.354 18230 176 1 1 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.228 2.469 18230 177 1 1 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.746 0.222 18230 178 1 1 . 1 1 36 36 LEU H H 36 8.304 8.304 8.229 0.075 18230 179 1 1 . 1 1 37 37 LEU N N 37 119.058 119.058 117.900 1.158 18230 180 1 1 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.985 -0.258 18230 181 1 1 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.055 0.257 18230 182 1 1 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.816 0.983 18230 183 1 1 . 1 1 37 37 LEU H H 37 8.684 8.684 8.369 0.315 18230 184 1 1 . 1 1 38 38 GLN N N 38 114.728 114.728 116.528 -1.800 18230 185 1 1 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.264 -0.323 18230 186 1 1 . 1 1 38 38 GLN C C 38 177.584 177.584 178.255 -0.671 18230 187 1 1 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.564 -0.086 18230 188 1 1 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.919 0.108 18230 189 1 1 . 1 1 38 38 GLN H H 38 8.510 8.510 7.634 0.876 18230 190 1 1 . 1 1 39 39 THR N N 39 110.419 110.419 110.431 -0.012 18230 191 1 1 . 1 1 39 39 THR HA H 39 4.238 4.238 4.195 0.043 18230 192 1 1 . 1 1 39 39 THR C C 39 176.341 176.341 175.826 0.515 18230 193 1 1 . 1 1 39 39 THR CA C 39 64.874 64.874 64.928 -0.054 18230 194 1 1 . 1 1 39 39 THR CB C 39 69.919 69.919 69.220 0.699 18230 195 1 1 . 1 1 39 39 THR H H 39 7.863 7.863 8.069 -0.206 18230 196 1 1 . 1 1 40 40 GLU N N 40 117.514 117.514 120.838 -3.324 18230 197 1 1 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.437 0.316 18230 198 1 1 . 1 1 40 40 GLU C C 40 177.807 177.807 176.826 0.981 18230 199 1 1 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.366 -0.884 18230 200 1 1 . 1 1 40 40 GLU CB C 40 31.789 31.789 30.940 0.849 18230 201 1 1 . 1 1 40 40 GLU H H 40 8.468 8.468 8.175 0.293 18230 202 1 1 . 1 1 41 41 LEU N N 41 121.141 121.141 120.608 0.533 18230 203 1 1 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.708 0.305 18230 204 1 1 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.046 -1.216 18230 205 1 1 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.384 0.239 18230 206 1 1 . 1 1 41 41 LEU H H 41 7.682 7.682 8.371 -0.689 18230 207 1 1 . 1 1 42 42 SER N N 42 116.557 116.557 118.137 -1.580 18230 208 1 1 . 1 1 42 42 SER HA H 42 4.055 4.055 4.472 -0.417 18230 209 1 1 . 1 1 42 42 SER C C 42 176.537 176.537 176.414 0.123 18230 210 1 1 . 1 1 42 42 SER CA C 42 61.552 61.552 60.274 1.278 18230 211 1 1 . 1 1 42 42 SER CB C 42 62.783 62.783 64.223 -1.440 18230 212 1 1 . 1 1 42 42 SER H H 42 8.186 8.186 8.855 -0.669 18230 213 1 1 . 1 1 43 43 GLY N N 43 111.517 111.517 110.752 0.765 18230 214 1 1 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.875 -0.828 18230 215 1 1 . 1 1 43 43 GLY H H 43 8.880 8.880 8.789 0.091 18230 216 1 1 . 1 1 44 44 PHE N N 44 122.405 122.405 119.961 2.444 18230 217 1 1 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.168 0.189 18230 218 1 1 . 1 1 44 44 PHE C C 44 176.851 176.851 177.521 -0.670 18230 219 1 1 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.247 -1.412 18230 220 1 1 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.648 0.972 18230 221 1 1 . 1 1 44 44 PHE H H 44 7.972 7.972 8.010 -0.038 18230 222 1 1 . 1 1 45 45 LEU N N 45 119.444 119.444 118.696 0.748 18230 223 1 1 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.137 -0.208 18230 224 1 1 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.974 -0.711 18230 225 1 1 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.232 0.725 18230 226 1 1 . 1 1 45 45 LEU H H 45 8.148 8.148 7.733 0.415 18230 227 1 1 . 1 1 46 46 ASP N N 46 120.023 120.023 120.387 -0.364 18230 228 1 1 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.401 -0.025 18230 229 1 1 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.853 -1.171 18230 230 1 1 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.863 -0.075 18230 231 1 1 . 1 1 46 46 ASP H H 46 8.307 8.307 8.584 -0.277 18230 232 1 1 . 1 1 47 47 ALA N N 47 121.156 121.156 122.401 -1.245 18230 233 1 1 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.062 0.094 18230 234 1 1 . 1 1 47 47 ALA CA C 47 52.913 52.913 54.556 -1.643 18230 235 1 1 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.213 0.441 18230 236 1 1 . 1 1 47 47 ALA H H 47 7.606 7.606 7.947 -0.341 18230 237 1 1 . 1 1 48 48 GLN N N 48 116.408 116.408 116.651 -0.243 18230 238 1 1 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.138 -0.002 18230 239 1 1 . 1 1 48 48 GLN C C 48 175.882 175.882 177.465 -1.583 18230 240 1 1 . 1 1 48 48 GLN CA C 48 55.362 55.362 56.532 -1.170 18230 241 1 1 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.868 -0.386 18230 242 1 1 . 1 1 48 48 GLN H H 48 7.665 7.665 7.883 -0.218 18230 243 1 1 . 1 1 49 49 LYS HA H 49 4.129 4.129 3.968 0.161 18230 244 1 1 . 1 1 49 49 LYS CA C 49 56.706 56.706 58.285 -1.579 18230 245 1 1 . 1 1 49 49 LYS CB C 49 32.298 32.298 31.352 0.946 18230 246 1 1 . 1 1 50 50 ASP N N 50 118.824 118.824 120.124 -1.300 18230 247 1 1 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.660 -0.112 18230 248 1 1 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.303 -0.338 18230 249 1 1 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.322 0.713 18230 250 1 1 . 1 1 50 50 ASP H H 50 7.982 7.982 7.972 0.010 18230 251 1 1 . 1 1 51 51 VAL N N 51 121.055 121.055 120.000 1.055 18230 252 1 1 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.926 0.025 18230 253 1 1 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.922 -1.266 18230 254 1 1 . 1 1 51 51 VAL CB C 51 32.000 32.000 32.131 -0.131 18230 255 1 1 . 1 1 51 51 VAL H H 51 8.231 8.231 8.266 -0.035 18230 256 1 1 . 1 1 52 52 ASP N N 52 121.189 121.189 119.638 1.551 18230 257 1 1 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.608 0.151 18230 258 1 1 . 1 1 52 52 ASP C C 52 176.367 176.367 177.043 -0.676 18230 259 1 1 . 1 1 52 52 ASP CA C 52 53.716 53.716 54.952 -1.236 18230 260 1 1 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.455 0.944 18230 261 1 1 . 1 1 52 52 ASP H H 52 8.410 8.410 8.669 -0.259 18230 262 1 1 . 1 1 53 53 ALA N N 53 123.582 123.582 123.377 0.205 18230 263 1 1 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.049 -0.117 18230 264 1 1 . 1 1 53 53 ALA C C 53 179.208 179.208 178.705 0.503 18230 265 1 1 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.204 0.063 18230 266 1 1 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.596 0.561 18230 267 1 1 . 1 1 53 53 ALA H H 53 7.755 7.755 7.382 0.373 18230 268 1 1 . 1 1 54 54 VAL N N 54 116.235 116.235 118.350 -2.115 18230 269 1 1 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.642 -0.187 18230 270 1 1 . 1 1 54 54 VAL C C 54 176.432 176.432 176.830 -0.398 18230 271 1 1 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.255 -0.011 18230 272 1 1 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.850 -1.086 18230 273 1 1 . 1 1 54 54 VAL H H 54 8.300 8.300 7.735 0.565 18230 274 1 1 . 1 1 55 55 ASP N N 55 120.594 120.594 119.192 1.402 18230 275 1 1 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.332 -0.177 18230 276 1 1 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.827 -0.243 18230 277 1 1 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.187 0.643 18230 278 1 1 . 1 1 55 55 ASP H H 55 7.684 7.684 8.443 -0.759 18230 279 1 1 . 1 1 56 56 LYS N N 56 119.178 119.178 120.165 -0.987 18230 280 1 1 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.054 -0.126 18230 281 1 1 . 1 1 56 56 LYS C C 56 178.697 178.697 179.331 -0.634 18230 282 1 1 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.381 0.122 18230 283 1 1 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.591 -0.301 18230 284 1 1 . 1 1 56 56 LYS H H 56 7.638 7.638 8.001 -0.363 18230 285 1 1 . 1 1 57 57 VAL N N 57 119.870 119.870 119.358 0.512 18230 286 1 1 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.757 -0.033 18230 287 1 1 . 1 1 57 57 VAL C C 57 177.558 177.558 178.327 -0.769 18230 288 1 1 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.589 -0.663 18230 289 1 1 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.766 -0.619 18230 290 1 1 . 1 1 57 57 VAL H H 57 7.928 7.928 8.338 -0.410 18230 291 1 1 . 1 1 58 58 MET N N 58 118.736 118.736 118.763 -0.027 18230 292 1 1 . 1 1 58 58 MET HA H 58 3.928 3.928 4.176 -0.248 18230 293 1 1 . 1 1 58 58 MET C C 58 177.021 177.021 177.757 -0.736 18230 294 1 1 . 1 1 58 58 MET CA C 58 58.534 58.534 58.796 -0.262 18230 295 1 1 . 1 1 58 58 MET CB C 58 32.065 32.065 31.997 0.068 18230 296 1 1 . 1 1 58 58 MET H H 58 8.443 8.443 8.474 -0.031 18230 297 1 1 . 1 1 59 59 LYS N N 59 116.214 116.214 118.744 -2.530 18230 298 1 1 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.954 0.014 18230 299 1 1 . 1 1 59 59 LYS C C 59 178.893 178.893 178.102 0.791 18230 300 1 1 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.417 -0.551 18230 301 1 1 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.939 0.126 18230 302 1 1 . 1 1 59 59 LYS H H 59 7.629 7.629 7.847 -0.218 18230 303 1 1 . 1 1 60 60 GLU N N 60 117.288 117.288 118.160 -0.872 18230 304 1 1 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.159 -0.124 18230 305 1 1 . 1 1 60 60 GLU C C 60 178.173 178.173 178.098 0.075 18230 306 1 1 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.354 -0.125 18230 307 1 1 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.575 0.231 18230 308 1 1 . 1 1 60 60 GLU H H 60 7.599 7.599 7.830 -0.231 18230 309 1 1 . 1 1 61 61 LEU N N 61 116.163 116.163 116.776 -0.613 18230 310 1 1 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.144 0.226 18230 311 1 1 . 1 1 61 61 LEU C C 61 178.893 178.893 178.129 0.764 18230 312 1 1 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.594 -1.355 18230 313 1 1 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.310 1.631 18230 314 1 1 . 1 1 61 61 LEU H H 61 8.060 8.060 7.327 0.733 18230 315 1 1 . 1 1 62 62 ASP N N 62 116.934 116.934 118.679 -1.745 18230 316 1 1 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.936 -0.270 18230 317 1 1 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.664 -0.419 18230 318 1 1 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.456 -0.447 18230 319 1 1 . 1 1 62 62 ASP H H 62 8.012 8.012 8.154 -0.142 18230 320 1 1 . 1 1 63 63 GLU N N 63 129.388 129.388 124.294 5.094 18230 321 1 1 . 1 1 63 63 GLU HA H 63 4.022 4.022 3.988 0.034 18230 322 1 1 . 1 1 63 63 GLU C C 63 177.519 177.519 177.879 -0.360 18230 323 1 1 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.761 -0.089 18230 324 1 1 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.898 0.609 18230 325 1 1 . 1 1 63 63 GLU H H 63 8.356 8.356 8.616 -0.260 18230 326 1 1 . 1 1 64 64 ASN N N 64 112.751 112.751 116.603 -3.852 18230 327 1 1 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.512 0.221 18230 328 1 1 . 1 1 64 64 ASN C C 64 176.498 176.498 176.309 0.189 18230 329 1 1 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.319 -2.430 18230 330 1 1 . 1 1 64 64 ASN CB C 64 37.172 37.172 39.188 -2.016 18230 331 1 1 . 1 1 64 64 ASN H H 64 7.997 7.997 7.809 0.188 18230 332 1 1 . 1 1 65 65 GLY N N 65 109.265 109.265 107.882 1.383 18230 333 1 1 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.421 1.982 18230 334 1 1 . 1 1 65 65 GLY H H 65 7.552 7.552 8.488 -0.936 18230 335 1 1 . 1 1 66 66 ASP N N 66 119.331 119.331 121.001 -1.670 18230 336 1 1 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.603 -0.071 18230 337 1 1 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.928 0.262 18230 338 1 1 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.794 -0.551 18230 339 1 1 . 1 1 66 66 ASP H H 66 8.124 8.124 8.197 -0.073 18230 340 1 1 . 1 1 67 67 GLY N N 67 113.348 113.348 108.768 4.580 18230 341 1 1 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.648 -0.044 18230 342 1 1 . 1 1 67 67 GLY H H 67 10.285 10.285 9.194 1.091 18230 343 1 1 . 1 1 68 68 GLU N N 68 117.060 117.060 118.405 -1.345 18230 344 1 1 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.807 -0.006 18230 345 1 1 . 1 1 68 68 GLU C C 68 175.176 175.176 174.886 0.290 18230 346 1 1 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.724 -0.214 18230 347 1 1 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.969 3.254 18230 348 1 1 . 1 1 68 68 GLU H H 68 7.732 7.732 8.888 -1.156 18230 349 1 1 . 1 1 69 69 VAL N N 69 125.264 125.264 121.076 4.188 18230 350 1 1 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.718 0.522 18230 351 1 1 . 1 1 69 69 VAL C C 69 175.961 175.961 175.291 0.670 18230 352 1 1 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.639 0.505 18230 353 1 1 . 1 1 69 69 VAL CB C 69 33.685 33.685 32.952 0.733 18230 354 1 1 . 1 1 69 69 VAL H H 69 9.392 9.392 8.851 0.541 18230 355 1 1 . 1 1 70 70 ASP N N 70 129.378 129.378 126.121 3.257 18230 356 1 1 . 1 1 70 70 ASP HA H 70 5.161 5.161 5.000 0.161 18230 357 1 1 . 1 1 70 70 ASP C C 70 175.032 175.032 176.904 -1.872 18230 358 1 1 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.162 0.253 18230 359 1 1 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.586 -1.747 18230 360 1 1 . 1 1 70 70 ASP H H 70 9.112 9.112 9.068 0.044 18230 361 1 1 . 1 1 71 71 PHE N N 71 118.452 118.452 123.270 -4.818 18230 362 1 1 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.065 -0.152 18230 363 1 1 . 1 1 71 71 PHE C C 71 176.576 176.576 176.757 -0.181 18230 364 1 1 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.768 2.666 18230 365 1 1 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.729 0.502 18230 366 1 1 . 1 1 71 71 PHE H H 71 8.948 8.948 8.895 0.053 18230 367 1 1 . 1 1 72 72 GLN N N 72 116.934 116.934 117.777 -0.843 18230 368 1 1 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.832 -0.144 18230 369 1 1 . 1 1 72 72 GLN C C 72 178.056 178.056 178.251 -0.195 18230 370 1 1 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.772 -0.179 18230 371 1 1 . 1 1 72 72 GLN CB C 72 28.164 28.164 27.866 0.298 18230 372 1 1 . 1 1 72 72 GLN H H 72 8.012 8.012 8.687 -0.675 18230 373 1 1 . 1 1 73 73 GLU N N 73 120.208 120.208 120.723 -0.515 18230 374 1 1 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.051 0.015 18230 375 1 1 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.685 -1.179 18230 376 1 1 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.394 0.723 18230 377 1 1 . 1 1 73 73 GLU H H 73 8.308 8.308 7.722 0.586 18230 378 1 1 . 1 1 74 74 TYR N N 74 121.623 121.623 121.731 -0.108 18230 379 1 1 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.190 -0.101 18230 380 1 1 . 1 1 74 74 TYR C C 74 176.485 176.485 177.649 -1.164 18230 381 1 1 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.669 -2.194 18230 382 1 1 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.785 -0.779 18230 383 1 1 . 1 1 74 74 TYR H H 74 8.339 8.339 8.640 -0.301 18230 384 1 1 . 1 1 75 75 VAL N N 75 120.827 120.827 119.549 1.278 18230 385 1 1 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.695 -0.821 18230 386 1 1 . 1 1 75 75 VAL C C 75 176.563 176.563 177.993 -1.430 18230 387 1 1 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.997 -0.643 18230 388 1 1 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.583 -0.932 18230 389 1 1 . 1 1 75 75 VAL H H 75 8.088 8.088 8.404 -0.316 18230 390 1 1 . 1 1 76 76 VAL N N 76 120.216 120.216 118.178 2.038 18230 391 1 1 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.703 -0.288 18230 392 1 1 . 1 1 76 76 VAL C C 76 178.645 178.645 177.578 1.067 18230 393 1 1 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.381 0.477 18230 394 1 1 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.061 0.239 18230 395 1 1 . 1 1 76 76 VAL H H 76 7.132 7.132 7.941 -0.809 18230 396 1 1 . 1 1 77 77 LEU N N 77 120.900 120.900 121.644 -0.744 18230 397 1 1 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.935 0.093 18230 398 1 1 . 1 1 77 77 LEU C C 77 177.362 177.362 178.306 -0.944 18230 399 1 1 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.243 -0.569 18230 400 1 1 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.419 -0.864 18230 401 1 1 . 1 1 77 77 LEU H H 77 6.860 6.860 7.893 -1.033 18230 402 1 1 . 1 1 78 78 VAL N N 78 116.991 116.991 116.640 0.351 18230 403 1 1 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.526 -0.403 18230 404 1 1 . 1 1 78 78 VAL C C 78 179.142 179.142 177.721 1.421 18230 405 1 1 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.135 1.693 18230 406 1 1 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.260 1.041 18230 407 1 1 . 1 1 78 78 VAL H H 78 7.519 7.519 7.919 -0.400 18230 408 1 1 . 1 1 79 79 ALA N N 79 124.679 124.679 123.297 1.382 18230 409 1 1 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.043 -0.356 18230 410 1 1 . 1 1 79 79 ALA C C 79 178.213 178.213 179.005 -0.792 18230 411 1 1 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.924 1.084 18230 412 1 1 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.202 -0.385 18230 413 1 1 . 1 1 79 79 ALA H H 79 8.964 8.964 8.132 0.832 18230 414 1 1 . 1 1 80 80 ALA N N 80 120.376 120.376 121.440 -1.064 18230 415 1 1 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.069 -0.035 18230 416 1 1 . 1 1 80 80 ALA C C 80 181.852 181.852 179.642 2.210 18230 417 1 1 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.993 0.290 18230 418 1 1 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.332 -0.532 18230 419 1 1 . 1 1 80 80 ALA H H 80 7.794 7.794 8.382 -0.588 18230 420 1 1 . 1 1 81 81 LEU N N 81 119.275 119.275 118.529 0.746 18230 421 1 1 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.027 0.013 18230 422 1 1 . 1 1 81 81 LEU C C 81 179.168 179.168 179.368 -0.200 18230 423 1 1 . 1 1 81 81 LEU CA C 81 57.345 57.345 58.072 -0.727 18230 424 1 1 . 1 1 81 81 LEU CB C 81 41.645 41.645 40.977 0.668 18230 425 1 1 . 1 1 81 81 LEU H H 81 8.494 8.494 8.313 0.181 18230 426 1 1 . 1 1 82 82 THR N N 82 119.781 119.781 116.308 3.473 18230 427 1 1 . 1 1 82 82 THR HA H 82 3.800 3.800 3.919 -0.119 18230 428 1 1 . 1 1 82 82 THR CA C 82 68.473 68.473 66.603 1.870 18230 429 1 1 . 1 1 82 82 THR CB C 82 67.796 67.796 68.164 -0.368 18230 430 1 1 . 1 1 82 82 THR H H 82 8.418 8.418 7.930 0.488 18230 431 1 1 . 1 1 83 83 VAL N N 83 122.419 122.419 121.602 0.817 18230 432 1 1 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.716 -0.014 18230 433 1 1 . 1 1 83 83 VAL C C 83 177.781 177.781 176.948 0.833 18230 434 1 1 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.929 1.382 18230 435 1 1 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.405 0.270 18230 436 1 1 . 1 1 83 83 VAL H H 83 8.164 8.164 8.261 -0.097 18230 437 1 1 . 1 1 84 84 ALA N N 84 121.470 121.470 121.775 -0.305 18230 438 1 1 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.102 0.046 18230 439 1 1 . 1 1 84 84 ALA C C 84 180.032 180.032 179.408 0.624 18230 440 1 1 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.175 -0.070 18230 441 1 1 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.826 -0.028 18230 442 1 1 . 1 1 84 84 ALA H H 84 7.877 7.877 8.372 -0.495 18230 443 1 1 . 1 1 85 85 CYS N N 85 117.473 117.473 119.613 -2.140 18230 444 1 1 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.246 0.178 18230 445 1 1 . 1 1 85 85 CYS C C 85 176.092 176.092 176.661 -0.569 18230 446 1 1 . 1 1 85 85 CYS CA C 85 57.980 57.980 62.881 -4.901 18230 447 1 1 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.038 14.517 18230 448 1 1 . 1 1 85 85 CYS H H 85 8.370 8.370 8.279 0.091 18230 449 1 1 . 1 1 86 86 ASN N N 86 119.886 119.886 118.926 0.960 18230 450 1 1 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.486 -0.250 18230 451 1 1 . 1 1 86 86 ASN CA C 86 57.260 57.260 57.053 0.207 18230 452 1 1 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.461 1.217 18230 453 1 1 . 1 1 87 87 ASN N N 87 117.136 117.136 118.570 -1.434 18230 454 1 1 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.568 -0.168 18230 455 1 1 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.128 -1.096 18230 456 1 1 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.084 -0.255 18230 457 1 1 . 1 1 87 87 ASN H H 87 8.136 8.136 8.426 -0.290 18230 458 1 1 . 1 1 88 88 PHE N N 88 119.001 119.001 121.695 -2.694 18230 459 1 1 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.345 -0.055 18230 460 1 1 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.324 -1.627 18230 461 1 1 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.225 -0.019 18230 462 1 1 . 1 1 88 88 PHE H H 88 7.865 7.865 8.159 -0.294 18230 463 1 1 . 1 1 89 89 PHE N N 89 118.050 118.050 118.673 -0.623 18230 464 1 1 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.145 0.065 18230 465 1 1 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.165 -1.665 18230 466 1 1 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.462 0.025 18230 467 1 1 . 1 1 89 89 PHE H H 89 7.924 7.924 8.304 -0.380 18230 468 1 1 . 1 1 90 90 TRP N N 90 119.104 119.104 120.228 -1.124 18230 469 1 1 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.429 0.047 18230 470 1 1 . 1 1 90 90 TRP CA C 90 57.688 57.688 58.797 -1.109 18230 471 1 1 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.507 -1.013 18230 472 1 1 . 1 1 90 90 TRP H H 90 7.848 7.848 8.262 -0.414 18230 473 1 1 . 1 1 91 91 GLU N N 91 120.457 120.457 117.240 3.217 18230 474 1 1 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.574 -0.445 18230 475 1 1 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.160 1.879 18230 476 1 1 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.000 -0.967 18230 477 1 1 . 1 1 91 91 GLU H H 91 7.816 7.816 8.001 -0.185 18230 478 1 1 . 1 1 92 92 ASN N N 92 125.418 125.418 119.938 5.480 18230 479 1 1 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.105 0.305 18230 480 1 1 . 1 1 92 92 ASN CA C 92 54.731 54.731 55.312 -0.581 18230 481 1 1 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.835 2.239 18230 482 1 1 . 1 1 92 92 ASN H H 92 7.846 7.846 8.725 -0.879 18230 483 1 2 . 1 1 2 2 SER HA H 2 4.757 4.757 4.421 0.336 18230 484 1 2 . 1 1 2 2 SER CA C 2 57.482 57.482 58.159 -0.677 18230 485 1 2 . 1 1 2 2 SER CB C 2 64.893 64.893 63.992 0.901 18230 486 1 2 . 1 1 3 3 GLU N N 3 123.948 123.948 122.856 1.092 18230 487 1 2 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.043 0.082 18230 488 1 2 . 1 1 3 3 GLU C C 3 179.443 179.443 178.217 1.226 18230 489 1 2 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.272 1.028 18230 490 1 2 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.441 0.131 18230 491 1 2 . 1 1 3 3 GLU H H 3 9.442 9.442 8.609 0.833 18230 492 1 2 . 1 1 4 4 LEU N N 4 120.236 120.236 120.043 0.193 18230 493 1 2 . 1 1 4 4 LEU HA H 4 4.075 4.075 3.980 0.095 18230 494 1 2 . 1 1 4 4 LEU CA C 4 58.091 58.091 58.218 -0.127 18230 495 1 2 . 1 1 4 4 LEU CB C 4 42.502 42.502 42.027 0.475 18230 496 1 2 . 1 1 4 4 LEU H H 4 8.907 8.907 7.937 0.970 18230 497 1 2 . 1 1 5 5 GLU N N 5 119.034 119.034 118.148 0.886 18230 498 1 2 . 1 1 5 5 GLU HA H 5 3.968 3.968 3.985 -0.017 18230 499 1 2 . 1 1 5 5 GLU C C 5 179.234 179.234 178.669 0.565 18230 500 1 2 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.755 0.385 18230 501 1 2 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.301 0.115 18230 502 1 2 . 1 1 5 5 GLU H H 5 8.296 8.296 8.550 -0.254 18230 503 1 2 . 1 1 6 6 THR N N 6 116.586 116.586 116.801 -0.215 18230 504 1 2 . 1 1 6 6 THR HA H 6 4.008 4.008 4.056 -0.048 18230 505 1 2 . 1 1 6 6 THR CA C 6 66.397 66.397 66.622 -0.225 18230 506 1 2 . 1 1 6 6 THR CB C 6 68.595 68.595 68.287 0.309 18230 507 1 2 . 1 1 6 6 THR H H 6 8.282 8.282 8.181 0.101 18230 508 1 2 . 1 1 7 7 ALA N N 7 126.275 126.275 124.767 1.508 18230 509 1 2 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.128 0.055 18230 510 1 2 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.015 0.598 18230 511 1 2 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.167 -0.227 18230 512 1 2 . 1 1 7 7 ALA H H 7 8.141 8.141 8.119 0.022 18230 513 1 2 . 1 1 8 8 MET N N 8 117.071 117.071 118.109 -1.038 18230 514 1 2 . 1 1 8 8 MET HA H 8 3.834 3.834 4.002 -0.168 18230 515 1 2 . 1 1 8 8 MET C C 8 177.846 177.846 178.855 -1.009 18230 516 1 2 . 1 1 8 8 MET CA C 8 60.757 60.757 59.700 1.057 18230 517 1 2 . 1 1 8 8 MET CB C 8 34.012 34.012 32.529 1.482 18230 518 1 2 . 1 1 8 8 MET H H 8 8.269 8.269 8.246 0.023 18230 519 1 2 . 1 1 9 9 GLU N N 9 117.667 117.667 118.752 -1.085 18230 520 1 2 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.054 -0.126 18230 521 1 2 . 1 1 9 9 GLU C C 9 178.933 178.933 179.200 -0.267 18230 522 1 2 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.814 0.049 18230 523 1 2 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.475 -0.214 18230 524 1 2 . 1 1 9 9 GLU H H 9 8.105 8.105 8.729 -0.624 18230 525 1 2 . 1 1 10 10 THR N N 10 118.326 118.326 117.676 0.650 18230 526 1 2 . 1 1 10 10 THR HA H 10 4.075 4.075 4.105 -0.030 18230 527 1 2 . 1 1 10 10 THR CA C 10 67.311 67.311 66.715 0.596 18230 528 1 2 . 1 1 10 10 THR CB C 10 67.934 67.934 68.454 -0.520 18230 529 1 2 . 1 1 10 10 THR H H 10 8.407 8.407 8.197 0.210 18230 530 1 2 . 1 1 11 11 LEU N N 11 119.765 119.765 121.876 -2.111 18230 531 1 2 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.109 -0.181 18230 532 1 2 . 1 1 11 11 LEU C C 11 180.896 180.896 179.261 1.635 18230 533 1 2 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.391 0.890 18230 534 1 2 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.344 0.256 18230 535 1 2 . 1 1 11 11 LEU H H 11 8.131 8.131 8.331 -0.200 18230 536 1 2 . 1 1 12 12 ILE N N 12 119.540 119.540 120.374 -0.834 18230 537 1 2 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.834 0.121 18230 538 1 2 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.843 -0.111 18230 539 1 2 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.661 1.724 18230 540 1 2 . 1 1 12 12 ILE H H 12 7.715 7.715 8.486 -0.771 18230 541 1 2 . 1 1 13 13 ASN N N 13 121.587 121.587 118.596 2.991 18230 542 1 2 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.537 -0.006 18230 543 1 2 . 1 1 13 13 ASN C C 13 178.867 178.867 178.288 0.579 18230 544 1 2 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.208 0.221 18230 545 1 2 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.257 -0.195 18230 546 1 2 . 1 1 13 13 ASN H H 13 9.040 9.040 8.463 0.577 18230 547 1 2 . 1 1 14 14 VAL N N 14 120.603 120.603 117.501 3.102 18230 548 1 2 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.831 -0.024 18230 549 1 2 . 1 1 14 14 VAL C C 14 177.113 177.113 177.317 -0.204 18230 550 1 2 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.251 0.257 18230 551 1 2 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.595 0.002 18230 552 1 2 . 1 1 14 14 VAL H H 14 8.954 8.954 8.257 0.697 18230 553 1 2 . 1 1 15 15 PHE N N 15 117.585 117.585 121.544 -3.959 18230 554 1 2 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.551 -0.092 18230 555 1 2 . 1 1 15 15 PHE C C 15 177.257 177.257 176.459 0.798 18230 556 1 2 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.875 0.701 18230 557 1 2 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.664 0.388 18230 558 1 2 . 1 1 15 15 PHE H H 15 6.956 6.956 8.323 -1.367 18230 559 1 2 . 1 1 16 16 HIS N N 16 115.204 115.204 119.867 -4.663 18230 560 1 2 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.867 0.972 18230 561 1 2 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.662 -1.184 18230 562 1 2 . 1 1 16 16 HIS CB C 16 28.920 28.920 30.019 -1.099 18230 563 1 2 . 1 1 16 16 HIS H H 16 7.736 7.736 8.574 -0.838 18230 564 1 2 . 1 1 17 17 ALA N N 17 123.201 123.201 122.121 1.080 18230 565 1 2 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.856 0.180 18230 566 1 2 . 1 1 17 17 ALA C C 17 178.867 178.867 179.656 -0.789 18230 567 1 2 . 1 1 17 17 ALA CA C 17 54.145 54.145 55.044 -0.899 18230 568 1 2 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.120 -0.459 18230 569 1 2 . 1 1 17 17 ALA H H 17 8.066 8.066 8.036 0.030 18230 570 1 2 . 1 1 18 18 HIS N N 18 113.974 113.974 117.116 -3.142 18230 571 1 2 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.156 0.216 18230 572 1 2 . 1 1 18 18 HIS C C 18 175.568 175.568 177.753 -2.185 18230 573 1 2 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.754 -2.341 18230 574 1 2 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.633 3.120 18230 575 1 2 . 1 1 18 18 HIS H H 18 7.047 7.047 8.289 -1.242 18230 576 1 2 . 1 1 19 19 SER N N 19 113.745 113.745 114.771 -1.026 18230 577 1 2 . 1 1 19 19 SER HA H 19 3.658 3.658 4.061 -0.403 18230 578 1 2 . 1 1 19 19 SER CA C 19 61.247 61.247 60.538 0.709 18230 579 1 2 . 1 1 19 19 SER CB C 19 61.323 61.323 62.279 -0.955 18230 580 1 2 . 1 1 19 19 SER H H 19 8.470 8.470 8.000 0.470 18230 581 1 2 . 1 1 20 20 GLY N N 20 111.711 111.711 108.620 3.091 18230 582 1 2 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.586 -0.204 18230 583 1 2 . 1 1 20 20 GLY H H 20 7.739 7.739 7.454 0.285 18230 584 1 2 . 1 1 21 21 LYS N N 21 122.328 122.328 120.421 1.907 18230 585 1 2 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.915 -0.001 18230 586 1 2 . 1 1 21 21 LYS C C 21 177.192 177.192 177.077 0.115 18230 587 1 2 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.146 1.191 18230 588 1 2 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.660 0.028 18230 589 1 2 . 1 1 21 21 LYS H H 21 7.200 7.200 7.446 -0.246 18230 590 1 2 . 1 1 22 22 GLU N N 22 115.975 115.975 117.341 -1.366 18230 591 1 2 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.419 0.238 18230 592 1 2 . 1 1 22 22 GLU C C 22 175.882 175.882 175.950 -0.068 18230 593 1 2 . 1 1 22 22 GLU CA C 22 54.104 54.104 54.829 -0.725 18230 594 1 2 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.642 0.361 18230 595 1 2 . 1 1 22 22 GLU H H 22 9.369 9.369 7.710 1.659 18230 596 1 2 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.131 0.705 18230 597 1 2 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.838 0.438 18230 598 1 2 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.931 -0.951 18230 599 1 2 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.392 -1.184 18230 600 1 2 . 1 1 26 26 TYR N N 26 119.825 119.825 114.577 5.248 18230 601 1 2 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.882 -0.177 18230 602 1 2 . 1 1 26 26 TYR C C 26 173.696 173.696 175.118 -1.422 18230 603 1 2 . 1 1 26 26 TYR CA C 26 56.180 56.180 56.866 -0.686 18230 604 1 2 . 1 1 26 26 TYR CB C 26 38.049 38.049 37.935 0.114 18230 605 1 2 . 1 1 26 26 TYR H H 26 9.414 9.414 7.805 1.609 18230 606 1 2 . 1 1 27 27 LYS N N 27 114.922 114.922 120.004 -5.082 18230 607 1 2 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.930 0.190 18230 608 1 2 . 1 1 27 27 LYS C C 27 174.678 174.678 173.977 0.701 18230 609 1 2 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.878 0.112 18230 610 1 2 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.930 1.911 18230 611 1 2 . 1 1 27 27 LYS H H 27 7.107 7.107 7.869 -0.762 18230 612 1 2 . 1 1 28 28 LEU N N 28 125.976 125.976 125.268 0.708 18230 613 1 2 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.985 0.199 18230 614 1 2 . 1 1 28 28 LEU CA C 28 52.775 52.775 53.112 -0.337 18230 615 1 2 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.960 -2.923 18230 616 1 2 . 1 1 28 28 LEU H H 28 9.757 9.757 9.209 0.548 18230 617 1 2 . 1 1 29 29 SER N N 29 121.025 121.025 119.340 1.685 18230 618 1 2 . 1 1 29 29 SER HA H 29 4.558 4.558 4.731 -0.173 18230 619 1 2 . 1 1 29 29 SER C C 29 174.338 174.338 175.189 -0.851 18230 620 1 2 . 1 1 29 29 SER CA C 29 56.208 56.208 56.020 0.188 18230 621 1 2 . 1 1 29 29 SER CB C 29 65.480 65.480 64.754 0.726 18230 622 1 2 . 1 1 29 29 SER H H 29 9.908 9.908 8.172 1.736 18230 623 1 2 . 1 1 30 30 LYS N N 30 120.385 120.385 126.888 -6.503 18230 624 1 2 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.919 -0.072 18230 625 1 2 . 1 1 30 30 LYS C C 30 177.859 177.859 178.365 -0.506 18230 626 1 2 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.678 0.624 18230 627 1 2 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.500 -0.489 18230 628 1 2 . 1 1 30 30 LYS H H 30 8.845 8.845 9.123 -0.278 18230 629 1 2 . 1 1 31 31 LYS N N 31 118.358 118.358 117.938 0.420 18230 630 1 2 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.056 -0.155 18230 631 1 2 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.615 -0.002 18230 632 1 2 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.537 1.462 18230 633 1 2 . 1 1 31 31 LYS H H 31 7.924 7.924 7.943 -0.019 18230 634 1 2 . 1 1 32 32 GLU N N 32 119.355 119.355 119.469 -0.114 18230 635 1 2 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.117 -0.216 18230 636 1 2 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.296 -0.458 18230 637 1 2 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.499 1.164 18230 638 1 2 . 1 1 32 32 GLU H H 32 7.502 7.502 8.087 -0.585 18230 639 1 2 . 1 1 33 33 LEU N N 33 119.533 119.533 117.492 2.041 18230 640 1 2 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.014 -0.106 18230 641 1 2 . 1 1 33 33 LEU C C 33 177.571 177.571 178.620 -1.049 18230 642 1 2 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.497 -0.722 18230 643 1 2 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.008 0.480 18230 644 1 2 . 1 1 33 33 LEU H H 33 9.076 9.076 8.772 0.304 18230 645 1 2 . 1 1 34 34 LYS N N 34 119.251 119.251 119.200 0.051 18230 646 1 2 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.919 -0.273 18230 647 1 2 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.377 1.206 18230 648 1 2 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.879 0.186 18230 649 1 2 . 1 1 34 34 LYS H H 34 8.262 8.262 8.391 -0.129 18230 650 1 2 . 1 1 35 35 GLU N N 35 117.642 117.642 119.536 -1.894 18230 651 1 2 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.125 -0.130 18230 652 1 2 . 1 1 35 35 GLU C C 35 178.776 178.776 178.913 -0.137 18230 653 1 2 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.096 0.490 18230 654 1 2 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.812 -0.863 18230 655 1 2 . 1 1 35 35 GLU H H 35 7.742 7.742 7.818 -0.076 18230 656 1 2 . 1 1 36 36 LEU N N 36 124.753 124.753 122.404 2.349 18230 657 1 2 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.059 -0.363 18230 658 1 2 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.228 2.469 18230 659 1 2 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.705 0.264 18230 660 1 2 . 1 1 36 36 LEU H H 36 8.304 8.304 8.169 0.135 18230 661 1 2 . 1 1 37 37 LEU N N 37 119.058 119.058 117.989 1.069 18230 662 1 2 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.973 -0.246 18230 663 1 2 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.082 0.230 18230 664 1 2 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.785 1.015 18230 665 1 2 . 1 1 37 37 LEU H H 37 8.684 8.684 8.371 0.313 18230 666 1 2 . 1 1 38 38 GLN N N 38 114.728 114.728 116.395 -1.667 18230 667 1 2 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.265 -0.324 18230 668 1 2 . 1 1 38 38 GLN C C 38 177.584 177.584 178.195 -0.611 18230 669 1 2 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.541 -0.063 18230 670 1 2 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.921 0.106 18230 671 1 2 . 1 1 38 38 GLN H H 38 8.510 8.510 7.654 0.857 18230 672 1 2 . 1 1 39 39 THR N N 39 110.419 110.419 110.071 0.348 18230 673 1 2 . 1 1 39 39 THR HA H 39 4.238 4.238 4.203 0.035 18230 674 1 2 . 1 1 39 39 THR C C 39 176.341 176.341 175.875 0.466 18230 675 1 2 . 1 1 39 39 THR CA C 39 64.874 64.874 64.855 0.019 18230 676 1 2 . 1 1 39 39 THR CB C 39 69.919 69.919 69.519 0.400 18230 677 1 2 . 1 1 39 39 THR H H 39 7.863 7.863 8.015 -0.152 18230 678 1 2 . 1 1 40 40 GLU N N 40 117.514 117.514 120.823 -3.309 18230 679 1 2 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.449 0.304 18230 680 1 2 . 1 1 40 40 GLU C C 40 177.807 177.807 176.836 0.971 18230 681 1 2 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.386 -0.904 18230 682 1 2 . 1 1 40 40 GLU CB C 40 31.789 31.789 30.975 0.814 18230 683 1 2 . 1 1 40 40 GLU H H 40 8.468 8.468 8.181 0.287 18230 684 1 2 . 1 1 41 41 LEU N N 41 121.141 121.141 120.630 0.511 18230 685 1 2 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.745 0.268 18230 686 1 2 . 1 1 41 41 LEU CA C 41 52.830 52.830 53.893 -1.063 18230 687 1 2 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.206 0.417 18230 688 1 2 . 1 1 41 41 LEU H H 41 7.682 7.682 8.307 -0.625 18230 689 1 2 . 1 1 42 42 SER N N 42 116.557 116.557 117.841 -1.284 18230 690 1 2 . 1 1 42 42 SER HA H 42 4.055 4.055 4.498 -0.443 18230 691 1 2 . 1 1 42 42 SER C C 42 176.537 176.537 176.621 -0.084 18230 692 1 2 . 1 1 42 42 SER CA C 42 61.552 61.552 59.310 2.242 18230 693 1 2 . 1 1 42 42 SER CB C 42 62.783 62.783 64.129 -1.346 18230 694 1 2 . 1 1 42 42 SER H H 42 8.186 8.186 8.768 -0.582 18230 695 1 2 . 1 1 43 43 GLY N N 43 111.517 111.517 110.842 0.675 18230 696 1 2 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.837 -0.790 18230 697 1 2 . 1 1 43 43 GLY H H 43 8.880 8.880 8.812 0.068 18230 698 1 2 . 1 1 44 44 PHE N N 44 122.405 122.405 120.132 2.273 18230 699 1 2 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.184 0.173 18230 700 1 2 . 1 1 44 44 PHE C C 44 176.851 176.851 177.454 -0.603 18230 701 1 2 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.191 -1.356 18230 702 1 2 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.640 0.980 18230 703 1 2 . 1 1 44 44 PHE H H 44 7.972 7.972 8.042 -0.070 18230 704 1 2 . 1 1 45 45 LEU N N 45 119.444 119.444 118.571 0.873 18230 705 1 2 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.144 -0.215 18230 706 1 2 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.900 -0.637 18230 707 1 2 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.275 0.682 18230 708 1 2 . 1 1 45 45 LEU H H 45 8.148 8.148 7.736 0.412 18230 709 1 2 . 1 1 46 46 ASP N N 46 120.023 120.023 120.424 -0.401 18230 710 1 2 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.397 -0.021 18230 711 1 2 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.845 -1.163 18230 712 1 2 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.843 -0.055 18230 713 1 2 . 1 1 46 46 ASP H H 46 8.307 8.307 8.542 -0.235 18230 714 1 2 . 1 1 47 47 ALA N N 47 121.156 121.156 122.296 -1.140 18230 715 1 2 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.058 0.098 18230 716 1 2 . 1 1 47 47 ALA CA C 47 52.913 52.913 54.542 -1.629 18230 717 1 2 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.218 0.436 18230 718 1 2 . 1 1 47 47 ALA H H 47 7.606 7.606 7.935 -0.329 18230 719 1 2 . 1 1 48 48 GLN N N 48 116.408 116.408 116.085 0.323 18230 720 1 2 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.165 -0.029 18230 721 1 2 . 1 1 48 48 GLN C C 48 175.882 175.882 176.202 -0.320 18230 722 1 2 . 1 1 48 48 GLN CA C 48 55.362 55.362 56.240 -0.878 18230 723 1 2 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.992 -0.510 18230 724 1 2 . 1 1 48 48 GLN H H 48 7.665 7.665 7.634 0.031 18230 725 1 2 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.022 0.107 18230 726 1 2 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.229 -0.523 18230 727 1 2 . 1 1 49 49 LYS CB C 49 32.298 32.298 30.396 1.902 18230 728 1 2 . 1 1 50 50 ASP N N 50 118.824 118.824 117.265 1.559 18230 729 1 2 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.840 -0.292 18230 730 1 2 . 1 1 50 50 ASP CA C 50 53.965 53.965 53.124 0.841 18230 731 1 2 . 1 1 50 50 ASP CB C 50 42.035 42.035 43.339 -1.304 18230 732 1 2 . 1 1 50 50 ASP H H 50 7.982 7.982 7.858 0.124 18230 733 1 2 . 1 1 51 51 VAL N N 51 121.055 121.055 118.520 2.535 18230 734 1 2 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.899 0.052 18230 735 1 2 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.592 -0.936 18230 736 1 2 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.918 0.082 18230 737 1 2 . 1 1 51 51 VAL H H 51 8.231 8.231 8.370 -0.139 18230 738 1 2 . 1 1 52 52 ASP N N 52 121.189 121.189 120.619 0.570 18230 739 1 2 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.669 0.090 18230 740 1 2 . 1 1 52 52 ASP C C 52 176.367 176.367 177.311 -0.944 18230 741 1 2 . 1 1 52 52 ASP CA C 52 53.716 53.716 55.272 -1.556 18230 742 1 2 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.582 0.817 18230 743 1 2 . 1 1 52 52 ASP H H 52 8.410 8.410 8.714 -0.304 18230 744 1 2 . 1 1 53 53 ALA N N 53 123.582 123.582 123.500 0.082 18230 745 1 2 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.064 -0.132 18230 746 1 2 . 1 1 53 53 ALA C C 53 179.208 179.208 178.710 0.498 18230 747 1 2 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.195 0.072 18230 748 1 2 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.606 0.551 18230 749 1 2 . 1 1 53 53 ALA H H 53 7.755 7.755 7.275 0.480 18230 750 1 2 . 1 1 54 54 VAL N N 54 116.235 116.235 118.518 -2.283 18230 751 1 2 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.643 -0.188 18230 752 1 2 . 1 1 54 54 VAL C C 54 176.432 176.432 176.468 -0.036 18230 753 1 2 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.120 0.125 18230 754 1 2 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.595 -0.831 18230 755 1 2 . 1 1 54 54 VAL H H 54 8.300 8.300 7.698 0.602 18230 756 1 2 . 1 1 55 55 ASP N N 55 120.594 120.594 119.187 1.407 18230 757 1 2 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.337 -0.182 18230 758 1 2 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.306 0.278 18230 759 1 2 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.493 0.337 18230 760 1 2 . 1 1 55 55 ASP H H 55 7.684 7.684 8.531 -0.847 18230 761 1 2 . 1 1 56 56 LYS N N 56 119.178 119.178 119.455 -0.277 18230 762 1 2 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.050 -0.122 18230 763 1 2 . 1 1 56 56 LYS C C 56 178.697 178.697 179.358 -0.661 18230 764 1 2 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.414 0.088 18230 765 1 2 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.611 -0.321 18230 766 1 2 . 1 1 56 56 LYS H H 56 7.638 7.638 8.068 -0.430 18230 767 1 2 . 1 1 57 57 VAL N N 57 119.870 119.870 119.338 0.532 18230 768 1 2 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.756 -0.032 18230 769 1 2 . 1 1 57 57 VAL C C 57 177.558 177.558 178.331 -0.773 18230 770 1 2 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.517 -0.591 18230 771 1 2 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.684 -0.537 18230 772 1 2 . 1 1 57 57 VAL H H 57 7.928 7.928 8.262 -0.334 18230 773 1 2 . 1 1 58 58 MET N N 58 118.736 118.736 118.521 0.215 18230 774 1 2 . 1 1 58 58 MET HA H 58 3.928 3.928 4.160 -0.232 18230 775 1 2 . 1 1 58 58 MET C C 58 177.021 177.021 177.793 -0.772 18230 776 1 2 . 1 1 58 58 MET CA C 58 58.534 58.534 58.881 -0.347 18230 777 1 2 . 1 1 58 58 MET CB C 58 32.065 32.065 32.002 0.063 18230 778 1 2 . 1 1 58 58 MET H H 58 8.443 8.443 8.442 0.001 18230 779 1 2 . 1 1 59 59 LYS N N 59 116.214 116.214 118.800 -2.586 18230 780 1 2 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.953 0.015 18230 781 1 2 . 1 1 59 59 LYS C C 59 178.893 178.893 178.083 0.810 18230 782 1 2 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.411 -0.545 18230 783 1 2 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.932 0.133 18230 784 1 2 . 1 1 59 59 LYS H H 59 7.629 7.629 7.859 -0.230 18230 785 1 2 . 1 1 60 60 GLU N N 60 117.288 117.288 117.974 -0.686 18230 786 1 2 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.128 -0.093 18230 787 1 2 . 1 1 60 60 GLU C C 60 178.173 178.173 178.260 -0.087 18230 788 1 2 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.400 -0.171 18230 789 1 2 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.632 0.174 18230 790 1 2 . 1 1 60 60 GLU H H 60 7.599 7.599 7.850 -0.251 18230 791 1 2 . 1 1 61 61 LEU N N 61 116.163 116.163 116.682 -0.519 18230 792 1 2 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.144 0.226 18230 793 1 2 . 1 1 61 61 LEU C C 61 178.893 178.893 178.038 0.855 18230 794 1 2 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.525 -1.286 18230 795 1 2 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.304 1.637 18230 796 1 2 . 1 1 61 61 LEU H H 61 8.060 8.060 7.261 0.799 18230 797 1 2 . 1 1 62 62 ASP N N 62 116.934 116.934 118.628 -1.694 18230 798 1 2 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.924 -0.258 18230 799 1 2 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.759 -0.514 18230 800 1 2 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.711 -0.702 18230 801 1 2 . 1 1 62 62 ASP H H 62 8.012 8.012 8.034 -0.022 18230 802 1 2 . 1 1 63 63 GLU N N 63 129.388 129.388 125.049 4.339 18230 803 1 2 . 1 1 63 63 GLU HA H 63 4.022 4.022 3.997 0.025 18230 804 1 2 . 1 1 63 63 GLU C C 63 177.519 177.519 177.826 -0.307 18230 805 1 2 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.663 0.009 18230 806 1 2 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.901 0.606 18230 807 1 2 . 1 1 63 63 GLU H H 63 8.356 8.356 8.480 -0.124 18230 808 1 2 . 1 1 64 64 ASN N N 64 112.751 112.751 117.115 -4.364 18230 809 1 2 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.529 0.204 18230 810 1 2 . 1 1 64 64 ASN C C 64 176.498 176.498 176.254 0.244 18230 811 1 2 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.622 -2.733 18230 812 1 2 . 1 1 64 64 ASN CB C 64 37.172 37.172 39.126 -1.954 18230 813 1 2 . 1 1 64 64 ASN H H 64 7.997 7.997 7.812 0.185 18230 814 1 2 . 1 1 65 65 GLY N N 65 109.265 109.265 106.974 2.291 18230 815 1 2 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.309 2.094 18230 816 1 2 . 1 1 65 65 GLY H H 65 7.552 7.552 8.085 -0.533 18230 817 1 2 . 1 1 66 66 ASP N N 66 119.331 119.331 121.487 -2.156 18230 818 1 2 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.599 -0.067 18230 819 1 2 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.845 0.345 18230 820 1 2 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.514 -0.271 18230 821 1 2 . 1 1 66 66 ASP H H 66 8.124 8.124 8.148 -0.024 18230 822 1 2 . 1 1 67 67 GLY N N 67 113.348 113.348 108.891 4.457 18230 823 1 2 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.750 -0.146 18230 824 1 2 . 1 1 67 67 GLY H H 67 10.285 10.285 9.272 1.013 18230 825 1 2 . 1 1 68 68 GLU N N 68 117.060 117.060 120.328 -3.268 18230 826 1 2 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.562 0.239 18230 827 1 2 . 1 1 68 68 GLU C C 68 175.176 175.176 175.244 -0.068 18230 828 1 2 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.848 -0.338 18230 829 1 2 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.606 3.617 18230 830 1 2 . 1 1 68 68 GLU H H 68 7.732 7.732 8.828 -1.096 18230 831 1 2 . 1 1 69 69 VAL N N 69 125.264 125.264 124.325 0.939 18230 832 1 2 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.633 0.607 18230 833 1 2 . 1 1 69 69 VAL C C 69 175.961 175.961 175.243 0.718 18230 834 1 2 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.831 0.313 18230 835 1 2 . 1 1 69 69 VAL CB C 69 33.685 33.685 32.945 0.740 18230 836 1 2 . 1 1 69 69 VAL H H 69 9.392 9.392 8.773 0.619 18230 837 1 2 . 1 1 70 70 ASP N N 70 129.378 129.378 125.797 3.581 18230 838 1 2 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.965 0.196 18230 839 1 2 . 1 1 70 70 ASP C C 70 175.032 175.032 176.923 -1.891 18230 840 1 2 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.251 0.164 18230 841 1 2 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.617 -1.778 18230 842 1 2 . 1 1 70 70 ASP H H 70 9.112 9.112 9.027 0.085 18230 843 1 2 . 1 1 71 71 PHE N N 71 118.452 118.452 123.496 -5.044 18230 844 1 2 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.109 -0.196 18230 845 1 2 . 1 1 71 71 PHE C C 71 176.576 176.576 176.784 -0.208 18230 846 1 2 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.771 2.663 18230 847 1 2 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.814 0.417 18230 848 1 2 . 1 1 71 71 PHE H H 71 8.948 8.948 8.705 0.243 18230 849 1 2 . 1 1 72 72 GLN N N 72 116.934 116.934 117.714 -0.780 18230 850 1 2 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.831 -0.143 18230 851 1 2 . 1 1 72 72 GLN C C 72 178.056 178.056 178.277 -0.221 18230 852 1 2 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.742 -0.149 18230 853 1 2 . 1 1 72 72 GLN CB C 72 28.164 28.164 27.880 0.284 18230 854 1 2 . 1 1 72 72 GLN H H 72 8.012 8.012 8.726 -0.714 18230 855 1 2 . 1 1 73 73 GLU N N 73 120.208 120.208 120.465 -0.257 18230 856 1 2 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.049 0.017 18230 857 1 2 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.566 -1.060 18230 858 1 2 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.438 0.679 18230 859 1 2 . 1 1 73 73 GLU H H 73 8.308 8.308 7.648 0.660 18230 860 1 2 . 1 1 74 74 TYR N N 74 121.623 121.623 121.726 -0.103 18230 861 1 2 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.179 -0.090 18230 862 1 2 . 1 1 74 74 TYR C C 74 176.485 176.485 177.624 -1.139 18230 863 1 2 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.635 -2.160 18230 864 1 2 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.745 -0.738 18230 865 1 2 . 1 1 74 74 TYR H H 74 8.339 8.339 8.665 -0.326 18230 866 1 2 . 1 1 75 75 VAL N N 75 120.827 120.827 119.520 1.307 18230 867 1 2 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.684 -0.810 18230 868 1 2 . 1 1 75 75 VAL C C 75 176.563 176.563 177.987 -1.424 18230 869 1 2 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.978 -0.624 18230 870 1 2 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.567 -0.916 18230 871 1 2 . 1 1 75 75 VAL H H 75 8.088 8.088 8.412 -0.324 18230 872 1 2 . 1 1 76 76 VAL N N 76 120.216 120.216 118.174 2.042 18230 873 1 2 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.700 -0.284 18230 874 1 2 . 1 1 76 76 VAL C C 76 178.645 178.645 177.575 1.070 18230 875 1 2 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.368 0.490 18230 876 1 2 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.041 0.258 18230 877 1 2 . 1 1 76 76 VAL H H 76 7.132 7.132 7.935 -0.803 18230 878 1 2 . 1 1 77 77 LEU N N 77 120.900 120.900 121.652 -0.752 18230 879 1 2 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.932 0.096 18230 880 1 2 . 1 1 77 77 LEU C C 77 177.362 177.362 178.292 -0.930 18230 881 1 2 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.236 -0.561 18230 882 1 2 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.402 -0.847 18230 883 1 2 . 1 1 77 77 LEU H H 77 6.860 6.860 7.878 -1.018 18230 884 1 2 . 1 1 78 78 VAL N N 78 116.991 116.991 116.602 0.389 18230 885 1 2 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.527 -0.404 18230 886 1 2 . 1 1 78 78 VAL C C 78 179.142 179.142 177.722 1.420 18230 887 1 2 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.119 1.709 18230 888 1 2 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.230 1.071 18230 889 1 2 . 1 1 78 78 VAL H H 78 7.519 7.519 7.893 -0.374 18230 890 1 2 . 1 1 79 79 ALA N N 79 124.679 124.679 123.314 1.365 18230 891 1 2 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.037 -0.350 18230 892 1 2 . 1 1 79 79 ALA C C 79 178.213 178.213 178.991 -0.778 18230 893 1 2 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.935 1.073 18230 894 1 2 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.187 -0.370 18230 895 1 2 . 1 1 79 79 ALA H H 79 8.964 8.964 8.137 0.827 18230 896 1 2 . 1 1 80 80 ALA N N 80 120.376 120.376 121.462 -1.086 18230 897 1 2 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.069 -0.035 18230 898 1 2 . 1 1 80 80 ALA C C 80 181.852 181.852 179.652 2.200 18230 899 1 2 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.992 0.291 18230 900 1 2 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.335 -0.535 18230 901 1 2 . 1 1 80 80 ALA H H 80 7.794 7.794 8.381 -0.587 18230 902 1 2 . 1 1 81 81 LEU N N 81 119.275 119.275 118.488 0.787 18230 903 1 2 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.008 0.032 18230 904 1 2 . 1 1 81 81 LEU C C 81 179.168 179.168 179.271 -0.103 18230 905 1 2 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.995 -0.650 18230 906 1 2 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.236 0.409 18230 907 1 2 . 1 1 81 81 LEU H H 81 8.494 8.494 8.291 0.203 18230 908 1 2 . 1 1 82 82 THR N N 82 119.781 119.781 116.472 3.309 18230 909 1 2 . 1 1 82 82 THR HA H 82 3.800 3.800 3.896 -0.096 18230 910 1 2 . 1 1 82 82 THR CA C 82 68.473 68.473 67.377 1.096 18230 911 1 2 . 1 1 82 82 THR CB C 82 67.796 67.796 68.644 -0.848 18230 912 1 2 . 1 1 82 82 THR H H 82 8.418 8.418 7.869 0.549 18230 913 1 2 . 1 1 83 83 VAL N N 83 122.419 122.419 121.598 0.821 18230 914 1 2 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.760 -0.058 18230 915 1 2 . 1 1 83 83 VAL C C 83 177.781 177.781 176.752 1.029 18230 916 1 2 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.138 2.173 18230 917 1 2 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.115 0.560 18230 918 1 2 . 1 1 83 83 VAL H H 83 8.164 8.164 8.118 0.046 18230 919 1 2 . 1 1 84 84 ALA N N 84 121.470 121.470 121.847 -0.377 18230 920 1 2 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.033 0.115 18230 921 1 2 . 1 1 84 84 ALA C C 84 180.032 180.032 179.071 0.961 18230 922 1 2 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.411 -0.306 18230 923 1 2 . 1 1 84 84 ALA CB C 84 17.798 17.798 18.012 -0.214 18230 924 1 2 . 1 1 84 84 ALA H H 84 7.877 7.877 8.455 -0.578 18230 925 1 2 . 1 1 85 85 CYS N N 85 117.473 117.473 119.312 -1.839 18230 926 1 2 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.341 0.083 18230 927 1 2 . 1 1 85 85 CYS C C 85 176.092 176.092 176.825 -0.733 18230 928 1 2 . 1 1 85 85 CYS CA C 85 57.980 57.980 62.790 -4.810 18230 929 1 2 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.245 14.310 18230 930 1 2 . 1 1 85 85 CYS H H 85 8.370 8.370 8.284 0.086 18230 931 1 2 . 1 1 86 86 ASN N N 86 119.886 119.886 118.818 1.068 18230 932 1 2 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.487 -0.251 18230 933 1 2 . 1 1 86 86 ASN CA C 86 57.260 57.260 57.042 0.218 18230 934 1 2 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.471 1.207 18230 935 1 2 . 1 1 87 87 ASN N N 87 117.136 117.136 118.560 -1.424 18230 936 1 2 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.570 -0.170 18230 937 1 2 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.122 -1.090 18230 938 1 2 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.084 -0.255 18230 939 1 2 . 1 1 87 87 ASN H H 87 8.136 8.136 8.445 -0.309 18230 940 1 2 . 1 1 88 88 PHE N N 88 119.001 119.001 121.984 -2.983 18230 941 1 2 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.332 -0.042 18230 942 1 2 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.379 -1.682 18230 943 1 2 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.254 -0.048 18230 944 1 2 . 1 1 88 88 PHE H H 88 7.865 7.865 8.189 -0.324 18230 945 1 2 . 1 1 89 89 PHE N N 89 118.050 118.050 119.487 -1.437 18230 946 1 2 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.161 0.049 18230 947 1 2 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.462 -1.962 18230 948 1 2 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.522 -0.035 18230 949 1 2 . 1 1 89 89 PHE H H 89 7.924 7.924 8.226 -0.302 18230 950 1 2 . 1 1 90 90 TRP N N 90 119.104 119.104 119.640 -0.536 18230 951 1 2 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.453 0.023 18230 952 1 2 . 1 1 90 90 TRP CA C 90 57.688 57.688 60.065 -2.377 18230 953 1 2 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.422 -0.928 18230 954 1 2 . 1 1 90 90 TRP H H 90 7.848 7.848 8.309 -0.461 18230 955 1 2 . 1 1 91 91 GLU N N 91 120.457 120.457 117.104 3.353 18230 956 1 2 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.472 -0.343 18230 957 1 2 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.787 1.252 18230 958 1 2 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.472 -1.439 18230 959 1 2 . 1 1 91 91 GLU H H 91 7.816 7.816 8.092 -0.276 18230 960 1 2 . 1 1 92 92 ASN N N 92 125.418 125.418 119.477 5.941 18230 961 1 2 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.524 -0.114 18230 962 1 2 . 1 1 92 92 ASN CA C 92 54.731 54.731 51.902 2.829 18230 963 1 2 . 1 1 92 92 ASN CB C 92 41.074 41.074 39.617 1.457 18230 964 1 2 . 1 1 92 92 ASN H H 92 7.846 7.846 8.371 -0.525 18230 965 1 3 . 1 1 2 2 SER HA H 2 4.757 4.757 4.587 0.170 18230 966 1 3 . 1 1 2 2 SER CA C 2 57.482 57.482 57.936 -0.454 18230 967 1 3 . 1 1 2 2 SER CB C 2 64.893 64.893 65.537 -0.644 18230 968 1 3 . 1 1 3 3 GLU N N 3 123.948 123.948 121.700 2.248 18230 969 1 3 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.074 0.051 18230 970 1 3 . 1 1 3 3 GLU C C 3 179.443 179.443 179.247 0.196 18230 971 1 3 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.132 1.168 18230 972 1 3 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.526 0.047 18230 973 1 3 . 1 1 3 3 GLU H H 3 9.442 9.442 8.916 0.526 18230 974 1 3 . 1 1 4 4 LEU N N 4 120.236 120.236 120.643 -0.407 18230 975 1 3 . 1 1 4 4 LEU HA H 4 4.075 4.075 3.978 0.097 18230 976 1 3 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.581 0.510 18230 977 1 3 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.753 0.749 18230 978 1 3 . 1 1 4 4 LEU H H 4 8.907 8.907 8.084 0.823 18230 979 1 3 . 1 1 5 5 GLU N N 5 119.034 119.034 118.188 0.846 18230 980 1 3 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.086 -0.118 18230 981 1 3 . 1 1 5 5 GLU C C 5 179.234 179.234 178.999 0.235 18230 982 1 3 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.375 0.765 18230 983 1 3 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.016 0.400 18230 984 1 3 . 1 1 5 5 GLU H H 5 8.296 8.296 7.813 0.483 18230 985 1 3 . 1 1 6 6 THR N N 6 116.586 116.586 117.254 -0.668 18230 986 1 3 . 1 1 6 6 THR HA H 6 4.008 4.008 4.071 -0.063 18230 987 1 3 . 1 1 6 6 THR CA C 6 66.397 66.397 66.504 -0.107 18230 988 1 3 . 1 1 6 6 THR CB C 6 68.595 68.595 68.244 0.351 18230 989 1 3 . 1 1 6 6 THR H H 6 8.282 8.282 7.879 0.403 18230 990 1 3 . 1 1 7 7 ALA N N 7 126.275 126.275 124.789 1.486 18230 991 1 3 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.140 0.043 18230 992 1 3 . 1 1 7 7 ALA CA C 7 55.613 55.613 54.975 0.638 18230 993 1 3 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.198 -0.258 18230 994 1 3 . 1 1 7 7 ALA H H 7 8.141 8.141 8.121 0.020 18230 995 1 3 . 1 1 8 8 MET N N 8 117.071 117.071 118.124 -1.053 18230 996 1 3 . 1 1 8 8 MET HA H 8 3.834 3.834 3.999 -0.165 18230 997 1 3 . 1 1 8 8 MET C C 8 177.846 177.846 178.855 -1.009 18230 998 1 3 . 1 1 8 8 MET CA C 8 60.757 60.757 59.693 1.064 18230 999 1 3 . 1 1 8 8 MET CB C 8 34.012 34.012 32.529 1.482 18230 1000 1 3 . 1 1 8 8 MET H H 8 8.269 8.269 8.250 0.019 18230 1001 1 3 . 1 1 9 9 GLU N N 9 117.667 117.667 118.988 -1.321 18230 1002 1 3 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.067 -0.139 18230 1003 1 3 . 1 1 9 9 GLU C C 9 178.933 178.933 179.202 -0.269 18230 1004 1 3 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.750 0.113 18230 1005 1 3 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.493 -0.232 18230 1006 1 3 . 1 1 9 9 GLU H H 9 8.105 8.105 8.752 -0.647 18230 1007 1 3 . 1 1 10 10 THR N N 10 118.326 118.326 118.129 0.197 18230 1008 1 3 . 1 1 10 10 THR HA H 10 4.075 4.075 4.044 0.031 18230 1009 1 3 . 1 1 10 10 THR CA C 10 67.311 67.311 66.998 0.313 18230 1010 1 3 . 1 1 10 10 THR CB C 10 67.934 67.934 68.680 -0.746 18230 1011 1 3 . 1 1 10 10 THR H H 10 8.407 8.407 8.163 0.244 18230 1012 1 3 . 1 1 11 11 LEU N N 11 119.765 119.765 121.962 -2.197 18230 1013 1 3 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.109 -0.181 18230 1014 1 3 . 1 1 11 11 LEU C C 11 180.896 180.896 179.118 1.778 18230 1015 1 3 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.386 0.895 18230 1016 1 3 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.417 0.182 18230 1017 1 3 . 1 1 11 11 LEU H H 11 8.131 8.131 8.291 -0.160 18230 1018 1 3 . 1 1 12 12 ILE N N 12 119.540 119.540 120.400 -0.860 18230 1019 1 3 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.837 0.118 18230 1020 1 3 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.828 -0.096 18230 1021 1 3 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.653 1.733 18230 1022 1 3 . 1 1 12 12 ILE H H 12 7.715 7.715 8.475 -0.760 18230 1023 1 3 . 1 1 13 13 ASN N N 13 121.587 121.587 118.854 2.733 18230 1024 1 3 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.562 -0.031 18230 1025 1 3 . 1 1 13 13 ASN C C 13 178.867 178.867 178.274 0.593 18230 1026 1 3 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.196 0.233 18230 1027 1 3 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.279 -0.217 18230 1028 1 3 . 1 1 13 13 ASN H H 13 9.040 9.040 8.537 0.503 18230 1029 1 3 . 1 1 14 14 VAL N N 14 120.603 120.603 118.077 2.526 18230 1030 1 3 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.854 -0.047 18230 1031 1 3 . 1 1 14 14 VAL C C 14 177.113 177.113 177.320 -0.207 18230 1032 1 3 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.151 0.357 18230 1033 1 3 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.386 0.211 18230 1034 1 3 . 1 1 14 14 VAL H H 14 8.954 8.954 8.259 0.695 18230 1035 1 3 . 1 1 15 15 PHE N N 15 117.585 117.585 121.203 -3.618 18230 1036 1 3 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.604 -0.145 18230 1037 1 3 . 1 1 15 15 PHE C C 15 177.257 177.257 176.594 0.663 18230 1038 1 3 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.895 0.681 18230 1039 1 3 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.645 0.407 18230 1040 1 3 . 1 1 15 15 PHE H H 15 6.956 6.956 8.340 -1.384 18230 1041 1 3 . 1 1 16 16 HIS N N 16 115.204 115.204 119.905 -4.701 18230 1042 1 3 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.820 1.019 18230 1043 1 3 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.579 -1.101 18230 1044 1 3 . 1 1 16 16 HIS CB C 16 28.920 28.920 30.210 -1.290 18230 1045 1 3 . 1 1 16 16 HIS H H 16 7.736 7.736 8.558 -0.822 18230 1046 1 3 . 1 1 17 17 ALA N N 17 123.201 123.201 120.960 2.241 18230 1047 1 3 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.864 0.172 18230 1048 1 3 . 1 1 17 17 ALA C C 17 178.867 178.867 179.987 -1.120 18230 1049 1 3 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.883 -0.738 18230 1050 1 3 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.013 -0.352 18230 1051 1 3 . 1 1 17 17 ALA H H 17 8.066 8.066 7.943 0.123 18230 1052 1 3 . 1 1 18 18 HIS N N 18 113.974 113.974 116.728 -2.754 18230 1053 1 3 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.171 0.201 18230 1054 1 3 . 1 1 18 18 HIS C C 18 175.568 175.568 177.479 -1.911 18230 1055 1 3 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.347 -1.934 18230 1056 1 3 . 1 1 18 18 HIS CB C 18 32.753 32.753 30.079 2.674 18230 1057 1 3 . 1 1 18 18 HIS H H 18 7.047 7.047 8.239 -1.192 18230 1058 1 3 . 1 1 19 19 SER N N 19 113.745 113.745 115.050 -1.305 18230 1059 1 3 . 1 1 19 19 SER HA H 19 3.658 3.658 4.154 -0.496 18230 1060 1 3 . 1 1 19 19 SER CA C 19 61.247 61.247 61.077 0.170 18230 1061 1 3 . 1 1 19 19 SER CB C 19 61.323 61.323 62.004 -0.681 18230 1062 1 3 . 1 1 19 19 SER H H 19 8.470 8.470 7.998 0.472 18230 1063 1 3 . 1 1 20 20 GLY N N 20 111.711 111.711 109.105 2.606 18230 1064 1 3 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.878 -0.496 18230 1065 1 3 . 1 1 20 20 GLY H H 20 7.739 7.739 7.498 0.241 18230 1066 1 3 . 1 1 21 21 LYS N N 21 122.328 122.328 120.805 1.523 18230 1067 1 3 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.885 0.029 18230 1068 1 3 . 1 1 21 21 LYS C C 21 177.192 177.192 177.127 0.065 18230 1069 1 3 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.202 1.135 18230 1070 1 3 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.653 0.035 18230 1071 1 3 . 1 1 21 21 LYS H H 21 7.200 7.200 7.410 -0.210 18230 1072 1 3 . 1 1 22 22 GLU N N 22 115.975 115.975 117.393 -1.418 18230 1073 1 3 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.382 0.275 18230 1074 1 3 . 1 1 22 22 GLU C C 22 175.882 175.882 175.803 0.079 18230 1075 1 3 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.070 -0.966 18230 1076 1 3 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.537 0.466 18230 1077 1 3 . 1 1 22 22 GLU H H 22 9.369 9.369 7.689 1.680 18230 1078 1 3 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.335 0.501 18230 1079 1 3 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.937 0.339 18230 1080 1 3 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.284 -0.304 18230 1081 1 3 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.298 -1.090 18230 1082 1 3 . 1 1 26 26 TYR N N 26 119.825 119.825 115.137 4.688 18230 1083 1 3 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.758 -0.053 18230 1084 1 3 . 1 1 26 26 TYR C C 26 173.696 173.696 174.715 -1.019 18230 1085 1 3 . 1 1 26 26 TYR CA C 26 56.180 56.180 57.684 -1.504 18230 1086 1 3 . 1 1 26 26 TYR CB C 26 38.049 38.049 38.864 -0.815 18230 1087 1 3 . 1 1 26 26 TYR H H 26 9.414 9.414 7.764 1.650 18230 1088 1 3 . 1 1 27 27 LYS N N 27 114.922 114.922 119.991 -5.069 18230 1089 1 3 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.853 0.267 18230 1090 1 3 . 1 1 27 27 LYS C C 27 174.678 174.678 173.944 0.734 18230 1091 1 3 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.894 0.096 18230 1092 1 3 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.868 1.972 18230 1093 1 3 . 1 1 27 27 LYS H H 27 7.107 7.107 7.847 -0.740 18230 1094 1 3 . 1 1 28 28 LEU N N 28 125.976 125.976 125.124 0.852 18230 1095 1 3 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.932 0.252 18230 1096 1 3 . 1 1 28 28 LEU CA C 28 52.775 52.775 53.239 -0.464 18230 1097 1 3 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.788 -2.751 18230 1098 1 3 . 1 1 28 28 LEU H H 28 9.757 9.757 9.149 0.608 18230 1099 1 3 . 1 1 29 29 SER N N 29 121.025 121.025 119.575 1.450 18230 1100 1 3 . 1 1 29 29 SER HA H 29 4.558 4.558 4.755 -0.197 18230 1101 1 3 . 1 1 29 29 SER C C 29 174.338 174.338 175.239 -0.901 18230 1102 1 3 . 1 1 29 29 SER CA C 29 56.208 56.208 55.588 0.620 18230 1103 1 3 . 1 1 29 29 SER CB C 29 65.480 65.480 65.192 0.288 18230 1104 1 3 . 1 1 29 29 SER H H 29 9.908 9.908 8.186 1.722 18230 1105 1 3 . 1 1 30 30 LYS N N 30 120.385 120.385 126.377 -5.992 18230 1106 1 3 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.913 -0.066 18230 1107 1 3 . 1 1 30 30 LYS C C 30 177.859 177.859 178.401 -0.542 18230 1108 1 3 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.817 0.485 18230 1109 1 3 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.495 -0.484 18230 1110 1 3 . 1 1 30 30 LYS H H 30 8.845 8.845 9.093 -0.248 18230 1111 1 3 . 1 1 31 31 LYS N N 31 118.358 118.358 117.913 0.445 18230 1112 1 3 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.060 -0.159 18230 1113 1 3 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.606 0.007 18230 1114 1 3 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.544 1.455 18230 1115 1 3 . 1 1 31 31 LYS H H 31 7.924 7.924 7.949 -0.025 18230 1116 1 3 . 1 1 32 32 GLU N N 32 119.355 119.355 119.557 -0.202 18230 1117 1 3 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.123 -0.222 18230 1118 1 3 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.296 -0.458 18230 1119 1 3 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.509 1.153 18230 1120 1 3 . 1 1 32 32 GLU H H 32 7.502 7.502 8.134 -0.632 18230 1121 1 3 . 1 1 33 33 LEU N N 33 119.533 119.533 117.682 1.851 18230 1122 1 3 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.068 -0.160 18230 1123 1 3 . 1 1 33 33 LEU C C 33 177.571 177.571 178.702 -1.131 18230 1124 1 3 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.462 -0.687 18230 1125 1 3 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.101 0.388 18230 1126 1 3 . 1 1 33 33 LEU H H 33 9.076 9.076 8.662 0.414 18230 1127 1 3 . 1 1 34 34 LYS N N 34 119.251 119.251 119.410 -0.159 18230 1128 1 3 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.913 -0.267 18230 1129 1 3 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.356 1.227 18230 1130 1 3 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.972 0.093 18230 1131 1 3 . 1 1 34 34 LYS H H 34 8.262 8.262 8.436 -0.174 18230 1132 1 3 . 1 1 35 35 GLU N N 35 117.642 117.642 119.689 -2.047 18230 1133 1 3 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.132 -0.137 18230 1134 1 3 . 1 1 35 35 GLU C C 35 178.776 178.776 178.866 -0.090 18230 1135 1 3 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.081 0.505 18230 1136 1 3 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.851 -0.902 18230 1137 1 3 . 1 1 35 35 GLU H H 35 7.742 7.742 7.822 -0.080 18230 1138 1 3 . 1 1 36 36 LEU N N 36 124.753 124.753 122.400 2.353 18230 1139 1 3 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.002 -0.306 18230 1140 1 3 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.218 2.479 18230 1141 1 3 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.752 0.216 18230 1142 1 3 . 1 1 36 36 LEU H H 36 8.304 8.304 8.176 0.128 18230 1143 1 3 . 1 1 37 37 LEU N N 37 119.058 119.058 117.894 1.164 18230 1144 1 3 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.977 -0.250 18230 1145 1 3 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.054 0.258 18230 1146 1 3 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.766 1.034 18230 1147 1 3 . 1 1 37 37 LEU H H 37 8.684 8.684 8.388 0.296 18230 1148 1 3 . 1 1 38 38 GLN N N 38 114.728 114.728 117.077 -2.349 18230 1149 1 3 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.281 -0.340 18230 1150 1 3 . 1 1 38 38 GLN C C 38 177.584 177.584 178.185 -0.601 18230 1151 1 3 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.610 -0.132 18230 1152 1 3 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.792 0.235 18230 1153 1 3 . 1 1 38 38 GLN H H 38 8.510 8.510 7.685 0.825 18230 1154 1 3 . 1 1 39 39 THR N N 39 110.419 110.419 110.286 0.133 18230 1155 1 3 . 1 1 39 39 THR HA H 39 4.238 4.238 4.199 0.039 18230 1156 1 3 . 1 1 39 39 THR C C 39 176.341 176.341 175.941 0.400 18230 1157 1 3 . 1 1 39 39 THR CA C 39 64.874 64.874 64.677 0.197 18230 1158 1 3 . 1 1 39 39 THR CB C 39 69.919 69.919 69.102 0.817 18230 1159 1 3 . 1 1 39 39 THR H H 39 7.863 7.863 7.973 -0.110 18230 1160 1 3 . 1 1 40 40 GLU N N 40 117.514 117.514 120.359 -2.845 18230 1161 1 3 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.434 0.319 18230 1162 1 3 . 1 1 40 40 GLU C C 40 177.807 177.807 176.940 0.867 18230 1163 1 3 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.552 -1.070 18230 1164 1 3 . 1 1 40 40 GLU CB C 40 31.789 31.789 30.892 0.897 18230 1165 1 3 . 1 1 40 40 GLU H H 40 8.468 8.468 8.159 0.309 18230 1166 1 3 . 1 1 41 41 LEU N N 41 121.141 121.141 120.358 0.783 18230 1167 1 3 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.772 0.241 18230 1168 1 3 . 1 1 41 41 LEU CA C 41 52.830 52.830 53.818 -0.988 18230 1169 1 3 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.568 0.055 18230 1170 1 3 . 1 1 41 41 LEU H H 41 7.682 7.682 8.335 -0.653 18230 1171 1 3 . 1 1 42 42 SER N N 42 116.557 116.557 118.262 -1.705 18230 1172 1 3 . 1 1 42 42 SER HA H 42 4.055 4.055 4.451 -0.396 18230 1173 1 3 . 1 1 42 42 SER C C 42 176.537 176.537 176.516 0.021 18230 1174 1 3 . 1 1 42 42 SER CA C 42 61.552 61.552 59.117 2.435 18230 1175 1 3 . 1 1 42 42 SER CB C 42 62.783 62.783 63.955 -1.172 18230 1176 1 3 . 1 1 42 42 SER H H 42 8.186 8.186 8.830 -0.644 18230 1177 1 3 . 1 1 43 43 GLY N N 43 111.517 111.517 110.901 0.616 18230 1178 1 3 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.942 -0.895 18230 1179 1 3 . 1 1 43 43 GLY H H 43 8.880 8.880 8.808 0.072 18230 1180 1 3 . 1 1 44 44 PHE N N 44 122.405 122.405 119.935 2.470 18230 1181 1 3 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.160 0.197 18230 1182 1 3 . 1 1 44 44 PHE C C 44 176.851 176.851 177.513 -0.662 18230 1183 1 3 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.262 -1.427 18230 1184 1 3 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.654 0.966 18230 1185 1 3 . 1 1 44 44 PHE H H 44 7.972 7.972 8.041 -0.069 18230 1186 1 3 . 1 1 45 45 LEU N N 45 119.444 119.444 118.731 0.713 18230 1187 1 3 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.125 -0.196 18230 1188 1 3 . 1 1 45 45 LEU CA C 45 56.263 56.263 57.124 -0.861 18230 1189 1 3 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.192 0.765 18230 1190 1 3 . 1 1 45 45 LEU H H 45 8.148 8.148 7.729 0.419 18230 1191 1 3 . 1 1 46 46 ASP N N 46 120.023 120.023 120.394 -0.371 18230 1192 1 3 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.407 -0.031 18230 1193 1 3 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.848 -1.166 18230 1194 1 3 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.862 -0.074 18230 1195 1 3 . 1 1 46 46 ASP H H 46 8.307 8.307 8.498 -0.191 18230 1196 1 3 . 1 1 47 47 ALA N N 47 121.156 121.156 122.392 -1.236 18230 1197 1 3 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.071 0.085 18230 1198 1 3 . 1 1 47 47 ALA CA C 47 52.913 52.913 54.556 -1.643 18230 1199 1 3 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.206 0.448 18230 1200 1 3 . 1 1 47 47 ALA H H 47 7.606 7.606 8.090 -0.484 18230 1201 1 3 . 1 1 48 48 GLN N N 48 116.408 116.408 116.674 -0.266 18230 1202 1 3 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.133 0.003 18230 1203 1 3 . 1 1 48 48 GLN C C 48 175.882 175.882 177.466 -1.584 18230 1204 1 3 . 1 1 48 48 GLN CA C 48 55.362 55.362 56.584 -1.222 18230 1205 1 3 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.880 -0.398 18230 1206 1 3 . 1 1 48 48 GLN H H 48 7.665 7.665 7.851 -0.186 18230 1207 1 3 . 1 1 49 49 LYS HA H 49 4.129 4.129 3.975 0.154 18230 1208 1 3 . 1 1 49 49 LYS CA C 49 56.706 56.706 58.337 -1.631 18230 1209 1 3 . 1 1 49 49 LYS CB C 49 32.298 32.298 31.298 1.000 18230 1210 1 3 . 1 1 50 50 ASP N N 50 118.824 118.824 120.290 -1.466 18230 1211 1 3 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.665 -0.117 18230 1212 1 3 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.319 -0.354 18230 1213 1 3 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.317 0.718 18230 1214 1 3 . 1 1 50 50 ASP H H 50 7.982 7.982 7.920 0.062 18230 1215 1 3 . 1 1 51 51 VAL N N 51 121.055 121.055 120.078 0.977 18230 1216 1 3 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.929 0.022 18230 1217 1 3 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.867 -1.211 18230 1218 1 3 . 1 1 51 51 VAL CB C 51 32.000 32.000 32.141 -0.141 18230 1219 1 3 . 1 1 51 51 VAL H H 51 8.231 8.231 8.268 -0.037 18230 1220 1 3 . 1 1 52 52 ASP N N 52 121.189 121.189 119.529 1.660 18230 1221 1 3 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.642 0.117 18230 1222 1 3 . 1 1 52 52 ASP C C 52 176.367 176.367 176.965 -0.598 18230 1223 1 3 . 1 1 52 52 ASP CA C 52 53.716 53.716 54.635 -0.919 18230 1224 1 3 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.427 0.972 18230 1225 1 3 . 1 1 52 52 ASP H H 52 8.410 8.410 8.640 -0.230 18230 1226 1 3 . 1 1 53 53 ALA N N 53 123.582 123.582 123.720 -0.138 18230 1227 1 3 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.052 -0.120 18230 1228 1 3 . 1 1 53 53 ALA C C 53 179.208 179.208 178.633 0.575 18230 1229 1 3 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.256 0.011 18230 1230 1 3 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.603 0.554 18230 1231 1 3 . 1 1 53 53 ALA H H 53 7.755 7.755 7.431 0.324 18230 1232 1 3 . 1 1 54 54 VAL N N 54 116.235 116.235 118.079 -1.844 18230 1233 1 3 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.646 -0.191 18230 1234 1 3 . 1 1 54 54 VAL C C 54 176.432 176.432 176.415 0.017 18230 1235 1 3 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.080 0.164 18230 1236 1 3 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.645 -0.881 18230 1237 1 3 . 1 1 54 54 VAL H H 54 8.300 8.300 7.858 0.442 18230 1238 1 3 . 1 1 55 55 ASP N N 55 120.594 120.594 118.909 1.685 18230 1239 1 3 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.339 -0.184 18230 1240 1 3 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.566 0.018 18230 1241 1 3 . 1 1 55 55 ASP CB C 55 40.830 40.830 39.947 0.883 18230 1242 1 3 . 1 1 55 55 ASP H H 55 7.684 7.684 8.535 -0.851 18230 1243 1 3 . 1 1 56 56 LYS N N 56 119.178 119.178 119.644 -0.466 18230 1244 1 3 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.106 -0.178 18230 1245 1 3 . 1 1 56 56 LYS C C 56 178.697 178.697 179.198 -0.501 18230 1246 1 3 . 1 1 56 56 LYS CA C 56 59.503 59.503 58.632 0.871 18230 1247 1 3 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.220 0.070 18230 1248 1 3 . 1 1 56 56 LYS H H 56 7.638 7.638 8.023 -0.385 18230 1249 1 3 . 1 1 57 57 VAL N N 57 119.870 119.870 119.742 0.128 18230 1250 1 3 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.663 0.061 18230 1251 1 3 . 1 1 57 57 VAL C C 57 177.558 177.558 178.261 -0.703 18230 1252 1 3 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.659 -0.733 18230 1253 1 3 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.893 -0.746 18230 1254 1 3 . 1 1 57 57 VAL H H 57 7.928 7.928 8.163 -0.235 18230 1255 1 3 . 1 1 58 58 MET N N 58 118.736 118.736 117.077 1.659 18230 1256 1 3 . 1 1 58 58 MET HA H 58 3.928 3.928 4.137 -0.209 18230 1257 1 3 . 1 1 58 58 MET C C 58 177.021 177.021 177.970 -0.949 18230 1258 1 3 . 1 1 58 58 MET CA C 58 58.534 58.534 59.154 -0.620 18230 1259 1 3 . 1 1 58 58 MET CB C 58 32.065 32.065 31.948 0.117 18230 1260 1 3 . 1 1 58 58 MET H H 58 8.443 8.443 8.319 0.124 18230 1261 1 3 . 1 1 59 59 LYS N N 59 116.214 116.214 118.499 -2.285 18230 1262 1 3 . 1 1 59 59 LYS HA H 59 3.968 3.968 4.038 -0.070 18230 1263 1 3 . 1 1 59 59 LYS C C 59 178.893 178.893 178.765 0.128 18230 1264 1 3 . 1 1 59 59 LYS CA C 59 58.866 58.866 58.852 0.014 18230 1265 1 3 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.569 0.496 18230 1266 1 3 . 1 1 59 59 LYS H H 59 7.629 7.629 7.697 -0.068 18230 1267 1 3 . 1 1 60 60 GLU N N 60 117.288 117.288 118.177 -0.889 18230 1268 1 3 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.119 -0.084 18230 1269 1 3 . 1 1 60 60 GLU C C 60 178.173 178.173 178.405 -0.232 18230 1270 1 3 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.463 -0.234 18230 1271 1 3 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.812 -0.006 18230 1272 1 3 . 1 1 60 60 GLU H H 60 7.599 7.599 7.463 0.136 18230 1273 1 3 . 1 1 61 61 LEU N N 61 116.163 116.163 116.675 -0.512 18230 1274 1 3 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.159 0.211 18230 1275 1 3 . 1 1 61 61 LEU C C 61 178.893 178.893 177.661 1.232 18230 1276 1 3 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.282 -1.042 18230 1277 1 3 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.323 1.618 18230 1278 1 3 . 1 1 61 61 LEU H H 61 8.060 8.060 7.345 0.715 18230 1279 1 3 . 1 1 62 62 ASP N N 62 116.934 116.934 118.161 -1.227 18230 1280 1 3 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.920 -0.254 18230 1281 1 3 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.701 -0.456 18230 1282 1 3 . 1 1 62 62 ASP CB C 62 39.009 39.009 40.322 -1.313 18230 1283 1 3 . 1 1 62 62 ASP H H 62 8.012 8.012 8.014 -0.002 18230 1284 1 3 . 1 1 63 63 GLU N N 63 129.388 129.388 127.362 2.026 18230 1285 1 3 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.030 -0.008 18230 1286 1 3 . 1 1 63 63 GLU C C 63 177.519 177.519 177.998 -0.479 18230 1287 1 3 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.856 -0.184 18230 1288 1 3 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.997 0.510 18230 1289 1 3 . 1 1 63 63 GLU H H 63 8.356 8.356 8.837 -0.481 18230 1290 1 3 . 1 1 64 64 ASN N N 64 112.751 112.751 116.431 -3.680 18230 1291 1 3 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.529 0.204 18230 1292 1 3 . 1 1 64 64 ASN C C 64 176.498 176.498 176.073 0.425 18230 1293 1 3 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.439 -2.550 18230 1294 1 3 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.973 -1.801 18230 1295 1 3 . 1 1 64 64 ASN H H 64 7.997 7.997 7.939 0.058 18230 1296 1 3 . 1 1 65 65 GLY N N 65 109.265 109.265 106.573 2.692 18230 1297 1 3 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.341 2.062 18230 1298 1 3 . 1 1 65 65 GLY H H 65 7.552 7.552 8.535 -0.983 18230 1299 1 3 . 1 1 66 66 ASP N N 66 119.331 119.331 119.399 -0.068 18230 1300 1 3 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.602 -0.070 18230 1301 1 3 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.872 0.318 18230 1302 1 3 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.671 -0.428 18230 1303 1 3 . 1 1 66 66 ASP H H 66 8.124 8.124 7.854 0.270 18230 1304 1 3 . 1 1 67 67 GLY N N 67 113.348 113.348 109.249 4.099 18230 1305 1 3 . 1 1 67 67 GLY CA C 67 45.604 45.604 46.046 -0.442 18230 1306 1 3 . 1 1 67 67 GLY H H 67 10.285 10.285 9.125 1.160 18230 1307 1 3 . 1 1 68 68 GLU N N 68 117.060 117.060 120.505 -3.445 18230 1308 1 3 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.521 0.280 18230 1309 1 3 . 1 1 68 68 GLU C C 68 175.176 175.176 174.913 0.263 18230 1310 1 3 . 1 1 68 68 GLU CA C 68 54.510 54.510 55.249 -0.739 18230 1311 1 3 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.304 3.919 18230 1312 1 3 . 1 1 68 68 GLU H H 68 7.732 7.732 7.447 0.285 18230 1313 1 3 . 1 1 69 69 VAL N N 69 125.264 125.264 124.566 0.698 18230 1314 1 3 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.743 0.497 18230 1315 1 3 . 1 1 69 69 VAL C C 69 175.961 175.961 175.107 0.854 18230 1316 1 3 . 1 1 69 69 VAL CA C 69 61.144 61.144 61.453 -0.309 18230 1317 1 3 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.396 0.289 18230 1318 1 3 . 1 1 69 69 VAL H H 69 9.392 9.392 8.731 0.661 18230 1319 1 3 . 1 1 70 70 ASP N N 70 129.378 129.378 125.576 3.802 18230 1320 1 3 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.964 0.197 18230 1321 1 3 . 1 1 70 70 ASP C C 70 175.032 175.032 176.666 -1.634 18230 1322 1 3 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.287 0.128 18230 1323 1 3 . 1 1 70 70 ASP CB C 70 41.839 41.839 42.730 -0.891 18230 1324 1 3 . 1 1 70 70 ASP H H 70 9.112 9.112 7.988 1.124 18230 1325 1 3 . 1 1 71 71 PHE N N 71 118.452 118.452 120.847 -2.395 18230 1326 1 3 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.032 -0.119 18230 1327 1 3 . 1 1 71 71 PHE C C 71 176.576 176.576 176.836 -0.260 18230 1328 1 3 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.565 2.869 18230 1329 1 3 . 1 1 71 71 PHE CB C 71 39.231 39.231 39.081 0.150 18230 1330 1 3 . 1 1 71 71 PHE H H 71 8.948 8.948 8.727 0.221 18230 1331 1 3 . 1 1 72 72 GLN N N 72 116.934 116.934 118.395 -1.461 18230 1332 1 3 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.838 -0.150 18230 1333 1 3 . 1 1 72 72 GLN C C 72 178.056 178.056 178.341 -0.285 18230 1334 1 3 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.432 0.161 18230 1335 1 3 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.152 0.012 18230 1336 1 3 . 1 1 72 72 GLN H H 72 8.012 8.012 8.402 -0.390 18230 1337 1 3 . 1 1 73 73 GLU N N 73 120.208 120.208 120.608 -0.400 18230 1338 1 3 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.020 0.046 18230 1339 1 3 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.661 -1.155 18230 1340 1 3 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.789 0.328 18230 1341 1 3 . 1 1 73 73 GLU H H 73 8.308 8.308 9.786 -1.478 18230 1342 1 3 . 1 1 74 74 TYR N N 74 121.623 121.623 121.515 0.108 18230 1343 1 3 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.180 -0.091 18230 1344 1 3 . 1 1 74 74 TYR C C 74 176.485 176.485 177.602 -1.117 18230 1345 1 3 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.745 -2.270 18230 1346 1 3 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.678 -0.672 18230 1347 1 3 . 1 1 74 74 TYR H H 74 8.339 8.339 8.470 -0.131 18230 1348 1 3 . 1 1 75 75 VAL N N 75 120.827 120.827 120.186 0.641 18230 1349 1 3 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.716 -0.842 18230 1350 1 3 . 1 1 75 75 VAL C C 75 176.563 176.563 177.738 -1.175 18230 1351 1 3 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.992 -0.638 18230 1352 1 3 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.674 -1.023 18230 1353 1 3 . 1 1 75 75 VAL H H 75 8.088 8.088 8.438 -0.350 18230 1354 1 3 . 1 1 76 76 VAL N N 76 120.216 120.216 118.390 1.826 18230 1355 1 3 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.717 -0.302 18230 1356 1 3 . 1 1 76 76 VAL C C 76 178.645 178.645 177.731 0.914 18230 1357 1 3 . 1 1 76 76 VAL CA C 76 66.858 66.858 65.986 0.872 18230 1358 1 3 . 1 1 76 76 VAL CB C 76 31.300 31.300 30.581 0.719 18230 1359 1 3 . 1 1 76 76 VAL H H 76 7.132 7.132 8.067 -0.935 18230 1360 1 3 . 1 1 77 77 LEU N N 77 120.900 120.900 122.149 -1.249 18230 1361 1 3 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.933 0.095 18230 1362 1 3 . 1 1 77 77 LEU C C 77 177.362 177.362 178.538 -1.176 18230 1363 1 3 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.250 -0.575 18230 1364 1 3 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.361 -0.806 18230 1365 1 3 . 1 1 77 77 LEU H H 77 6.860 6.860 7.925 -1.065 18230 1366 1 3 . 1 1 78 78 VAL N N 78 116.991 116.991 116.623 0.368 18230 1367 1 3 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.530 -0.407 18230 1368 1 3 . 1 1 78 78 VAL C C 78 179.142 179.142 177.704 1.438 18230 1369 1 3 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.168 1.660 18230 1370 1 3 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.253 1.048 18230 1371 1 3 . 1 1 78 78 VAL H H 78 7.519 7.519 7.890 -0.371 18230 1372 1 3 . 1 1 79 79 ALA N N 79 124.679 124.679 123.275 1.404 18230 1373 1 3 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.039 -0.352 18230 1374 1 3 . 1 1 79 79 ALA C C 79 178.213 178.213 179.000 -0.787 18230 1375 1 3 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.924 1.084 18230 1376 1 3 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.189 -0.372 18230 1377 1 3 . 1 1 79 79 ALA H H 79 8.964 8.964 8.130 0.834 18230 1378 1 3 . 1 1 80 80 ALA N N 80 120.376 120.376 121.474 -1.098 18230 1379 1 3 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.068 -0.034 18230 1380 1 3 . 1 1 80 80 ALA C C 80 181.852 181.852 179.665 2.187 18230 1381 1 3 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.997 0.286 18230 1382 1 3 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.339 -0.539 18230 1383 1 3 . 1 1 80 80 ALA H H 80 7.794 7.794 8.406 -0.612 18230 1384 1 3 . 1 1 81 81 LEU N N 81 119.275 119.275 118.513 0.762 18230 1385 1 3 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.008 0.032 18230 1386 1 3 . 1 1 81 81 LEU C C 81 179.168 179.168 179.250 -0.082 18230 1387 1 3 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.974 -0.629 18230 1388 1 3 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.233 0.412 18230 1389 1 3 . 1 1 81 81 LEU H H 81 8.494 8.494 8.290 0.204 18230 1390 1 3 . 1 1 82 82 THR N N 82 119.781 119.781 116.506 3.275 18230 1391 1 3 . 1 1 82 82 THR HA H 82 3.800 3.800 3.888 -0.088 18230 1392 1 3 . 1 1 82 82 THR CA C 82 68.473 68.473 67.388 1.085 18230 1393 1 3 . 1 1 82 82 THR CB C 82 67.796 67.796 68.638 -0.842 18230 1394 1 3 . 1 1 82 82 THR H H 82 8.418 8.418 7.872 0.546 18230 1395 1 3 . 1 1 83 83 VAL N N 83 122.419 122.419 121.402 1.017 18230 1396 1 3 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.760 -0.058 18230 1397 1 3 . 1 1 83 83 VAL C C 83 177.781 177.781 177.227 0.554 18230 1398 1 3 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.275 2.036 18230 1399 1 3 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.213 0.462 18230 1400 1 3 . 1 1 83 83 VAL H H 83 8.164 8.164 8.090 0.074 18230 1401 1 3 . 1 1 84 84 ALA N N 84 121.470 121.470 121.923 -0.453 18230 1402 1 3 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.034 0.114 18230 1403 1 3 . 1 1 84 84 ALA C C 84 180.032 180.032 179.232 0.800 18230 1404 1 3 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.400 -0.295 18230 1405 1 3 . 1 1 84 84 ALA CB C 84 17.798 17.798 18.032 -0.234 18230 1406 1 3 . 1 1 84 84 ALA H H 84 7.877 7.877 8.435 -0.558 18230 1407 1 3 . 1 1 85 85 CYS N N 85 117.473 117.473 118.702 -1.229 18230 1408 1 3 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.365 0.059 18230 1409 1 3 . 1 1 85 85 CYS C C 85 176.092 176.092 176.959 -0.867 18230 1410 1 3 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.087 -5.107 18230 1411 1 3 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.066 14.489 18230 1412 1 3 . 1 1 85 85 CYS H H 85 8.370 8.370 8.305 0.065 18230 1413 1 3 . 1 1 86 86 ASN N N 86 119.886 119.886 119.151 0.735 18230 1414 1 3 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.554 -0.318 18230 1415 1 3 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.271 0.989 18230 1416 1 3 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.067 1.611 18230 1417 1 3 . 1 1 87 87 ASN N N 87 117.136 117.136 118.535 -1.399 18230 1418 1 3 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.558 -0.158 18230 1419 1 3 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.427 -1.395 18230 1420 1 3 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.711 -0.882 18230 1421 1 3 . 1 1 87 87 ASN H H 87 8.136 8.136 8.351 -0.215 18230 1422 1 3 . 1 1 88 88 PHE N N 88 119.001 119.001 121.333 -2.332 18230 1423 1 3 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.280 0.010 18230 1424 1 3 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.623 -1.926 18230 1425 1 3 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.043 0.163 18230 1426 1 3 . 1 1 88 88 PHE H H 88 7.865 7.865 8.163 -0.298 18230 1427 1 3 . 1 1 89 89 PHE N N 89 118.050 118.050 119.782 -1.732 18230 1428 1 3 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.160 0.050 18230 1429 1 3 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.420 -1.920 18230 1430 1 3 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.729 -0.242 18230 1431 1 3 . 1 1 89 89 PHE H H 89 7.924 7.924 8.295 -0.371 18230 1432 1 3 . 1 1 90 90 TRP N N 90 119.104 119.104 119.722 -0.618 18230 1433 1 3 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.447 0.029 18230 1434 1 3 . 1 1 90 90 TRP CA C 90 57.688 57.688 60.065 -2.377 18230 1435 1 3 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.369 -0.875 18230 1436 1 3 . 1 1 90 90 TRP H H 90 7.848 7.848 8.296 -0.448 18230 1437 1 3 . 1 1 91 91 GLU N N 91 120.457 120.457 117.675 2.782 18230 1438 1 3 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.439 -0.310 18230 1439 1 3 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.850 1.189 18230 1440 1 3 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.319 -1.286 18230 1441 1 3 . 1 1 91 91 GLU H H 91 7.816 7.816 8.036 -0.220 18230 1442 1 3 . 1 1 92 92 ASN N N 92 125.418 125.418 120.223 5.195 18230 1443 1 3 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.441 -0.031 18230 1444 1 3 . 1 1 92 92 ASN CA C 92 54.731 54.731 52.038 2.693 18230 1445 1 3 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.980 2.094 18230 1446 1 3 . 1 1 92 92 ASN H H 92 7.846 7.846 8.411 -0.565 18230 1447 1 4 . 1 1 2 2 SER HA H 2 4.757 4.757 4.739 0.018 18230 1448 1 4 . 1 1 2 2 SER CA C 2 57.482 57.482 57.433 0.049 18230 1449 1 4 . 1 1 2 2 SER CB C 2 64.893 64.893 67.140 -2.247 18230 1450 1 4 . 1 1 3 3 GLU N N 3 123.948 123.948 122.019 1.929 18230 1451 1 4 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.053 0.072 18230 1452 1 4 . 1 1 3 3 GLU C C 3 179.443 179.443 178.829 0.614 18230 1453 1 4 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.297 1.003 18230 1454 1 4 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.528 0.044 18230 1455 1 4 . 1 1 3 3 GLU H H 3 9.442 9.442 8.904 0.538 18230 1456 1 4 . 1 1 4 4 LEU N N 4 120.236 120.236 120.903 -0.667 18230 1457 1 4 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.042 0.033 18230 1458 1 4 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.518 0.573 18230 1459 1 4 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.742 0.759 18230 1460 1 4 . 1 1 4 4 LEU H H 4 8.907 8.907 8.038 0.869 18230 1461 1 4 . 1 1 5 5 GLU N N 5 119.034 119.034 119.382 -0.348 18230 1462 1 4 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.057 -0.089 18230 1463 1 4 . 1 1 5 5 GLU C C 5 179.234 179.234 178.994 0.240 18230 1464 1 4 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.417 0.723 18230 1465 1 4 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.351 0.065 18230 1466 1 4 . 1 1 5 5 GLU H H 5 8.296 8.296 7.819 0.477 18230 1467 1 4 . 1 1 6 6 THR N N 6 116.586 116.586 116.653 -0.067 18230 1468 1 4 . 1 1 6 6 THR HA H 6 4.008 4.008 3.988 0.020 18230 1469 1 4 . 1 1 6 6 THR CA C 6 66.397 66.397 66.255 0.142 18230 1470 1 4 . 1 1 6 6 THR CB C 6 68.595 68.595 68.620 -0.025 18230 1471 1 4 . 1 1 6 6 THR H H 6 8.282 8.282 8.244 0.038 18230 1472 1 4 . 1 1 7 7 ALA N N 7 126.275 126.275 124.710 1.565 18230 1473 1 4 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.106 0.077 18230 1474 1 4 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.028 0.585 18230 1475 1 4 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.278 -0.338 18230 1476 1 4 . 1 1 7 7 ALA H H 7 8.141 8.141 8.150 -0.009 18230 1477 1 4 . 1 1 8 8 MET N N 8 117.071 117.071 117.862 -0.791 18230 1478 1 4 . 1 1 8 8 MET HA H 8 3.834 3.834 4.033 -0.199 18230 1479 1 4 . 1 1 8 8 MET C C 8 177.846 177.846 178.803 -0.957 18230 1480 1 4 . 1 1 8 8 MET CA C 8 60.757 60.757 59.528 1.229 18230 1481 1 4 . 1 1 8 8 MET CB C 8 34.012 34.012 32.373 1.639 18230 1482 1 4 . 1 1 8 8 MET H H 8 8.269 8.269 8.234 0.035 18230 1483 1 4 . 1 1 9 9 GLU N N 9 117.667 117.667 118.577 -0.910 18230 1484 1 4 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.131 -0.203 18230 1485 1 4 . 1 1 9 9 GLU C C 9 178.933 178.933 179.394 -0.461 18230 1486 1 4 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.446 0.417 18230 1487 1 4 . 1 1 9 9 GLU CB C 9 29.261 29.261 28.873 0.388 18230 1488 1 4 . 1 1 9 9 GLU H H 9 8.105 8.105 8.458 -0.353 18230 1489 1 4 . 1 1 10 10 THR N N 10 118.326 118.326 118.162 0.164 18230 1490 1 4 . 1 1 10 10 THR HA H 10 4.075 4.075 4.068 0.007 18230 1491 1 4 . 1 1 10 10 THR CA C 10 67.311 67.311 66.920 0.391 18230 1492 1 4 . 1 1 10 10 THR CB C 10 67.934 67.934 68.668 -0.734 18230 1493 1 4 . 1 1 10 10 THR H H 10 8.407 8.407 8.198 0.209 18230 1494 1 4 . 1 1 11 11 LEU N N 11 119.765 119.765 121.985 -2.220 18230 1495 1 4 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.098 -0.170 18230 1496 1 4 . 1 1 11 11 LEU C C 11 180.896 180.896 179.100 1.796 18230 1497 1 4 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.381 0.900 18230 1498 1 4 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.420 0.180 18230 1499 1 4 . 1 1 11 11 LEU H H 11 8.131 8.131 8.296 -0.165 18230 1500 1 4 . 1 1 12 12 ILE N N 12 119.540 119.540 120.378 -0.838 18230 1501 1 4 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.827 0.128 18230 1502 1 4 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.833 -0.101 18230 1503 1 4 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.660 1.726 18230 1504 1 4 . 1 1 12 12 ILE H H 12 7.715 7.715 8.480 -0.765 18230 1505 1 4 . 1 1 13 13 ASN N N 13 121.587 121.587 118.602 2.985 18230 1506 1 4 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.554 -0.023 18230 1507 1 4 . 1 1 13 13 ASN C C 13 178.867 178.867 178.316 0.551 18230 1508 1 4 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.240 0.189 18230 1509 1 4 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.123 -0.062 18230 1510 1 4 . 1 1 13 13 ASN H H 13 9.040 9.040 8.604 0.436 18230 1511 1 4 . 1 1 14 14 VAL N N 14 120.603 120.603 117.543 3.060 18230 1512 1 4 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.819 -0.012 18230 1513 1 4 . 1 1 14 14 VAL C C 14 177.113 177.113 177.289 -0.176 18230 1514 1 4 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.274 0.234 18230 1515 1 4 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.550 0.047 18230 1516 1 4 . 1 1 14 14 VAL H H 14 8.954 8.954 8.235 0.719 18230 1517 1 4 . 1 1 15 15 PHE N N 15 117.585 117.585 122.322 -4.737 18230 1518 1 4 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.586 -0.127 18230 1519 1 4 . 1 1 15 15 PHE C C 15 177.257 177.257 176.503 0.754 18230 1520 1 4 . 1 1 15 15 PHE CA C 15 62.576 62.576 62.093 0.483 18230 1521 1 4 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.555 0.497 18230 1522 1 4 . 1 1 15 15 PHE H H 15 6.956 6.956 8.327 -1.371 18230 1523 1 4 . 1 1 16 16 HIS N N 16 115.204 115.204 119.835 -4.631 18230 1524 1 4 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.914 0.925 18230 1525 1 4 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.106 -0.628 18230 1526 1 4 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.637 -0.717 18230 1527 1 4 . 1 1 16 16 HIS H H 16 7.736 7.736 8.547 -0.811 18230 1528 1 4 . 1 1 17 17 ALA N N 17 123.201 123.201 121.797 1.404 18230 1529 1 4 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.770 0.266 18230 1530 1 4 . 1 1 17 17 ALA C C 17 178.867 178.867 179.641 -0.774 18230 1531 1 4 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.974 -0.829 18230 1532 1 4 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.099 -0.438 18230 1533 1 4 . 1 1 17 17 ALA H H 17 8.066 8.066 7.956 0.110 18230 1534 1 4 . 1 1 18 18 HIS N N 18 113.974 113.974 117.104 -3.130 18230 1535 1 4 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.158 0.214 18230 1536 1 4 . 1 1 18 18 HIS C C 18 175.568 175.568 177.772 -2.204 18230 1537 1 4 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.733 -2.320 18230 1538 1 4 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.645 3.108 18230 1539 1 4 . 1 1 18 18 HIS H H 18 7.047 7.047 8.267 -1.220 18230 1540 1 4 . 1 1 19 19 SER N N 19 113.745 113.745 114.728 -0.983 18230 1541 1 4 . 1 1 19 19 SER HA H 19 3.658 3.658 4.066 -0.408 18230 1542 1 4 . 1 1 19 19 SER CA C 19 61.247 61.247 60.404 0.843 18230 1543 1 4 . 1 1 19 19 SER CB C 19 61.323 61.323 62.351 -1.028 18230 1544 1 4 . 1 1 19 19 SER H H 19 8.470 8.470 7.953 0.517 18230 1545 1 4 . 1 1 20 20 GLY N N 20 111.711 111.711 108.621 3.090 18230 1546 1 4 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.495 -0.113 18230 1547 1 4 . 1 1 20 20 GLY H H 20 7.739 7.739 7.479 0.260 18230 1548 1 4 . 1 1 21 21 LYS N N 21 122.328 122.328 120.965 1.363 18230 1549 1 4 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.872 0.042 18230 1550 1 4 . 1 1 21 21 LYS C C 21 177.192 177.192 176.902 0.290 18230 1551 1 4 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.143 1.194 18230 1552 1 4 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.661 0.027 18230 1553 1 4 . 1 1 21 21 LYS H H 21 7.200 7.200 7.427 -0.227 18230 1554 1 4 . 1 1 22 22 GLU N N 22 115.975 115.975 117.644 -1.669 18230 1555 1 4 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.323 0.334 18230 1556 1 4 . 1 1 22 22 GLU C C 22 175.882 175.882 175.192 0.690 18230 1557 1 4 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.293 -1.189 18230 1558 1 4 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.252 0.751 18230 1559 1 4 . 1 1 22 22 GLU H H 22 9.369 9.369 7.733 1.636 18230 1560 1 4 . 1 1 23 23 GLY CA C 23 45.836 45.836 44.647 1.189 18230 1561 1 4 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.901 0.375 18230 1562 1 4 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.380 -0.400 18230 1563 1 4 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.435 -1.227 18230 1564 1 4 . 1 1 26 26 TYR N N 26 119.825 119.825 114.615 5.210 18230 1565 1 4 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.750 -0.045 18230 1566 1 4 . 1 1 26 26 TYR C C 26 173.696 173.696 174.860 -1.164 18230 1567 1 4 . 1 1 26 26 TYR CA C 26 56.180 56.180 57.808 -1.628 18230 1568 1 4 . 1 1 26 26 TYR CB C 26 38.049 38.049 38.068 -0.019 18230 1569 1 4 . 1 1 26 26 TYR H H 26 9.414 9.414 7.843 1.571 18230 1570 1 4 . 1 1 27 27 LYS N N 27 114.922 114.922 120.257 -5.335 18230 1571 1 4 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.930 0.190 18230 1572 1 4 . 1 1 27 27 LYS C C 27 174.678 174.678 174.083 0.595 18230 1573 1 4 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.974 0.016 18230 1574 1 4 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.678 2.163 18230 1575 1 4 . 1 1 27 27 LYS H H 27 7.107 7.107 7.884 -0.777 18230 1576 1 4 . 1 1 28 28 LEU N N 28 125.976 125.976 127.263 -1.287 18230 1577 1 4 . 1 1 28 28 LEU HA H 28 5.184 5.184 5.010 0.174 18230 1578 1 4 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.835 -0.060 18230 1579 1 4 . 1 1 28 28 LEU CB C 28 43.037 43.037 46.036 -2.999 18230 1580 1 4 . 1 1 28 28 LEU H H 28 9.757 9.757 9.300 0.457 18230 1581 1 4 . 1 1 29 29 SER N N 29 121.025 121.025 120.806 0.219 18230 1582 1 4 . 1 1 29 29 SER HA H 29 4.558 4.558 4.814 -0.256 18230 1583 1 4 . 1 1 29 29 SER C C 29 174.338 174.338 175.396 -1.058 18230 1584 1 4 . 1 1 29 29 SER CA C 29 56.208 56.208 56.112 0.096 18230 1585 1 4 . 1 1 29 29 SER CB C 29 65.480 65.480 65.833 -0.353 18230 1586 1 4 . 1 1 29 29 SER H H 29 9.908 9.908 8.238 1.670 18230 1587 1 4 . 1 1 30 30 LYS N N 30 120.385 120.385 123.140 -2.755 18230 1588 1 4 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.854 -0.007 18230 1589 1 4 . 1 1 30 30 LYS C C 30 177.859 177.859 178.449 -0.590 18230 1590 1 4 . 1 1 30 30 LYS CA C 30 61.302 61.302 61.046 0.256 18230 1591 1 4 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.438 -0.427 18230 1592 1 4 . 1 1 30 30 LYS H H 30 8.845 8.845 9.142 -0.297 18230 1593 1 4 . 1 1 31 31 LYS N N 31 118.358 118.358 116.822 1.536 18230 1594 1 4 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.053 -0.152 18230 1595 1 4 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.126 0.487 18230 1596 1 4 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.852 1.147 18230 1597 1 4 . 1 1 31 31 LYS H H 31 7.924 7.924 8.304 -0.380 18230 1598 1 4 . 1 1 32 32 GLU N N 32 119.355 119.355 120.373 -1.018 18230 1599 1 4 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.088 -0.187 18230 1600 1 4 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.114 -0.276 18230 1601 1 4 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.727 0.936 18230 1602 1 4 . 1 1 32 32 GLU H H 32 7.502 7.502 7.538 -0.036 18230 1603 1 4 . 1 1 33 33 LEU N N 33 119.533 119.533 117.516 2.017 18230 1604 1 4 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.013 -0.105 18230 1605 1 4 . 1 1 33 33 LEU C C 33 177.571 177.571 178.633 -1.062 18230 1606 1 4 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.593 -0.818 18230 1607 1 4 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.042 0.447 18230 1608 1 4 . 1 1 33 33 LEU H H 33 9.076 9.076 8.681 0.395 18230 1609 1 4 . 1 1 34 34 LYS N N 34 119.251 119.251 119.367 -0.116 18230 1610 1 4 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.909 -0.263 18230 1611 1 4 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.378 1.205 18230 1612 1 4 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.956 0.109 18230 1613 1 4 . 1 1 34 34 LYS H H 34 8.262 8.262 8.423 -0.161 18230 1614 1 4 . 1 1 35 35 GLU N N 35 117.642 117.642 119.777 -2.135 18230 1615 1 4 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.123 -0.128 18230 1616 1 4 . 1 1 35 35 GLU C C 35 178.776 178.776 178.923 -0.147 18230 1617 1 4 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.112 0.474 18230 1618 1 4 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.801 -0.852 18230 1619 1 4 . 1 1 35 35 GLU H H 35 7.742 7.742 7.800 -0.058 18230 1620 1 4 . 1 1 36 36 LEU N N 36 124.753 124.753 122.418 2.335 18230 1621 1 4 . 1 1 36 36 LEU HA H 36 2.696 2.696 2.975 -0.279 18230 1622 1 4 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.198 2.499 18230 1623 1 4 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.718 0.250 18230 1624 1 4 . 1 1 36 36 LEU H H 36 8.304 8.304 8.176 0.128 18230 1625 1 4 . 1 1 37 37 LEU N N 37 119.058 119.058 118.024 1.034 18230 1626 1 4 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.959 -0.232 18230 1627 1 4 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.029 0.284 18230 1628 1 4 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.874 0.926 18230 1629 1 4 . 1 1 37 37 LEU H H 37 8.684 8.684 8.341 0.343 18230 1630 1 4 . 1 1 38 38 GLN N N 38 114.728 114.728 116.445 -1.717 18230 1631 1 4 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.183 -0.242 18230 1632 1 4 . 1 1 38 38 GLN C C 38 177.584 177.584 178.279 -0.695 18230 1633 1 4 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.689 -0.211 18230 1634 1 4 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.954 0.073 18230 1635 1 4 . 1 1 38 38 GLN H H 38 8.510 8.510 7.637 0.873 18230 1636 1 4 . 1 1 39 39 THR N N 39 110.419 110.419 110.130 0.289 18230 1637 1 4 . 1 1 39 39 THR HA H 39 4.238 4.238 4.197 0.041 18230 1638 1 4 . 1 1 39 39 THR C C 39 176.341 176.341 175.811 0.530 18230 1639 1 4 . 1 1 39 39 THR CA C 39 64.874 64.874 64.990 -0.116 18230 1640 1 4 . 1 1 39 39 THR CB C 39 69.919 69.919 69.151 0.768 18230 1641 1 4 . 1 1 39 39 THR H H 39 7.863 7.863 8.087 -0.224 18230 1642 1 4 . 1 1 40 40 GLU N N 40 117.514 117.514 120.721 -3.207 18230 1643 1 4 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.497 0.256 18230 1644 1 4 . 1 1 40 40 GLU C C 40 177.807 177.807 176.656 1.151 18230 1645 1 4 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.079 -0.597 18230 1646 1 4 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.158 0.631 18230 1647 1 4 . 1 1 40 40 GLU H H 40 8.468 8.468 8.131 0.337 18230 1648 1 4 . 1 1 41 41 LEU N N 41 121.141 121.141 121.508 -0.367 18230 1649 1 4 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.610 0.403 18230 1650 1 4 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.482 -1.652 18230 1651 1 4 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.060 0.563 18230 1652 1 4 . 1 1 41 41 LEU H H 41 7.682 7.682 8.201 -0.519 18230 1653 1 4 . 1 1 42 42 SER N N 42 116.557 116.557 118.037 -1.480 18230 1654 1 4 . 1 1 42 42 SER HA H 42 4.055 4.055 4.466 -0.411 18230 1655 1 4 . 1 1 42 42 SER C C 42 176.537 176.537 176.520 0.017 18230 1656 1 4 . 1 1 42 42 SER CA C 42 61.552 61.552 60.597 0.955 18230 1657 1 4 . 1 1 42 42 SER CB C 42 62.783 62.783 64.306 -1.523 18230 1658 1 4 . 1 1 42 42 SER H H 42 8.186 8.186 8.813 -0.627 18230 1659 1 4 . 1 1 43 43 GLY N N 43 111.517 111.517 110.988 0.529 18230 1660 1 4 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.833 -0.786 18230 1661 1 4 . 1 1 43 43 GLY H H 43 8.880 8.880 8.833 0.047 18230 1662 1 4 . 1 1 44 44 PHE N N 44 122.405 122.405 119.375 3.030 18230 1663 1 4 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.169 0.188 18230 1664 1 4 . 1 1 44 44 PHE C C 44 176.851 176.851 177.357 -0.506 18230 1665 1 4 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.081 -1.246 18230 1666 1 4 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.618 1.002 18230 1667 1 4 . 1 1 44 44 PHE H H 44 7.972 7.972 8.062 -0.090 18230 1668 1 4 . 1 1 45 45 LEU N N 45 119.444 119.444 118.449 0.995 18230 1669 1 4 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.150 -0.221 18230 1670 1 4 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.852 -0.589 18230 1671 1 4 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.300 0.657 18230 1672 1 4 . 1 1 45 45 LEU H H 45 8.148 8.148 7.701 0.447 18230 1673 1 4 . 1 1 46 46 ASP N N 46 120.023 120.023 120.291 -0.268 18230 1674 1 4 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.341 0.035 18230 1675 1 4 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.524 -0.842 18230 1676 1 4 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.880 -0.092 18230 1677 1 4 . 1 1 46 46 ASP H H 46 8.307 8.307 8.409 -0.102 18230 1678 1 4 . 1 1 47 47 ALA N N 47 121.156 121.156 120.201 0.955 18230 1679 1 4 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.098 0.058 18230 1680 1 4 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.803 -0.890 18230 1681 1 4 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.882 -0.228 18230 1682 1 4 . 1 1 47 47 ALA H H 47 7.606 7.606 7.581 0.025 18230 1683 1 4 . 1 1 48 48 GLN N N 48 116.408 116.408 117.899 -1.491 18230 1684 1 4 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.394 -0.258 18230 1685 1 4 . 1 1 48 48 GLN C C 48 175.882 175.882 176.171 -0.289 18230 1686 1 4 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.797 0.565 18230 1687 1 4 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.511 -0.029 18230 1688 1 4 . 1 1 48 48 GLN H H 48 7.665 7.665 7.540 0.125 18230 1689 1 4 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.090 0.039 18230 1690 1 4 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.730 -1.024 18230 1691 1 4 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.683 -0.385 18230 1692 1 4 . 1 1 50 50 ASP N N 50 118.824 118.824 119.258 -0.434 18230 1693 1 4 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.632 -0.084 18230 1694 1 4 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.265 -0.300 18230 1695 1 4 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.447 0.588 18230 1696 1 4 . 1 1 50 50 ASP H H 50 7.982 7.982 7.919 0.063 18230 1697 1 4 . 1 1 51 51 VAL N N 51 121.055 121.055 119.249 1.806 18230 1698 1 4 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.898 0.053 18230 1699 1 4 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.784 -1.128 18230 1700 1 4 . 1 1 51 51 VAL CB C 51 32.000 32.000 32.150 -0.150 18230 1701 1 4 . 1 1 51 51 VAL H H 51 8.231 8.231 8.349 -0.118 18230 1702 1 4 . 1 1 52 52 ASP N N 52 121.189 121.189 120.495 0.694 18230 1703 1 4 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.619 0.140 18230 1704 1 4 . 1 1 52 52 ASP C C 52 176.367 176.367 177.239 -0.872 18230 1705 1 4 . 1 1 52 52 ASP CA C 52 53.716 53.716 55.258 -1.542 18230 1706 1 4 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.355 1.044 18230 1707 1 4 . 1 1 52 52 ASP H H 52 8.410 8.410 8.697 -0.287 18230 1708 1 4 . 1 1 53 53 ALA N N 53 123.582 123.582 123.664 -0.082 18230 1709 1 4 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.044 -0.112 18230 1710 1 4 . 1 1 53 53 ALA C C 53 179.208 179.208 178.692 0.516 18230 1711 1 4 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.205 0.062 18230 1712 1 4 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.531 0.626 18230 1713 1 4 . 1 1 53 53 ALA H H 53 7.755 7.755 7.460 0.295 18230 1714 1 4 . 1 1 54 54 VAL N N 54 116.235 116.235 118.194 -1.959 18230 1715 1 4 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.655 -0.200 18230 1716 1 4 . 1 1 54 54 VAL C C 54 176.432 176.432 176.292 0.140 18230 1717 1 4 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.415 -0.171 18230 1718 1 4 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.590 -0.826 18230 1719 1 4 . 1 1 54 54 VAL H H 54 8.300 8.300 7.577 0.723 18230 1720 1 4 . 1 1 55 55 ASP N N 55 120.594 120.594 119.526 1.068 18230 1721 1 4 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.350 -0.195 18230 1722 1 4 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.867 -0.283 18230 1723 1 4 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.018 0.812 18230 1724 1 4 . 1 1 55 55 ASP H H 55 7.684 7.684 7.656 0.028 18230 1725 1 4 . 1 1 56 56 LYS N N 56 119.178 119.178 120.043 -0.865 18230 1726 1 4 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.028 -0.100 18230 1727 1 4 . 1 1 56 56 LYS C C 56 178.697 178.697 179.248 -0.551 18230 1728 1 4 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.397 0.106 18230 1729 1 4 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.497 -0.207 18230 1730 1 4 . 1 1 56 56 LYS H H 56 7.638 7.638 7.977 -0.339 18230 1731 1 4 . 1 1 57 57 VAL N N 57 119.870 119.870 119.038 0.832 18230 1732 1 4 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.758 -0.034 18230 1733 1 4 . 1 1 57 57 VAL C C 57 177.558 177.558 178.121 -0.563 18230 1734 1 4 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.353 -0.427 18230 1735 1 4 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.779 -0.632 18230 1736 1 4 . 1 1 57 57 VAL H H 57 7.928 7.928 8.109 -0.181 18230 1737 1 4 . 1 1 58 58 MET N N 58 118.736 118.736 118.533 0.203 18230 1738 1 4 . 1 1 58 58 MET HA H 58 3.928 3.928 4.171 -0.243 18230 1739 1 4 . 1 1 58 58 MET C C 58 177.021 177.021 177.809 -0.788 18230 1740 1 4 . 1 1 58 58 MET CA C 58 58.534 58.534 58.927 -0.393 18230 1741 1 4 . 1 1 58 58 MET CB C 58 32.065 32.065 32.125 -0.060 18230 1742 1 4 . 1 1 58 58 MET H H 58 8.443 8.443 8.349 0.094 18230 1743 1 4 . 1 1 59 59 LYS N N 59 116.214 116.214 118.933 -2.719 18230 1744 1 4 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.933 0.035 18230 1745 1 4 . 1 1 59 59 LYS C C 59 178.893 178.893 178.430 0.463 18230 1746 1 4 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.621 -0.755 18230 1747 1 4 . 1 1 59 59 LYS CB C 59 32.065 32.065 32.094 -0.029 18230 1748 1 4 . 1 1 59 59 LYS H H 59 7.629 7.629 8.159 -0.530 18230 1749 1 4 . 1 1 60 60 GLU N N 60 117.288 117.288 116.724 0.564 18230 1750 1 4 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.155 -0.120 18230 1751 1 4 . 1 1 60 60 GLU C C 60 178.173 178.173 178.381 -0.208 18230 1752 1 4 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.247 -0.018 18230 1753 1 4 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.645 0.161 18230 1754 1 4 . 1 1 60 60 GLU H H 60 7.599 7.599 7.552 0.047 18230 1755 1 4 . 1 1 61 61 LEU N N 61 116.163 116.163 119.000 -2.837 18230 1756 1 4 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.166 0.204 18230 1757 1 4 . 1 1 61 61 LEU C C 61 178.893 178.893 177.757 1.136 18230 1758 1 4 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.249 -1.010 18230 1759 1 4 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.209 1.732 18230 1760 1 4 . 1 1 61 61 LEU H H 61 8.060 8.060 7.188 0.872 18230 1761 1 4 . 1 1 62 62 ASP N N 62 116.934 116.934 117.891 -0.957 18230 1762 1 4 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.837 -0.171 18230 1763 1 4 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.837 -0.592 18230 1764 1 4 . 1 1 62 62 ASP CB C 62 39.009 39.009 40.201 -1.192 18230 1765 1 4 . 1 1 62 62 ASP H H 62 8.012 8.012 8.012 -0.000 18230 1766 1 4 . 1 1 63 63 GLU N N 63 129.388 129.388 127.054 2.334 18230 1767 1 4 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.037 -0.015 18230 1768 1 4 . 1 1 63 63 GLU C C 63 177.519 177.519 177.914 -0.395 18230 1769 1 4 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.792 -0.120 18230 1770 1 4 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.976 0.531 18230 1771 1 4 . 1 1 63 63 GLU H H 63 8.356 8.356 8.367 -0.011 18230 1772 1 4 . 1 1 64 64 ASN N N 64 112.751 112.751 116.291 -3.540 18230 1773 1 4 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.539 0.194 18230 1774 1 4 . 1 1 64 64 ASN C C 64 176.498 176.498 176.049 0.449 18230 1775 1 4 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.406 -2.517 18230 1776 1 4 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.946 -1.774 18230 1777 1 4 . 1 1 64 64 ASN H H 64 7.997 7.997 7.911 0.086 18230 1778 1 4 . 1 1 65 65 GLY N N 65 109.265 109.265 106.896 2.369 18230 1779 1 4 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.593 1.810 18230 1780 1 4 . 1 1 65 65 GLY H H 65 7.552 7.552 8.236 -0.684 18230 1781 1 4 . 1 1 66 66 ASP N N 66 119.331 119.331 121.937 -2.606 18230 1782 1 4 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.468 0.064 18230 1783 1 4 . 1 1 66 66 ASP CA C 66 53.190 53.190 54.296 -1.106 18230 1784 1 4 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.902 -0.659 18230 1785 1 4 . 1 1 66 66 ASP H H 66 8.124 8.124 7.964 0.160 18230 1786 1 4 . 1 1 67 67 GLY N N 67 113.348 113.348 107.484 5.864 18230 1787 1 4 . 1 1 67 67 GLY CA C 67 45.604 45.604 44.855 0.749 18230 1788 1 4 . 1 1 67 67 GLY H H 67 10.285 10.285 9.154 1.131 18230 1789 1 4 . 1 1 68 68 GLU N N 68 117.060 117.060 120.023 -2.963 18230 1790 1 4 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.597 0.204 18230 1791 1 4 . 1 1 68 68 GLU C C 68 175.176 175.176 175.075 0.101 18230 1792 1 4 . 1 1 68 68 GLU CA C 68 54.510 54.510 55.190 -0.680 18230 1793 1 4 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.716 3.507 18230 1794 1 4 . 1 1 68 68 GLU H H 68 7.732 7.732 8.832 -1.100 18230 1795 1 4 . 1 1 69 69 VAL N N 69 125.264 125.264 122.030 3.234 18230 1796 1 4 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.832 0.408 18230 1797 1 4 . 1 1 69 69 VAL C C 69 175.961 175.961 175.114 0.847 18230 1798 1 4 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.894 0.251 18230 1799 1 4 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.640 0.045 18230 1800 1 4 . 1 1 69 69 VAL H H 69 9.392 9.392 8.824 0.568 18230 1801 1 4 . 1 1 70 70 ASP N N 70 129.378 129.378 126.304 3.074 18230 1802 1 4 . 1 1 70 70 ASP HA H 70 5.161 5.161 5.001 0.160 18230 1803 1 4 . 1 1 70 70 ASP C C 70 175.032 175.032 176.728 -1.696 18230 1804 1 4 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.250 0.165 18230 1805 1 4 . 1 1 70 70 ASP CB C 70 41.839 41.839 42.661 -0.822 18230 1806 1 4 . 1 1 70 70 ASP H H 70 9.112 9.112 8.641 0.471 18230 1807 1 4 . 1 1 71 71 PHE N N 71 118.452 118.452 120.875 -2.423 18230 1808 1 4 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.052 -0.139 18230 1809 1 4 . 1 1 71 71 PHE C C 71 176.576 176.576 176.832 -0.256 18230 1810 1 4 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.571 2.863 18230 1811 1 4 . 1 1 71 71 PHE CB C 71 39.231 39.231 39.095 0.136 18230 1812 1 4 . 1 1 71 71 PHE H H 71 8.948 8.948 8.700 0.248 18230 1813 1 4 . 1 1 72 72 GLN N N 72 116.934 116.934 118.371 -1.437 18230 1814 1 4 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.841 -0.153 18230 1815 1 4 . 1 1 72 72 GLN C C 72 178.056 178.056 178.341 -0.285 18230 1816 1 4 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.423 0.170 18230 1817 1 4 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.167 -0.003 18230 1818 1 4 . 1 1 72 72 GLN H H 72 8.012 8.012 8.414 -0.402 18230 1819 1 4 . 1 1 73 73 GLU N N 73 120.208 120.208 120.592 -0.384 18230 1820 1 4 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.015 0.051 18230 1821 1 4 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.667 -1.161 18230 1822 1 4 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.787 0.330 18230 1823 1 4 . 1 1 73 73 GLU H H 73 8.308 8.308 9.742 -1.434 18230 1824 1 4 . 1 1 74 74 TYR N N 74 121.623 121.623 121.674 -0.051 18230 1825 1 4 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.184 -0.095 18230 1826 1 4 . 1 1 74 74 TYR C C 74 176.485 176.485 177.620 -1.135 18230 1827 1 4 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.669 -2.194 18230 1828 1 4 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.757 -0.751 18230 1829 1 4 . 1 1 74 74 TYR H H 74 8.339 8.339 8.517 -0.178 18230 1830 1 4 . 1 1 75 75 VAL N N 75 120.827 120.827 119.539 1.288 18230 1831 1 4 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.703 -0.829 18230 1832 1 4 . 1 1 75 75 VAL C C 75 176.563 176.563 178.002 -1.439 18230 1833 1 4 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.964 -0.610 18230 1834 1 4 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.601 -0.950 18230 1835 1 4 . 1 1 75 75 VAL H H 75 8.088 8.088 8.369 -0.281 18230 1836 1 4 . 1 1 76 76 VAL N N 76 120.216 120.216 118.167 2.049 18230 1837 1 4 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.709 -0.294 18230 1838 1 4 . 1 1 76 76 VAL C C 76 178.645 178.645 177.573 1.072 18230 1839 1 4 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.395 0.463 18230 1840 1 4 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.118 0.182 18230 1841 1 4 . 1 1 76 76 VAL H H 76 7.132 7.132 7.957 -0.825 18230 1842 1 4 . 1 1 77 77 LEU N N 77 120.900 120.900 121.786 -0.886 18230 1843 1 4 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.884 0.144 18230 1844 1 4 . 1 1 77 77 LEU C C 77 177.362 177.362 178.276 -0.914 18230 1845 1 4 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.385 -0.710 18230 1846 1 4 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.689 -1.134 18230 1847 1 4 . 1 1 77 77 LEU H H 77 6.860 6.860 7.843 -0.983 18230 1848 1 4 . 1 1 78 78 VAL N N 78 116.991 116.991 115.885 1.106 18230 1849 1 4 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.455 -0.332 18230 1850 1 4 . 1 1 78 78 VAL C C 78 179.142 179.142 177.879 1.263 18230 1851 1 4 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.874 0.954 18230 1852 1 4 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.489 0.812 18230 1853 1 4 . 1 1 78 78 VAL H H 78 7.519 7.519 7.998 -0.479 18230 1854 1 4 . 1 1 79 79 ALA N N 79 124.679 124.679 123.766 0.913 18230 1855 1 4 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.006 -0.319 18230 1856 1 4 . 1 1 79 79 ALA C C 79 178.213 178.213 179.080 -0.867 18230 1857 1 4 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.956 1.052 18230 1858 1 4 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.344 -0.527 18230 1859 1 4 . 1 1 79 79 ALA H H 79 8.964 8.964 8.225 0.739 18230 1860 1 4 . 1 1 80 80 ALA N N 80 120.376 120.376 121.363 -0.987 18230 1861 1 4 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.069 -0.035 18230 1862 1 4 . 1 1 80 80 ALA C C 80 181.852 181.852 179.644 2.208 18230 1863 1 4 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.971 0.312 18230 1864 1 4 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.324 -0.524 18230 1865 1 4 . 1 1 80 80 ALA H H 80 7.794 7.794 8.374 -0.580 18230 1866 1 4 . 1 1 81 81 LEU N N 81 119.275 119.275 118.508 0.767 18230 1867 1 4 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.001 0.039 18230 1868 1 4 . 1 1 81 81 LEU C C 81 179.168 179.168 179.277 -0.109 18230 1869 1 4 . 1 1 81 81 LEU CA C 81 57.345 57.345 58.184 -0.839 18230 1870 1 4 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.227 0.418 18230 1871 1 4 . 1 1 81 81 LEU H H 81 8.494 8.494 8.252 0.242 18230 1872 1 4 . 1 1 82 82 THR N N 82 119.781 119.781 116.817 2.964 18230 1873 1 4 . 1 1 82 82 THR HA H 82 3.800 3.800 3.875 -0.075 18230 1874 1 4 . 1 1 82 82 THR CA C 82 68.473 68.473 67.323 1.150 18230 1875 1 4 . 1 1 82 82 THR CB C 82 67.796 67.796 68.698 -0.902 18230 1876 1 4 . 1 1 82 82 THR H H 82 8.418 8.418 7.799 0.619 18230 1877 1 4 . 1 1 83 83 VAL N N 83 122.419 122.419 121.603 0.816 18230 1878 1 4 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.744 -0.042 18230 1879 1 4 . 1 1 83 83 VAL C C 83 177.781 177.781 176.541 1.240 18230 1880 1 4 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.872 1.439 18230 1881 1 4 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.709 -0.034 18230 1882 1 4 . 1 1 83 83 VAL H H 83 8.164 8.164 8.114 0.049 18230 1883 1 4 . 1 1 84 84 ALA N N 84 121.470 121.470 121.609 -0.139 18230 1884 1 4 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.111 0.037 18230 1885 1 4 . 1 1 84 84 ALA C C 84 180.032 180.032 179.595 0.437 18230 1886 1 4 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.165 -0.060 18230 1887 1 4 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.846 -0.048 18230 1888 1 4 . 1 1 84 84 ALA H H 84 7.877 7.877 8.355 -0.478 18230 1889 1 4 . 1 1 85 85 CYS N N 85 117.473 117.473 118.976 -1.503 18230 1890 1 4 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.358 0.066 18230 1891 1 4 . 1 1 85 85 CYS C C 85 176.092 176.092 176.896 -0.804 18230 1892 1 4 . 1 1 85 85 CYS CA C 85 57.980 57.980 62.985 -5.005 18230 1893 1 4 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.108 14.447 18230 1894 1 4 . 1 1 85 85 CYS H H 85 8.370 8.370 8.318 0.052 18230 1895 1 4 . 1 1 86 86 ASN N N 86 119.886 119.886 118.813 1.073 18230 1896 1 4 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.584 -0.348 18230 1897 1 4 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.469 0.791 18230 1898 1 4 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.097 1.581 18230 1899 1 4 . 1 1 87 87 ASN N N 87 117.136 117.136 118.596 -1.460 18230 1900 1 4 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.551 -0.151 18230 1901 1 4 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.149 -1.117 18230 1902 1 4 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.147 -0.318 18230 1903 1 4 . 1 1 87 87 ASN H H 87 8.136 8.136 8.460 -0.324 18230 1904 1 4 . 1 1 88 88 PHE N N 88 119.001 119.001 122.302 -3.301 18230 1905 1 4 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.214 0.076 18230 1906 1 4 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.532 -1.835 18230 1907 1 4 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.257 -0.051 18230 1908 1 4 . 1 1 88 88 PHE H H 88 7.865 7.865 8.135 -0.270 18230 1909 1 4 . 1 1 89 89 PHE N N 89 118.050 118.050 118.792 -0.742 18230 1910 1 4 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.163 0.047 18230 1911 1 4 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.191 -1.691 18230 1912 1 4 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.611 -0.124 18230 1913 1 4 . 1 1 89 89 PHE H H 89 7.924 7.924 8.285 -0.361 18230 1914 1 4 . 1 1 90 90 TRP N N 90 119.104 119.104 119.831 -0.727 18230 1915 1 4 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.451 0.025 18230 1916 1 4 . 1 1 90 90 TRP CA C 90 57.688 57.688 59.496 -1.808 18230 1917 1 4 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.485 -0.991 18230 1918 1 4 . 1 1 90 90 TRP H H 90 7.848 7.848 8.305 -0.457 18230 1919 1 4 . 1 1 91 91 GLU N N 91 120.457 120.457 118.493 1.964 18230 1920 1 4 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.520 -0.391 18230 1921 1 4 . 1 1 91 91 GLU CA C 91 57.039 57.039 54.898 2.141 18230 1922 1 4 . 1 1 91 91 GLU CB C 91 30.033 30.033 32.065 -2.032 18230 1923 1 4 . 1 1 91 91 GLU H H 91 7.816 7.816 8.062 -0.246 18230 1924 1 4 . 1 1 92 92 ASN N N 92 125.418 125.418 122.078 3.340 18230 1925 1 4 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.530 -0.120 18230 1926 1 4 . 1 1 92 92 ASN CA C 92 54.731 54.731 53.257 1.474 18230 1927 1 4 . 1 1 92 92 ASN CB C 92 41.074 41.074 40.189 0.885 18230 1928 1 4 . 1 1 92 92 ASN H H 92 7.846 7.846 8.406 -0.560 18230 1929 1 5 . 1 1 2 2 SER HA H 2 4.757 4.757 4.481 0.276 18230 1930 1 5 . 1 1 2 2 SER CA C 2 57.482 57.482 57.898 -0.416 18230 1931 1 5 . 1 1 2 2 SER CB C 2 64.893 64.893 64.140 0.753 18230 1932 1 5 . 1 1 3 3 GLU N N 3 123.948 123.948 123.425 0.523 18230 1933 1 5 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.034 0.091 18230 1934 1 5 . 1 1 3 3 GLU C C 3 179.443 179.443 177.598 1.845 18230 1935 1 5 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.031 1.269 18230 1936 1 5 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.441 0.131 18230 1937 1 5 . 1 1 3 3 GLU H H 3 9.442 9.442 8.626 0.816 18230 1938 1 5 . 1 1 4 4 LEU N N 4 120.236 120.236 119.996 0.240 18230 1939 1 5 . 1 1 4 4 LEU HA H 4 4.075 4.075 3.971 0.104 18230 1940 1 5 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.822 0.269 18230 1941 1 5 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.907 0.595 18230 1942 1 5 . 1 1 4 4 LEU H H 4 8.907 8.907 8.034 0.873 18230 1943 1 5 . 1 1 5 5 GLU N N 5 119.034 119.034 118.245 0.789 18230 1944 1 5 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.072 -0.104 18230 1945 1 5 . 1 1 5 5 GLU C C 5 179.234 179.234 179.140 0.094 18230 1946 1 5 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.377 0.763 18230 1947 1 5 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.007 0.409 18230 1948 1 5 . 1 1 5 5 GLU H H 5 8.296 8.296 8.275 0.021 18230 1949 1 5 . 1 1 6 6 THR N N 6 116.586 116.586 117.196 -0.610 18230 1950 1 5 . 1 1 6 6 THR HA H 6 4.008 4.008 4.027 -0.019 18230 1951 1 5 . 1 1 6 6 THR CA C 6 66.397 66.397 66.442 -0.045 18230 1952 1 5 . 1 1 6 6 THR CB C 6 68.595 68.595 68.625 -0.030 18230 1953 1 5 . 1 1 6 6 THR H H 6 8.282 8.282 7.534 0.748 18230 1954 1 5 . 1 1 7 7 ALA N N 7 126.275 126.275 124.553 1.722 18230 1955 1 5 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.109 0.074 18230 1956 1 5 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.020 0.593 18230 1957 1 5 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.299 -0.359 18230 1958 1 5 . 1 1 7 7 ALA H H 7 8.141 8.141 8.110 0.031 18230 1959 1 5 . 1 1 8 8 MET N N 8 117.071 117.071 118.142 -1.071 18230 1960 1 5 . 1 1 8 8 MET HA H 8 3.834 3.834 3.993 -0.159 18230 1961 1 5 . 1 1 8 8 MET C C 8 177.846 177.846 178.832 -0.986 18230 1962 1 5 . 1 1 8 8 MET CA C 8 60.757 60.757 59.687 1.070 18230 1963 1 5 . 1 1 8 8 MET CB C 8 34.012 34.012 32.505 1.508 18230 1964 1 5 . 1 1 8 8 MET H H 8 8.269 8.269 8.218 0.051 18230 1965 1 5 . 1 1 9 9 GLU N N 9 117.667 117.667 118.779 -1.112 18230 1966 1 5 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.037 -0.109 18230 1967 1 5 . 1 1 9 9 GLU C C 9 178.933 178.933 179.185 -0.252 18230 1968 1 5 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.825 0.038 18230 1969 1 5 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.453 -0.192 18230 1970 1 5 . 1 1 9 9 GLU H H 9 8.105 8.105 8.669 -0.564 18230 1971 1 5 . 1 1 10 10 THR N N 10 118.326 118.326 117.656 0.670 18230 1972 1 5 . 1 1 10 10 THR HA H 10 4.075 4.075 4.090 -0.015 18230 1973 1 5 . 1 1 10 10 THR CA C 10 67.311 67.311 66.792 0.519 18230 1974 1 5 . 1 1 10 10 THR CB C 10 67.934 67.934 68.463 -0.529 18230 1975 1 5 . 1 1 10 10 THR H H 10 8.407 8.407 8.163 0.244 18230 1976 1 5 . 1 1 11 11 LEU N N 11 119.765 119.765 121.815 -2.050 18230 1977 1 5 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.084 -0.156 18230 1978 1 5 . 1 1 11 11 LEU C C 11 180.896 180.896 179.225 1.671 18230 1979 1 5 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.380 0.901 18230 1980 1 5 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.305 0.295 18230 1981 1 5 . 1 1 11 11 LEU H H 11 8.131 8.131 8.244 -0.113 18230 1982 1 5 . 1 1 12 12 ILE N N 12 119.540 119.540 120.357 -0.817 18230 1983 1 5 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.788 0.167 18230 1984 1 5 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.793 -0.061 18230 1985 1 5 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.626 1.760 18230 1986 1 5 . 1 1 12 12 ILE H H 12 7.715 7.715 8.463 -0.748 18230 1987 1 5 . 1 1 13 13 ASN N N 13 121.587 121.587 118.697 2.890 18230 1988 1 5 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.539 -0.008 18230 1989 1 5 . 1 1 13 13 ASN C C 13 178.867 178.867 178.210 0.657 18230 1990 1 5 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.236 0.193 18230 1991 1 5 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.270 -0.208 18230 1992 1 5 . 1 1 13 13 ASN H H 13 9.040 9.040 8.464 0.576 18230 1993 1 5 . 1 1 14 14 VAL N N 14 120.603 120.603 118.135 2.468 18230 1994 1 5 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.832 -0.025 18230 1995 1 5 . 1 1 14 14 VAL C C 14 177.113 177.113 177.302 -0.189 18230 1996 1 5 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.163 0.345 18230 1997 1 5 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.370 0.227 18230 1998 1 5 . 1 1 14 14 VAL H H 14 8.954 8.954 8.278 0.676 18230 1999 1 5 . 1 1 15 15 PHE N N 15 117.585 117.585 121.806 -4.221 18230 2000 1 5 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.552 -0.093 18230 2001 1 5 . 1 1 15 15 PHE C C 15 177.257 177.257 176.443 0.814 18230 2002 1 5 . 1 1 15 15 PHE CA C 15 62.576 62.576 62.277 0.299 18230 2003 1 5 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.570 0.482 18230 2004 1 5 . 1 1 15 15 PHE H H 15 6.956 6.956 8.239 -1.283 18230 2005 1 5 . 1 1 16 16 HIS N N 16 115.204 115.204 119.823 -4.619 18230 2006 1 5 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.900 0.939 18230 2007 1 5 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.153 -0.675 18230 2008 1 5 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.582 -0.662 18230 2009 1 5 . 1 1 16 16 HIS H H 16 7.736 7.736 8.568 -0.832 18230 2010 1 5 . 1 1 17 17 ALA N N 17 123.201 123.201 121.707 1.494 18230 2011 1 5 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.777 0.259 18230 2012 1 5 . 1 1 17 17 ALA C C 17 178.867 178.867 179.681 -0.814 18230 2013 1 5 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.970 -0.825 18230 2014 1 5 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.105 -0.444 18230 2015 1 5 . 1 1 17 17 ALA H H 17 8.066 8.066 7.940 0.126 18230 2016 1 5 . 1 1 18 18 HIS N N 18 113.974 113.974 117.202 -3.228 18230 2017 1 5 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.157 0.215 18230 2018 1 5 . 1 1 18 18 HIS C C 18 175.568 175.568 177.782 -2.214 18230 2019 1 5 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.614 -2.201 18230 2020 1 5 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.590 3.163 18230 2021 1 5 . 1 1 18 18 HIS H H 18 7.047 7.047 8.213 -1.165 18230 2022 1 5 . 1 1 19 19 SER N N 19 113.745 113.745 114.516 -0.771 18230 2023 1 5 . 1 1 19 19 SER HA H 19 3.658 3.658 4.038 -0.380 18230 2024 1 5 . 1 1 19 19 SER CA C 19 61.247 61.247 60.519 0.728 18230 2025 1 5 . 1 1 19 19 SER CB C 19 61.323 61.323 62.371 -1.048 18230 2026 1 5 . 1 1 19 19 SER H H 19 8.470 8.470 7.865 0.605 18230 2027 1 5 . 1 1 20 20 GLY N N 20 111.711 111.711 108.403 3.308 18230 2028 1 5 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.640 -0.258 18230 2029 1 5 . 1 1 20 20 GLY H H 20 7.739 7.739 7.433 0.306 18230 2030 1 5 . 1 1 21 21 LYS N N 21 122.328 122.328 120.738 1.590 18230 2031 1 5 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.949 -0.035 18230 2032 1 5 . 1 1 21 21 LYS C C 21 177.192 177.192 176.776 0.416 18230 2033 1 5 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.100 1.236 18230 2034 1 5 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.745 -0.057 18230 2035 1 5 . 1 1 21 21 LYS H H 21 7.200 7.200 7.403 -0.203 18230 2036 1 5 . 1 1 22 22 GLU N N 22 115.975 115.975 117.869 -1.894 18230 2037 1 5 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.323 0.334 18230 2038 1 5 . 1 1 22 22 GLU C C 22 175.882 175.882 175.240 0.642 18230 2039 1 5 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.276 -1.171 18230 2040 1 5 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.121 0.882 18230 2041 1 5 . 1 1 22 22 GLU H H 22 9.369 9.369 7.727 1.642 18230 2042 1 5 . 1 1 23 23 GLY CA C 23 45.836 45.836 44.662 1.174 18230 2043 1 5 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.916 0.360 18230 2044 1 5 . 1 1 25 25 LYS CA C 25 57.980 57.980 59.024 -1.044 18230 2045 1 5 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.379 -1.171 18230 2046 1 5 . 1 1 26 26 TYR N N 26 119.825 119.825 116.093 3.732 18230 2047 1 5 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.781 -0.076 18230 2048 1 5 . 1 1 26 26 TYR C C 26 173.696 173.696 175.038 -1.342 18230 2049 1 5 . 1 1 26 26 TYR CA C 26 56.180 56.180 58.278 -2.098 18230 2050 1 5 . 1 1 26 26 TYR CB C 26 38.049 38.049 38.094 -0.045 18230 2051 1 5 . 1 1 26 26 TYR H H 26 9.414 9.414 8.089 1.325 18230 2052 1 5 . 1 1 27 27 LYS N N 27 114.922 114.922 120.104 -5.182 18230 2053 1 5 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.901 0.219 18230 2054 1 5 . 1 1 27 27 LYS C C 27 174.678 174.678 174.048 0.630 18230 2055 1 5 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.962 0.028 18230 2056 1 5 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.747 2.094 18230 2057 1 5 . 1 1 27 27 LYS H H 27 7.107 7.107 7.912 -0.805 18230 2058 1 5 . 1 1 28 28 LEU N N 28 125.976 125.976 125.874 0.102 18230 2059 1 5 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.929 0.255 18230 2060 1 5 . 1 1 28 28 LEU CA C 28 52.775 52.775 53.123 -0.348 18230 2061 1 5 . 1 1 28 28 LEU CB C 28 43.037 43.037 46.041 -3.004 18230 2062 1 5 . 1 1 28 28 LEU H H 28 9.757 9.757 9.068 0.689 18230 2063 1 5 . 1 1 29 29 SER N N 29 121.025 121.025 119.939 1.086 18230 2064 1 5 . 1 1 29 29 SER HA H 29 4.558 4.558 4.780 -0.222 18230 2065 1 5 . 1 1 29 29 SER C C 29 174.338 174.338 175.273 -0.935 18230 2066 1 5 . 1 1 29 29 SER CA C 29 56.208 56.208 55.989 0.220 18230 2067 1 5 . 1 1 29 29 SER CB C 29 65.480 65.480 65.238 0.242 18230 2068 1 5 . 1 1 29 29 SER H H 29 9.908 9.908 8.196 1.712 18230 2069 1 5 . 1 1 30 30 LYS N N 30 120.385 120.385 126.437 -6.052 18230 2070 1 5 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.907 -0.060 18230 2071 1 5 . 1 1 30 30 LYS C C 30 177.859 177.859 178.401 -0.542 18230 2072 1 5 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.844 0.458 18230 2073 1 5 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.492 -0.481 18230 2074 1 5 . 1 1 30 30 LYS H H 30 8.845 8.845 9.125 -0.280 18230 2075 1 5 . 1 1 31 31 LYS N N 31 118.358 118.358 117.884 0.474 18230 2076 1 5 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.062 -0.161 18230 2077 1 5 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.597 0.016 18230 2078 1 5 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.531 1.468 18230 2079 1 5 . 1 1 31 31 LYS H H 31 7.924 7.924 8.032 -0.108 18230 2080 1 5 . 1 1 32 32 GLU N N 32 119.355 119.355 119.717 -0.362 18230 2081 1 5 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.117 -0.216 18230 2082 1 5 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.310 -0.472 18230 2083 1 5 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.501 1.162 18230 2084 1 5 . 1 1 32 32 GLU H H 32 7.502 7.502 8.197 -0.695 18230 2085 1 5 . 1 1 33 33 LEU N N 33 119.533 119.533 117.468 2.065 18230 2086 1 5 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.030 -0.122 18230 2087 1 5 . 1 1 33 33 LEU C C 33 177.571 177.571 178.635 -1.064 18230 2088 1 5 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.474 -0.699 18230 2089 1 5 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.019 0.470 18230 2090 1 5 . 1 1 33 33 LEU H H 33 9.076 9.076 8.682 0.394 18230 2091 1 5 . 1 1 34 34 LYS N N 34 119.251 119.251 119.523 -0.272 18230 2092 1 5 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.911 -0.265 18230 2093 1 5 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.382 1.201 18230 2094 1 5 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.974 0.091 18230 2095 1 5 . 1 1 34 34 LYS H H 34 8.262 8.262 8.368 -0.106 18230 2096 1 5 . 1 1 35 35 GLU N N 35 117.642 117.642 119.602 -1.960 18230 2097 1 5 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.140 -0.145 18230 2098 1 5 . 1 1 35 35 GLU C C 35 178.776 178.776 178.900 -0.124 18230 2099 1 5 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.108 0.478 18230 2100 1 5 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.869 -0.920 18230 2101 1 5 . 1 1 35 35 GLU H H 35 7.742 7.742 7.829 -0.087 18230 2102 1 5 . 1 1 36 36 LEU N N 36 124.753 124.753 122.403 2.350 18230 2103 1 5 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.020 -0.324 18230 2104 1 5 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.227 2.470 18230 2105 1 5 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.707 0.261 18230 2106 1 5 . 1 1 36 36 LEU H H 36 8.304 8.304 8.219 0.085 18230 2107 1 5 . 1 1 37 37 LEU N N 37 119.058 119.058 117.806 1.252 18230 2108 1 5 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.986 -0.259 18230 2109 1 5 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.012 0.300 18230 2110 1 5 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.748 1.052 18230 2111 1 5 . 1 1 37 37 LEU H H 37 8.684 8.684 8.429 0.255 18230 2112 1 5 . 1 1 38 38 GLN N N 38 114.728 114.728 117.131 -2.403 18230 2113 1 5 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.276 -0.335 18230 2114 1 5 . 1 1 38 38 GLN C C 38 177.584 177.584 178.321 -0.737 18230 2115 1 5 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.612 -0.134 18230 2116 1 5 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.992 0.035 18230 2117 1 5 . 1 1 38 38 GLN H H 38 8.510 8.510 7.666 0.844 18230 2118 1 5 . 1 1 39 39 THR N N 39 110.419 110.419 110.009 0.410 18230 2119 1 5 . 1 1 39 39 THR HA H 39 4.238 4.238 4.173 0.065 18230 2120 1 5 . 1 1 39 39 THR C C 39 176.341 176.341 176.302 0.039 18230 2121 1 5 . 1 1 39 39 THR CA C 39 64.874 64.874 64.621 0.253 18230 2122 1 5 . 1 1 39 39 THR CB C 39 69.919 69.919 69.300 0.619 18230 2123 1 5 . 1 1 39 39 THR H H 39 7.863 7.863 8.005 -0.142 18230 2124 1 5 . 1 1 40 40 GLU N N 40 117.514 117.514 120.201 -2.687 18230 2125 1 5 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.416 0.337 18230 2126 1 5 . 1 1 40 40 GLU C C 40 177.807 177.807 176.750 1.057 18230 2127 1 5 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.488 -1.006 18230 2128 1 5 . 1 1 40 40 GLU CB C 40 31.789 31.789 30.929 0.860 18230 2129 1 5 . 1 1 40 40 GLU H H 40 8.468 8.468 8.180 0.288 18230 2130 1 5 . 1 1 41 41 LEU N N 41 121.141 121.141 120.367 0.774 18230 2131 1 5 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.756 0.257 18230 2132 1 5 . 1 1 41 41 LEU CA C 41 52.830 52.830 53.851 -1.021 18230 2133 1 5 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.512 0.111 18230 2134 1 5 . 1 1 41 41 LEU H H 41 7.682 7.682 8.377 -0.695 18230 2135 1 5 . 1 1 42 42 SER N N 42 116.557 116.557 117.967 -1.410 18230 2136 1 5 . 1 1 42 42 SER HA H 42 4.055 4.055 4.437 -0.382 18230 2137 1 5 . 1 1 42 42 SER C C 42 176.537 176.537 176.460 0.077 18230 2138 1 5 . 1 1 42 42 SER CA C 42 61.552 61.552 59.485 2.067 18230 2139 1 5 . 1 1 42 42 SER CB C 42 62.783 62.783 63.786 -1.004 18230 2140 1 5 . 1 1 42 42 SER H H 42 8.186 8.186 8.868 -0.682 18230 2141 1 5 . 1 1 43 43 GLY N N 43 111.517 111.517 110.915 0.602 18230 2142 1 5 . 1 1 43 43 GLY CA C 43 46.047 46.047 47.001 -0.954 18230 2143 1 5 . 1 1 43 43 GLY H H 43 8.880 8.880 8.786 0.094 18230 2144 1 5 . 1 1 44 44 PHE N N 44 122.405 122.405 119.407 2.998 18230 2145 1 5 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.174 0.183 18230 2146 1 5 . 1 1 44 44 PHE C C 44 176.851 176.851 177.330 -0.479 18230 2147 1 5 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.165 -1.330 18230 2148 1 5 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.573 1.047 18230 2149 1 5 . 1 1 44 44 PHE H H 44 7.972 7.972 8.045 -0.073 18230 2150 1 5 . 1 1 45 45 LEU N N 45 119.444 119.444 118.289 1.155 18230 2151 1 5 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.168 -0.239 18230 2152 1 5 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.892 -0.630 18230 2153 1 5 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.347 0.610 18230 2154 1 5 . 1 1 45 45 LEU H H 45 8.148 8.148 7.742 0.406 18230 2155 1 5 . 1 1 46 46 ASP N N 46 120.023 120.023 120.292 -0.269 18230 2156 1 5 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.351 0.025 18230 2157 1 5 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.491 -0.809 18230 2158 1 5 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.899 -0.111 18230 2159 1 5 . 1 1 46 46 ASP H H 46 8.307 8.307 8.532 -0.225 18230 2160 1 5 . 1 1 47 47 ALA N N 47 121.156 121.156 120.262 0.894 18230 2161 1 5 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.096 0.060 18230 2162 1 5 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.807 -0.894 18230 2163 1 5 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.872 -0.218 18230 2164 1 5 . 1 1 47 47 ALA H H 47 7.606 7.606 7.640 -0.034 18230 2165 1 5 . 1 1 48 48 GLN N N 48 116.408 116.408 118.238 -1.830 18230 2166 1 5 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.414 -0.278 18230 2167 1 5 . 1 1 48 48 GLN C C 48 175.882 175.882 175.898 -0.016 18230 2168 1 5 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.825 0.537 18230 2169 1 5 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.621 -0.139 18230 2170 1 5 . 1 1 48 48 GLN H H 48 7.665 7.665 7.517 0.148 18230 2171 1 5 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.040 0.089 18230 2172 1 5 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.823 -1.117 18230 2173 1 5 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.712 -0.414 18230 2174 1 5 . 1 1 50 50 ASP N N 50 118.824 118.824 119.424 -0.600 18230 2175 1 5 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.633 -0.085 18230 2176 1 5 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.224 -0.259 18230 2177 1 5 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.420 0.615 18230 2178 1 5 . 1 1 50 50 ASP H H 50 7.982 7.982 7.954 0.028 18230 2179 1 5 . 1 1 51 51 VAL N N 51 121.055 121.055 119.375 1.680 18230 2180 1 5 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.869 0.082 18230 2181 1 5 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.873 -1.217 18230 2182 1 5 . 1 1 51 51 VAL CB C 51 32.000 32.000 32.147 -0.146 18230 2183 1 5 . 1 1 51 51 VAL H H 51 8.231 8.231 8.373 -0.142 18230 2184 1 5 . 1 1 52 52 ASP N N 52 121.189 121.189 120.810 0.379 18230 2185 1 5 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.538 0.221 18230 2186 1 5 . 1 1 52 52 ASP C C 52 176.367 176.367 177.484 -1.117 18230 2187 1 5 . 1 1 52 52 ASP CA C 52 53.716 53.716 55.907 -2.191 18230 2188 1 5 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.432 0.967 18230 2189 1 5 . 1 1 52 52 ASP H H 52 8.410 8.410 8.747 -0.337 18230 2190 1 5 . 1 1 53 53 ALA N N 53 123.582 123.582 123.558 0.024 18230 2191 1 5 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.032 -0.100 18230 2192 1 5 . 1 1 53 53 ALA C C 53 179.208 179.208 178.896 0.312 18230 2193 1 5 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.163 0.104 18230 2194 1 5 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.448 0.709 18230 2195 1 5 . 1 1 53 53 ALA H H 53 7.755 7.755 7.487 0.268 18230 2196 1 5 . 1 1 54 54 VAL N N 54 116.235 116.235 118.477 -2.242 18230 2197 1 5 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.744 -0.289 18230 2198 1 5 . 1 1 54 54 VAL C C 54 176.432 176.432 176.713 -0.281 18230 2199 1 5 . 1 1 54 54 VAL CA C 54 66.244 66.244 65.847 0.398 18230 2200 1 5 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.135 -0.371 18230 2201 1 5 . 1 1 54 54 VAL H H 54 8.300 8.300 7.571 0.729 18230 2202 1 5 . 1 1 55 55 ASP N N 55 120.594 120.594 119.588 1.006 18230 2203 1 5 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.355 -0.200 18230 2204 1 5 . 1 1 55 55 ASP CA C 55 57.584 57.584 58.012 -0.428 18230 2205 1 5 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.084 0.746 18230 2206 1 5 . 1 1 55 55 ASP H H 55 7.684 7.684 7.603 0.081 18230 2207 1 5 . 1 1 56 56 LYS N N 56 119.178 119.178 120.132 -0.954 18230 2208 1 5 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.048 -0.120 18230 2209 1 5 . 1 1 56 56 LYS C C 56 178.697 178.697 179.290 -0.593 18230 2210 1 5 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.408 0.095 18230 2211 1 5 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.536 -0.246 18230 2212 1 5 . 1 1 56 56 LYS H H 56 7.638 7.638 8.023 -0.385 18230 2213 1 5 . 1 1 57 57 VAL N N 57 119.870 119.870 119.206 0.664 18230 2214 1 5 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.783 -0.059 18230 2215 1 5 . 1 1 57 57 VAL C C 57 177.558 177.558 178.388 -0.830 18230 2216 1 5 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.474 -0.548 18230 2217 1 5 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.690 -0.543 18230 2218 1 5 . 1 1 57 57 VAL H H 57 7.928 7.928 8.191 -0.263 18230 2219 1 5 . 1 1 58 58 MET N N 58 118.736 118.736 118.480 0.256 18230 2220 1 5 . 1 1 58 58 MET HA H 58 3.928 3.928 4.222 -0.294 18230 2221 1 5 . 1 1 58 58 MET C C 58 177.021 177.021 177.872 -0.851 18230 2222 1 5 . 1 1 58 58 MET CA C 58 58.534 58.534 58.718 -0.184 18230 2223 1 5 . 1 1 58 58 MET CB C 58 32.065 32.065 32.198 -0.133 18230 2224 1 5 . 1 1 58 58 MET H H 58 8.443 8.443 8.481 -0.038 18230 2225 1 5 . 1 1 59 59 LYS N N 59 116.214 116.214 119.019 -2.805 18230 2226 1 5 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.963 0.005 18230 2227 1 5 . 1 1 59 59 LYS C C 59 178.893 178.893 178.469 0.424 18230 2228 1 5 . 1 1 59 59 LYS CA C 59 58.866 58.866 58.907 -0.041 18230 2229 1 5 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.736 0.328 18230 2230 1 5 . 1 1 59 59 LYS H H 59 7.629 7.629 8.177 -0.548 18230 2231 1 5 . 1 1 60 60 GLU N N 60 117.288 117.288 116.843 0.445 18230 2232 1 5 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.147 -0.112 18230 2233 1 5 . 1 1 60 60 GLU C C 60 178.173 178.173 178.479 -0.306 18230 2234 1 5 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.327 -0.098 18230 2235 1 5 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.564 0.242 18230 2236 1 5 . 1 1 60 60 GLU H H 60 7.599 7.599 7.517 0.082 18230 2237 1 5 . 1 1 61 61 LEU N N 61 116.163 116.163 118.870 -2.707 18230 2238 1 5 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.170 0.200 18230 2239 1 5 . 1 1 61 61 LEU C C 61 178.893 178.893 178.213 0.680 18230 2240 1 5 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.445 -1.206 18230 2241 1 5 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.206 1.735 18230 2242 1 5 . 1 1 61 61 LEU H H 61 8.060 8.060 7.217 0.843 18230 2243 1 5 . 1 1 62 62 ASP N N 62 116.934 116.934 118.606 -1.672 18230 2244 1 5 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.923 -0.257 18230 2245 1 5 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.703 -0.458 18230 2246 1 5 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.429 -0.420 18230 2247 1 5 . 1 1 62 62 ASP H H 62 8.012 8.012 8.135 -0.123 18230 2248 1 5 . 1 1 63 63 GLU N N 63 129.388 129.388 124.052 5.336 18230 2249 1 5 . 1 1 63 63 GLU HA H 63 4.022 4.022 3.987 0.035 18230 2250 1 5 . 1 1 63 63 GLU C C 63 177.519 177.519 177.895 -0.376 18230 2251 1 5 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.751 -0.079 18230 2252 1 5 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.897 0.610 18230 2253 1 5 . 1 1 63 63 GLU H H 63 8.356 8.356 8.657 -0.301 18230 2254 1 5 . 1 1 64 64 ASN N N 64 112.751 112.751 116.616 -3.865 18230 2255 1 5 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.512 0.221 18230 2256 1 5 . 1 1 64 64 ASN C C 64 176.498 176.498 176.300 0.198 18230 2257 1 5 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.327 -2.438 18230 2258 1 5 . 1 1 64 64 ASN CB C 64 37.172 37.172 39.162 -1.990 18230 2259 1 5 . 1 1 64 64 ASN H H 64 7.997 7.997 7.816 0.181 18230 2260 1 5 . 1 1 65 65 GLY N N 65 109.265 109.265 107.827 1.438 18230 2261 1 5 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.417 1.986 18230 2262 1 5 . 1 1 65 65 GLY H H 65 7.552 7.552 8.372 -0.820 18230 2263 1 5 . 1 1 66 66 ASP N N 66 119.331 119.331 121.042 -1.711 18230 2264 1 5 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.601 -0.069 18230 2265 1 5 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.945 0.245 18230 2266 1 5 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.799 -0.556 18230 2267 1 5 . 1 1 66 66 ASP H H 66 8.124 8.124 8.185 -0.061 18230 2268 1 5 . 1 1 67 67 GLY N N 67 113.348 113.348 108.808 4.540 18230 2269 1 5 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.656 -0.052 18230 2270 1 5 . 1 1 67 67 GLY H H 67 10.285 10.285 9.208 1.077 18230 2271 1 5 . 1 1 68 68 GLU N N 68 117.060 117.060 118.510 -1.450 18230 2272 1 5 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.808 -0.007 18230 2273 1 5 . 1 1 68 68 GLU C C 68 175.176 175.176 174.826 0.350 18230 2274 1 5 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.770 -0.260 18230 2275 1 5 . 1 1 68 68 GLU CB C 68 36.223 36.223 33.097 3.126 18230 2276 1 5 . 1 1 68 68 GLU H H 68 7.732 7.732 8.859 -1.127 18230 2277 1 5 . 1 1 69 69 VAL N N 69 125.264 125.264 120.950 4.314 18230 2278 1 5 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.673 0.568 18230 2279 1 5 . 1 1 69 69 VAL C C 69 175.961 175.961 175.317 0.644 18230 2280 1 5 . 1 1 69 69 VAL CA C 69 61.144 61.144 61.289 -0.145 18230 2281 1 5 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.201 0.484 18230 2282 1 5 . 1 1 69 69 VAL H H 69 9.392 9.392 8.932 0.460 18230 2283 1 5 . 1 1 70 70 ASP N N 70 129.378 129.378 125.494 3.884 18230 2284 1 5 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.973 0.188 18230 2285 1 5 . 1 1 70 70 ASP C C 70 175.032 175.032 176.915 -1.883 18230 2286 1 5 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.021 0.394 18230 2287 1 5 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.586 -1.746 18230 2288 1 5 . 1 1 70 70 ASP H H 70 9.112 9.112 9.037 0.075 18230 2289 1 5 . 1 1 71 71 PHE N N 71 118.452 118.452 123.659 -5.207 18230 2290 1 5 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.032 -0.119 18230 2291 1 5 . 1 1 71 71 PHE C C 71 176.576 176.576 176.808 -0.232 18230 2292 1 5 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.443 2.991 18230 2293 1 5 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.974 0.257 18230 2294 1 5 . 1 1 71 71 PHE H H 71 8.948 8.948 8.958 -0.010 18230 2295 1 5 . 1 1 72 72 GLN N N 72 116.934 116.934 117.768 -0.834 18230 2296 1 5 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.834 -0.146 18230 2297 1 5 . 1 1 72 72 GLN C C 72 178.056 178.056 178.241 -0.185 18230 2298 1 5 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.772 -0.179 18230 2299 1 5 . 1 1 72 72 GLN CB C 72 28.164 28.164 27.886 0.278 18230 2300 1 5 . 1 1 72 72 GLN H H 72 8.012 8.012 8.693 -0.681 18230 2301 1 5 . 1 1 73 73 GLU N N 73 120.208 120.208 120.688 -0.480 18230 2302 1 5 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.047 0.019 18230 2303 1 5 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.705 -1.199 18230 2304 1 5 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.380 0.737 18230 2305 1 5 . 1 1 73 73 GLU H H 73 8.308 8.308 7.739 0.569 18230 2306 1 5 . 1 1 74 74 TYR N N 74 121.623 121.623 121.536 0.087 18230 2307 1 5 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.194 -0.105 18230 2308 1 5 . 1 1 74 74 TYR C C 74 176.485 176.485 177.552 -1.067 18230 2309 1 5 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.752 -2.277 18230 2310 1 5 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.767 -0.761 18230 2311 1 5 . 1 1 74 74 TYR H H 74 8.339 8.339 8.689 -0.350 18230 2312 1 5 . 1 1 75 75 VAL N N 75 120.827 120.827 119.436 1.391 18230 2313 1 5 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.591 -0.717 18230 2314 1 5 . 1 1 75 75 VAL C C 75 176.563 176.563 177.606 -1.043 18230 2315 1 5 . 1 1 75 75 VAL CA C 75 66.354 66.354 67.102 -0.748 18230 2316 1 5 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.963 -1.312 18230 2317 1 5 . 1 1 75 75 VAL H H 75 8.088 8.088 8.384 -0.296 18230 2318 1 5 . 1 1 76 76 VAL N N 76 120.216 120.216 118.161 2.055 18230 2319 1 5 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.668 -0.253 18230 2320 1 5 . 1 1 76 76 VAL C C 76 178.645 178.645 177.288 1.357 18230 2321 1 5 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.312 0.546 18230 2322 1 5 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.235 0.065 18230 2323 1 5 . 1 1 76 76 VAL H H 76 7.132 7.132 7.974 -0.842 18230 2324 1 5 . 1 1 77 77 LEU N N 77 120.900 120.900 121.618 -0.718 18230 2325 1 5 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.937 0.091 18230 2326 1 5 . 1 1 77 77 LEU C C 77 177.362 177.362 178.296 -0.934 18230 2327 1 5 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.259 -0.584 18230 2328 1 5 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.459 -0.904 18230 2329 1 5 . 1 1 77 77 LEU H H 77 6.860 6.860 7.879 -1.019 18230 2330 1 5 . 1 1 78 78 VAL N N 78 116.991 116.991 116.634 0.357 18230 2331 1 5 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.533 -0.410 18230 2332 1 5 . 1 1 78 78 VAL C C 78 179.142 179.142 177.697 1.445 18230 2333 1 5 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.146 1.682 18230 2334 1 5 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.267 1.034 18230 2335 1 5 . 1 1 78 78 VAL H H 78 7.519 7.519 7.927 -0.408 18230 2336 1 5 . 1 1 79 79 ALA N N 79 124.679 124.679 123.301 1.378 18230 2337 1 5 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.027 -0.340 18230 2338 1 5 . 1 1 79 79 ALA C C 79 178.213 178.213 178.986 -0.773 18230 2339 1 5 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.951 1.057 18230 2340 1 5 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.159 -0.342 18230 2341 1 5 . 1 1 79 79 ALA H H 79 8.964 8.964 8.132 0.833 18230 2342 1 5 . 1 1 80 80 ALA N N 80 120.376 120.376 121.433 -1.057 18230 2343 1 5 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.066 -0.032 18230 2344 1 5 . 1 1 80 80 ALA C C 80 181.852 181.852 179.655 2.197 18230 2345 1 5 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.980 0.303 18230 2346 1 5 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.335 -0.536 18230 2347 1 5 . 1 1 80 80 ALA H H 80 7.794 7.794 8.375 -0.581 18230 2348 1 5 . 1 1 81 81 LEU N N 81 119.275 119.275 118.521 0.754 18230 2349 1 5 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.005 0.035 18230 2350 1 5 . 1 1 81 81 LEU C C 81 179.168 179.168 179.379 -0.211 18230 2351 1 5 . 1 1 81 81 LEU CA C 81 57.345 57.345 58.240 -0.895 18230 2352 1 5 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.204 0.441 18230 2353 1 5 . 1 1 81 81 LEU H H 81 8.494 8.494 8.275 0.219 18230 2354 1 5 . 1 1 82 82 THR N N 82 119.781 119.781 116.542 3.239 18230 2355 1 5 . 1 1 82 82 THR HA H 82 3.800 3.800 3.906 -0.106 18230 2356 1 5 . 1 1 82 82 THR CA C 82 68.473 68.473 67.191 1.282 18230 2357 1 5 . 1 1 82 82 THR CB C 82 67.796 67.796 68.602 -0.806 18230 2358 1 5 . 1 1 82 82 THR H H 82 8.418 8.418 7.914 0.504 18230 2359 1 5 . 1 1 83 83 VAL N N 83 122.419 122.419 122.022 0.397 18230 2360 1 5 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.794 -0.092 18230 2361 1 5 . 1 1 83 83 VAL C C 83 177.781 177.781 177.349 0.432 18230 2362 1 5 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.304 2.007 18230 2363 1 5 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.112 0.563 18230 2364 1 5 . 1 1 83 83 VAL H H 83 8.164 8.164 8.190 -0.026 18230 2365 1 5 . 1 1 84 84 ALA N N 84 121.470 121.470 122.249 -0.779 18230 2366 1 5 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.332 -0.184 18230 2367 1 5 . 1 1 84 84 ALA C C 84 180.032 180.032 179.890 0.142 18230 2368 1 5 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.027 0.078 18230 2369 1 5 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.800 -0.002 18230 2370 1 5 . 1 1 84 84 ALA H H 84 7.877 7.877 8.333 -0.456 18230 2371 1 5 . 1 1 85 85 CYS N N 85 117.473 117.473 119.338 -1.865 18230 2372 1 5 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.324 0.100 18230 2373 1 5 . 1 1 85 85 CYS C C 85 176.092 176.092 176.779 -0.687 18230 2374 1 5 . 1 1 85 85 CYS CA C 85 57.980 57.980 62.727 -4.747 18230 2375 1 5 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.201 14.354 18230 2376 1 5 . 1 1 85 85 CYS H H 85 8.370 8.370 8.251 0.119 18230 2377 1 5 . 1 1 86 86 ASN N N 86 119.886 119.886 119.011 0.875 18230 2378 1 5 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.459 -0.223 18230 2379 1 5 . 1 1 86 86 ASN CA C 86 57.260 57.260 57.236 0.024 18230 2380 1 5 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.517 1.161 18230 2381 1 5 . 1 1 87 87 ASN N N 87 117.136 117.136 118.747 -1.611 18230 2382 1 5 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.516 -0.116 18230 2383 1 5 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.457 -1.425 18230 2384 1 5 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.481 -0.652 18230 2385 1 5 . 1 1 87 87 ASN H H 87 8.136 8.136 8.382 -0.246 18230 2386 1 5 . 1 1 88 88 PHE N N 88 119.001 119.001 122.305 -3.304 18230 2387 1 5 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.205 0.085 18230 2388 1 5 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.636 -1.939 18230 2389 1 5 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.279 -0.073 18230 2390 1 5 . 1 1 88 88 PHE H H 88 7.865 7.865 8.314 -0.449 18230 2391 1 5 . 1 1 89 89 PHE N N 89 118.050 118.050 120.053 -2.003 18230 2392 1 5 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.187 0.023 18230 2393 1 5 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.718 -2.218 18230 2394 1 5 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.651 -0.164 18230 2395 1 5 . 1 1 89 89 PHE H H 89 7.924 7.924 8.667 -0.743 18230 2396 1 5 . 1 1 90 90 TRP N N 90 119.104 119.104 121.385 -2.281 18230 2397 1 5 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.311 0.165 18230 2398 1 5 . 1 1 90 90 TRP CA C 90 57.688 57.688 60.572 -2.884 18230 2399 1 5 . 1 1 90 90 TRP CB C 90 29.494 29.494 29.641 -0.147 18230 2400 1 5 . 1 1 90 90 TRP H H 90 7.848 7.848 8.795 -0.947 18230 2401 1 5 . 1 1 91 91 GLU N N 91 120.457 120.457 118.796 1.661 18230 2402 1 5 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.241 -0.112 18230 2403 1 5 . 1 1 91 91 GLU CA C 91 57.039 57.039 58.181 -1.142 18230 2404 1 5 . 1 1 91 91 GLU CB C 91 30.033 30.033 30.142 -0.109 18230 2405 1 5 . 1 1 91 91 GLU H H 91 7.816 7.816 8.143 -0.327 18230 2406 1 5 . 1 1 92 92 ASN N N 92 125.418 125.418 118.329 7.089 18230 2407 1 5 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.497 -0.087 18230 2408 1 5 . 1 1 92 92 ASN CA C 92 54.731 54.731 52.759 1.972 18230 2409 1 5 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.350 2.724 18230 2410 1 5 . 1 1 92 92 ASN H H 92 7.846 7.846 7.691 0.155 18230 2411 1 6 . 1 1 2 2 SER HA H 2 4.757 4.757 4.386 0.371 18230 2412 1 6 . 1 1 2 2 SER CA C 2 57.482 57.482 57.824 -0.342 18230 2413 1 6 . 1 1 2 2 SER CB C 2 64.893 64.893 64.475 0.418 18230 2414 1 6 . 1 1 3 3 GLU N N 3 123.948 123.948 122.954 0.994 18230 2415 1 6 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.090 0.035 18230 2416 1 6 . 1 1 3 3 GLU C C 3 179.443 179.443 179.290 0.153 18230 2417 1 6 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.643 0.657 18230 2418 1 6 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.607 -0.035 18230 2419 1 6 . 1 1 3 3 GLU H H 3 9.442 9.442 8.884 0.558 18230 2420 1 6 . 1 1 4 4 LEU N N 4 120.236 120.236 119.241 0.995 18230 2421 1 6 . 1 1 4 4 LEU HA H 4 4.075 4.075 3.976 0.099 18230 2422 1 6 . 1 1 4 4 LEU CA C 4 58.091 58.091 58.001 0.090 18230 2423 1 6 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.489 1.014 18230 2424 1 6 . 1 1 4 4 LEU H H 4 8.907 8.907 8.148 0.759 18230 2425 1 6 . 1 1 5 5 GLU N N 5 119.034 119.034 117.620 1.414 18230 2426 1 6 . 1 1 5 5 GLU HA H 5 3.968 3.968 3.971 -0.003 18230 2427 1 6 . 1 1 5 5 GLU C C 5 179.234 179.234 178.478 0.756 18230 2428 1 6 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.774 0.366 18230 2429 1 6 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.108 0.308 18230 2430 1 6 . 1 1 5 5 GLU H H 5 8.296 8.296 8.346 -0.050 18230 2431 1 6 . 1 1 6 6 THR N N 6 116.586 116.586 116.680 -0.094 18230 2432 1 6 . 1 1 6 6 THR HA H 6 4.008 4.008 4.049 -0.041 18230 2433 1 6 . 1 1 6 6 THR CA C 6 66.397 66.397 66.606 -0.209 18230 2434 1 6 . 1 1 6 6 THR CB C 6 68.595 68.595 68.397 0.198 18230 2435 1 6 . 1 1 6 6 THR H H 6 8.282 8.282 7.916 0.366 18230 2436 1 6 . 1 1 7 7 ALA N N 7 126.275 126.275 125.289 0.986 18230 2437 1 6 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.144 0.039 18230 2438 1 6 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.091 0.522 18230 2439 1 6 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.168 -0.228 18230 2440 1 6 . 1 1 7 7 ALA H H 7 8.141 8.141 8.198 -0.057 18230 2441 1 6 . 1 1 8 8 MET N N 8 117.071 117.071 118.116 -1.045 18230 2442 1 6 . 1 1 8 8 MET HA H 8 3.834 3.834 4.000 -0.166 18230 2443 1 6 . 1 1 8 8 MET C C 8 177.846 177.846 178.835 -0.989 18230 2444 1 6 . 1 1 8 8 MET CA C 8 60.757 60.757 59.707 1.050 18230 2445 1 6 . 1 1 8 8 MET CB C 8 34.012 34.012 32.520 1.492 18230 2446 1 6 . 1 1 8 8 MET H H 8 8.269 8.269 8.262 0.007 18230 2447 1 6 . 1 1 9 9 GLU N N 9 117.667 117.667 118.808 -1.141 18230 2448 1 6 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.050 -0.122 18230 2449 1 6 . 1 1 9 9 GLU C C 9 178.933 178.933 179.192 -0.259 18230 2450 1 6 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.838 0.025 18230 2451 1 6 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.473 -0.212 18230 2452 1 6 . 1 1 9 9 GLU H H 9 8.105 8.105 8.647 -0.542 18230 2453 1 6 . 1 1 10 10 THR N N 10 118.326 118.326 117.678 0.648 18230 2454 1 6 . 1 1 10 10 THR HA H 10 4.075 4.075 4.096 -0.021 18230 2455 1 6 . 1 1 10 10 THR CA C 10 67.311 67.311 66.816 0.495 18230 2456 1 6 . 1 1 10 10 THR CB C 10 67.934 67.934 68.487 -0.553 18230 2457 1 6 . 1 1 10 10 THR H H 10 8.407 8.407 8.193 0.214 18230 2458 1 6 . 1 1 11 11 LEU N N 11 119.765 119.765 121.878 -2.113 18230 2459 1 6 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.109 -0.181 18230 2460 1 6 . 1 1 11 11 LEU C C 11 180.896 180.896 179.269 1.627 18230 2461 1 6 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.398 0.883 18230 2462 1 6 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.324 0.276 18230 2463 1 6 . 1 1 11 11 LEU H H 11 8.131 8.131 8.337 -0.206 18230 2464 1 6 . 1 1 12 12 ILE N N 12 119.540 119.540 120.402 -0.862 18230 2465 1 6 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.820 0.135 18230 2466 1 6 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.846 -0.114 18230 2467 1 6 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.652 1.734 18230 2468 1 6 . 1 1 12 12 ILE H H 12 7.715 7.715 8.477 -0.762 18230 2469 1 6 . 1 1 13 13 ASN N N 13 121.587 121.587 118.599 2.988 18230 2470 1 6 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.571 -0.040 18230 2471 1 6 . 1 1 13 13 ASN C C 13 178.867 178.867 178.233 0.634 18230 2472 1 6 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.213 0.216 18230 2473 1 6 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.082 -0.020 18230 2474 1 6 . 1 1 13 13 ASN H H 13 9.040 9.040 8.609 0.431 18230 2475 1 6 . 1 1 14 14 VAL N N 14 120.603 120.603 118.399 2.204 18230 2476 1 6 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.851 -0.044 18230 2477 1 6 . 1 1 14 14 VAL C C 14 177.113 177.113 177.281 -0.168 18230 2478 1 6 . 1 1 14 14 VAL CA C 14 66.508 66.508 65.402 1.106 18230 2479 1 6 . 1 1 14 14 VAL CB C 14 31.597 31.597 30.516 1.081 18230 2480 1 6 . 1 1 14 14 VAL H H 14 8.954 8.954 8.427 0.527 18230 2481 1 6 . 1 1 15 15 PHE N N 15 117.585 117.585 122.757 -5.172 18230 2482 1 6 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.629 -0.170 18230 2483 1 6 . 1 1 15 15 PHE C C 15 177.257 177.257 176.528 0.729 18230 2484 1 6 . 1 1 15 15 PHE CA C 15 62.576 62.576 62.323 0.253 18230 2485 1 6 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.405 0.647 18230 2486 1 6 . 1 1 15 15 PHE H H 15 6.956 6.956 8.363 -1.407 18230 2487 1 6 . 1 1 16 16 HIS N N 16 115.204 115.204 120.028 -4.824 18230 2488 1 6 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.923 0.916 18230 2489 1 6 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.145 -0.667 18230 2490 1 6 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.656 -0.736 18230 2491 1 6 . 1 1 16 16 HIS H H 16 7.736 7.736 8.523 -0.787 18230 2492 1 6 . 1 1 17 17 ALA N N 17 123.201 123.201 121.683 1.518 18230 2493 1 6 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.800 0.236 18230 2494 1 6 . 1 1 17 17 ALA C C 17 178.867 178.867 179.219 -0.352 18230 2495 1 6 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.987 -0.842 18230 2496 1 6 . 1 1 17 17 ALA CB C 17 17.661 17.661 17.752 -0.091 18230 2497 1 6 . 1 1 17 17 ALA H H 17 8.066 8.066 8.006 0.060 18230 2498 1 6 . 1 1 18 18 HIS N N 18 113.974 113.974 118.095 -4.121 18230 2499 1 6 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.055 0.317 18230 2500 1 6 . 1 1 18 18 HIS C C 18 175.568 175.568 177.005 -1.437 18230 2501 1 6 . 1 1 18 18 HIS CA C 18 57.413 57.413 58.882 -1.468 18230 2502 1 6 . 1 1 18 18 HIS CB C 18 32.753 32.753 30.246 2.507 18230 2503 1 6 . 1 1 18 18 HIS H H 18 7.047 7.047 8.169 -1.122 18230 2504 1 6 . 1 1 19 19 SER N N 19 113.745 113.745 114.852 -1.107 18230 2505 1 6 . 1 1 19 19 SER HA H 19 3.658 3.658 3.689 -0.031 18230 2506 1 6 . 1 1 19 19 SER CA C 19 61.247 61.247 61.097 0.150 18230 2507 1 6 . 1 1 19 19 SER CB C 19 61.323 61.323 62.040 -0.717 18230 2508 1 6 . 1 1 19 19 SER H H 19 8.470 8.470 8.008 0.462 18230 2509 1 6 . 1 1 20 20 GLY N N 20 111.711 111.711 109.133 2.578 18230 2510 1 6 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.951 -0.569 18230 2511 1 6 . 1 1 20 20 GLY H H 20 7.739 7.739 7.541 0.198 18230 2512 1 6 . 1 1 21 21 LYS N N 21 122.328 122.328 120.892 1.436 18230 2513 1 6 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.923 -0.009 18230 2514 1 6 . 1 1 21 21 LYS C C 21 177.192 177.192 176.859 0.333 18230 2515 1 6 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.131 1.206 18230 2516 1 6 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.777 -0.089 18230 2517 1 6 . 1 1 21 21 LYS H H 21 7.200 7.200 7.426 -0.226 18230 2518 1 6 . 1 1 22 22 GLU N N 22 115.975 115.975 117.935 -1.960 18230 2519 1 6 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.313 0.344 18230 2520 1 6 . 1 1 22 22 GLU C C 22 175.882 175.882 175.694 0.188 18230 2521 1 6 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.297 -1.194 18230 2522 1 6 . 1 1 22 22 GLU CB C 22 33.003 33.003 31.949 1.054 18230 2523 1 6 . 1 1 22 22 GLU H H 22 9.369 9.369 7.616 1.753 18230 2524 1 6 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.090 0.746 18230 2525 1 6 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.966 0.310 18230 2526 1 6 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.306 -0.326 18230 2527 1 6 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.329 -1.121 18230 2528 1 6 . 1 1 26 26 TYR N N 26 119.825 119.825 114.430 5.395 18230 2529 1 6 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.694 0.011 18230 2530 1 6 . 1 1 26 26 TYR C C 26 173.696 173.696 174.833 -1.137 18230 2531 1 6 . 1 1 26 26 TYR CA C 26 56.180 56.180 58.157 -1.977 18230 2532 1 6 . 1 1 26 26 TYR CB C 26 38.049 38.049 38.571 -0.522 18230 2533 1 6 . 1 1 26 26 TYR H H 26 9.414 9.414 7.817 1.597 18230 2534 1 6 . 1 1 27 27 LYS N N 27 114.922 114.922 119.600 -4.678 18230 2535 1 6 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.808 0.312 18230 2536 1 6 . 1 1 27 27 LYS C C 27 174.678 174.678 173.985 0.693 18230 2537 1 6 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.901 0.089 18230 2538 1 6 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.943 1.899 18230 2539 1 6 . 1 1 27 27 LYS H H 27 7.107 7.107 7.768 -0.661 18230 2540 1 6 . 1 1 28 28 LEU N N 28 125.976 125.976 124.535 1.441 18230 2541 1 6 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.631 0.553 18230 2542 1 6 . 1 1 28 28 LEU CA C 28 52.775 52.775 53.566 -0.791 18230 2543 1 6 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.483 -2.446 18230 2544 1 6 . 1 1 28 28 LEU H H 28 9.757 9.757 8.938 0.819 18230 2545 1 6 . 1 1 29 29 SER N N 29 121.025 121.025 119.415 1.610 18230 2546 1 6 . 1 1 29 29 SER HA H 29 4.558 4.558 4.798 -0.240 18230 2547 1 6 . 1 1 29 29 SER C C 29 174.338 174.338 175.074 -0.736 18230 2548 1 6 . 1 1 29 29 SER CA C 29 56.208 56.208 55.819 0.389 18230 2549 1 6 . 1 1 29 29 SER CB C 29 65.480 65.480 64.643 0.837 18230 2550 1 6 . 1 1 29 29 SER H H 29 9.908 9.908 8.156 1.752 18230 2551 1 6 . 1 1 30 30 LYS N N 30 120.385 120.385 126.847 -6.462 18230 2552 1 6 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.950 -0.103 18230 2553 1 6 . 1 1 30 30 LYS C C 30 177.859 177.859 178.389 -0.530 18230 2554 1 6 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.718 0.584 18230 2555 1 6 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.509 -0.498 18230 2556 1 6 . 1 1 30 30 LYS H H 30 8.845 8.845 9.170 -0.325 18230 2557 1 6 . 1 1 31 31 LYS N N 31 118.358 118.358 117.941 0.417 18230 2558 1 6 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.074 -0.173 18230 2559 1 6 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.624 -0.012 18230 2560 1 6 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.538 1.461 18230 2561 1 6 . 1 1 31 31 LYS H H 31 7.924 7.924 8.100 -0.176 18230 2562 1 6 . 1 1 32 32 GLU N N 32 119.355 119.355 119.689 -0.334 18230 2563 1 6 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.256 -0.355 18230 2564 1 6 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.412 -0.574 18230 2565 1 6 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.503 1.160 18230 2566 1 6 . 1 1 32 32 GLU H H 32 7.502 7.502 8.221 -0.719 18230 2567 1 6 . 1 1 33 33 LEU N N 33 119.533 119.533 117.586 1.947 18230 2568 1 6 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.019 -0.111 18230 2569 1 6 . 1 1 33 33 LEU C C 33 177.571 177.571 178.582 -1.011 18230 2570 1 6 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.471 -0.696 18230 2571 1 6 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.102 0.387 18230 2572 1 6 . 1 1 33 33 LEU H H 33 9.076 9.076 8.794 0.282 18230 2573 1 6 . 1 1 34 34 LYS N N 34 119.251 119.251 119.570 -0.319 18230 2574 1 6 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.897 -0.251 18230 2575 1 6 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.372 1.211 18230 2576 1 6 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.940 0.125 18230 2577 1 6 . 1 1 34 34 LYS H H 34 8.262 8.262 8.444 -0.182 18230 2578 1 6 . 1 1 35 35 GLU N N 35 117.642 117.642 119.514 -1.872 18230 2579 1 6 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.063 -0.068 18230 2580 1 6 . 1 1 35 35 GLU C C 35 178.776 178.776 178.792 -0.016 18230 2581 1 6 . 1 1 35 35 GLU CA C 35 59.586 59.586 58.999 0.586 18230 2582 1 6 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.706 -0.757 18230 2583 1 6 . 1 1 35 35 GLU H H 35 7.742 7.742 7.820 -0.078 18230 2584 1 6 . 1 1 36 36 LEU N N 36 124.753 124.753 122.301 2.452 18230 2585 1 6 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.810 -1.114 18230 2586 1 6 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.445 2.252 18230 2587 1 6 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.665 0.303 18230 2588 1 6 . 1 1 36 36 LEU H H 36 8.304 8.304 7.739 0.565 18230 2589 1 6 . 1 1 37 37 LEU N N 37 119.058 119.058 117.891 1.167 18230 2590 1 6 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.964 -0.237 18230 2591 1 6 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.102 0.210 18230 2592 1 6 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.848 0.952 18230 2593 1 6 . 1 1 37 37 LEU H H 37 8.684 8.684 8.301 0.383 18230 2594 1 6 . 1 1 38 38 GLN N N 38 114.728 114.728 116.432 -1.704 18230 2595 1 6 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.218 -0.277 18230 2596 1 6 . 1 1 38 38 GLN C C 38 177.584 177.584 178.109 -0.525 18230 2597 1 6 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.509 -0.031 18230 2598 1 6 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.760 0.267 18230 2599 1 6 . 1 1 38 38 GLN H H 38 8.510 8.510 7.647 0.863 18230 2600 1 6 . 1 1 39 39 THR N N 39 110.419 110.419 110.029 0.390 18230 2601 1 6 . 1 1 39 39 THR HA H 39 4.238 4.238 4.174 0.064 18230 2602 1 6 . 1 1 39 39 THR C C 39 176.341 176.341 175.671 0.670 18230 2603 1 6 . 1 1 39 39 THR CA C 39 64.874 64.874 64.585 0.289 18230 2604 1 6 . 1 1 39 39 THR CB C 39 69.919 69.919 69.101 0.818 18230 2605 1 6 . 1 1 39 39 THR H H 39 7.863 7.863 7.876 -0.013 18230 2606 1 6 . 1 1 40 40 GLU N N 40 117.514 117.514 120.168 -2.654 18230 2607 1 6 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.492 0.261 18230 2608 1 6 . 1 1 40 40 GLU C C 40 177.807 177.807 176.836 0.971 18230 2609 1 6 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.188 -0.706 18230 2610 1 6 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.185 0.604 18230 2611 1 6 . 1 1 40 40 GLU H H 40 8.468 8.468 8.186 0.282 18230 2612 1 6 . 1 1 41 41 LEU N N 41 121.141 121.141 120.881 0.260 18230 2613 1 6 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.706 0.307 18230 2614 1 6 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.072 -1.242 18230 2615 1 6 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.085 0.538 18230 2616 1 6 . 1 1 41 41 LEU H H 41 7.682 7.682 8.143 -0.461 18230 2617 1 6 . 1 1 42 42 SER N N 42 116.557 116.557 118.004 -1.447 18230 2618 1 6 . 1 1 42 42 SER HA H 42 4.055 4.055 4.483 -0.428 18230 2619 1 6 . 1 1 42 42 SER C C 42 176.537 176.537 176.563 -0.026 18230 2620 1 6 . 1 1 42 42 SER CA C 42 61.552 61.552 59.131 2.421 18230 2621 1 6 . 1 1 42 42 SER CB C 42 62.783 62.783 64.085 -1.302 18230 2622 1 6 . 1 1 42 42 SER H H 42 8.186 8.186 8.750 -0.564 18230 2623 1 6 . 1 1 43 43 GLY N N 43 111.517 111.517 110.717 0.800 18230 2624 1 6 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.804 -0.757 18230 2625 1 6 . 1 1 43 43 GLY H H 43 8.880 8.880 8.753 0.127 18230 2626 1 6 . 1 1 44 44 PHE N N 44 122.405 122.405 119.436 2.969 18230 2627 1 6 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.199 0.158 18230 2628 1 6 . 1 1 44 44 PHE C C 44 176.851 176.851 177.184 -0.333 18230 2629 1 6 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.243 -1.408 18230 2630 1 6 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.479 1.141 18230 2631 1 6 . 1 1 44 44 PHE H H 44 7.972 7.972 7.972 -0.000 18230 2632 1 6 . 1 1 45 45 LEU N N 45 119.444 119.444 118.633 0.811 18230 2633 1 6 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.206 -0.277 18230 2634 1 6 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.425 -0.162 18230 2635 1 6 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.500 0.457 18230 2636 1 6 . 1 1 45 45 LEU H H 45 8.148 8.148 7.748 0.400 18230 2637 1 6 . 1 1 46 46 ASP N N 46 120.023 120.023 120.170 -0.147 18230 2638 1 6 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.344 0.032 18230 2639 1 6 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.350 -0.668 18230 2640 1 6 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.877 -0.089 18230 2641 1 6 . 1 1 46 46 ASP H H 46 8.307 8.307 8.410 -0.103 18230 2642 1 6 . 1 1 47 47 ALA N N 47 121.156 121.156 120.261 0.895 18230 2643 1 6 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.061 0.095 18230 2644 1 6 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.745 -0.832 18230 2645 1 6 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.785 -0.131 18230 2646 1 6 . 1 1 47 47 ALA H H 47 7.606 7.606 7.496 0.110 18230 2647 1 6 . 1 1 48 48 GLN N N 48 116.408 116.408 117.963 -1.555 18230 2648 1 6 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.336 -0.200 18230 2649 1 6 . 1 1 48 48 GLN C C 48 175.882 175.882 176.279 -0.397 18230 2650 1 6 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.923 0.439 18230 2651 1 6 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.342 0.140 18230 2652 1 6 . 1 1 48 48 GLN H H 48 7.665 7.665 7.488 0.177 18230 2653 1 6 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.085 0.044 18230 2654 1 6 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.852 -1.146 18230 2655 1 6 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.642 -0.344 18230 2656 1 6 . 1 1 50 50 ASP N N 50 118.824 118.824 120.216 -1.392 18230 2657 1 6 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.618 -0.070 18230 2658 1 6 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.163 -0.198 18230 2659 1 6 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.497 0.538 18230 2660 1 6 . 1 1 50 50 ASP H H 50 7.982 7.982 7.751 0.231 18230 2661 1 6 . 1 1 51 51 VAL N N 51 121.055 121.055 120.076 0.979 18230 2662 1 6 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.907 0.044 18230 2663 1 6 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.660 -1.004 18230 2664 1 6 . 1 1 51 51 VAL CB C 51 32.000 32.000 32.167 -0.167 18230 2665 1 6 . 1 1 51 51 VAL H H 51 8.231 8.231 8.333 -0.102 18230 2666 1 6 . 1 1 52 52 ASP N N 52 121.189 121.189 119.894 1.295 18230 2667 1 6 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.587 0.172 18230 2668 1 6 . 1 1 52 52 ASP C C 52 176.367 176.367 177.112 -0.745 18230 2669 1 6 . 1 1 52 52 ASP CA C 52 53.716 53.716 55.081 -1.365 18230 2670 1 6 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.346 1.053 18230 2671 1 6 . 1 1 52 52 ASP H H 52 8.410 8.410 8.694 -0.284 18230 2672 1 6 . 1 1 53 53 ALA N N 53 123.582 123.582 123.372 0.210 18230 2673 1 6 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.051 -0.119 18230 2674 1 6 . 1 1 53 53 ALA C C 53 179.208 179.208 178.759 0.449 18230 2675 1 6 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.180 0.087 18230 2676 1 6 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.558 0.599 18230 2677 1 6 . 1 1 53 53 ALA H H 53 7.755 7.755 7.409 0.346 18230 2678 1 6 . 1 1 54 54 VAL N N 54 116.235 116.235 118.283 -2.048 18230 2679 1 6 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.646 -0.191 18230 2680 1 6 . 1 1 54 54 VAL C C 54 176.432 176.432 176.719 -0.287 18230 2681 1 6 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.366 -0.122 18230 2682 1 6 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.864 -1.100 18230 2683 1 6 . 1 1 54 54 VAL H H 54 8.300 8.300 7.600 0.700 18230 2684 1 6 . 1 1 55 55 ASP N N 55 120.594 120.594 119.243 1.351 18230 2685 1 6 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.320 -0.165 18230 2686 1 6 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.837 -0.252 18230 2687 1 6 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.174 0.656 18230 2688 1 6 . 1 1 55 55 ASP H H 55 7.684 7.684 8.450 -0.766 18230 2689 1 6 . 1 1 56 56 LYS N N 56 119.178 119.178 119.985 -0.807 18230 2690 1 6 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.055 -0.127 18230 2691 1 6 . 1 1 56 56 LYS C C 56 178.697 178.697 179.290 -0.593 18230 2692 1 6 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.349 0.154 18230 2693 1 6 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.569 -0.279 18230 2694 1 6 . 1 1 56 56 LYS H H 56 7.638 7.638 7.957 -0.319 18230 2695 1 6 . 1 1 57 57 VAL N N 57 119.870 119.870 119.524 0.346 18230 2696 1 6 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.785 -0.061 18230 2697 1 6 . 1 1 57 57 VAL C C 57 177.558 177.558 178.315 -0.757 18230 2698 1 6 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.484 -0.558 18230 2699 1 6 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.887 -0.740 18230 2700 1 6 . 1 1 57 57 VAL H H 57 7.928 7.928 8.284 -0.356 18230 2701 1 6 . 1 1 58 58 MET N N 58 118.736 118.736 118.491 0.245 18230 2702 1 6 . 1 1 58 58 MET HA H 58 3.928 3.928 4.174 -0.246 18230 2703 1 6 . 1 1 58 58 MET C C 58 177.021 177.021 177.914 -0.893 18230 2704 1 6 . 1 1 58 58 MET CA C 58 58.534 58.534 58.870 -0.336 18230 2705 1 6 . 1 1 58 58 MET CB C 58 32.065 32.065 32.003 0.062 18230 2706 1 6 . 1 1 58 58 MET H H 58 8.443 8.443 8.445 -0.002 18230 2707 1 6 . 1 1 59 59 LYS N N 59 116.214 116.214 119.216 -3.002 18230 2708 1 6 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.960 0.008 18230 2709 1 6 . 1 1 59 59 LYS C C 59 178.893 178.893 178.388 0.505 18230 2710 1 6 . 1 1 59 59 LYS CA C 59 58.866 58.866 58.775 0.091 18230 2711 1 6 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.574 0.491 18230 2712 1 6 . 1 1 59 59 LYS H H 59 7.629 7.629 7.713 -0.084 18230 2713 1 6 . 1 1 60 60 GLU N N 60 117.288 117.288 117.862 -0.574 18230 2714 1 6 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.137 -0.102 18230 2715 1 6 . 1 1 60 60 GLU C C 60 178.173 178.173 178.479 -0.306 18230 2716 1 6 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.428 -0.199 18230 2717 1 6 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.854 -0.048 18230 2718 1 6 . 1 1 60 60 GLU H H 60 7.599 7.599 7.473 0.126 18230 2719 1 6 . 1 1 61 61 LEU N N 61 116.163 116.163 116.781 -0.618 18230 2720 1 6 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.162 0.208 18230 2721 1 6 . 1 1 61 61 LEU C C 61 178.893 178.893 178.134 0.759 18230 2722 1 6 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.562 -1.323 18230 2723 1 6 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.326 1.615 18230 2724 1 6 . 1 1 61 61 LEU H H 61 8.060 8.060 7.351 0.709 18230 2725 1 6 . 1 1 62 62 ASP N N 62 116.934 116.934 118.777 -1.843 18230 2726 1 6 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.931 -0.265 18230 2727 1 6 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.867 -0.622 18230 2728 1 6 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.456 -0.447 18230 2729 1 6 . 1 1 62 62 ASP H H 62 8.012 8.012 8.068 -0.056 18230 2730 1 6 . 1 1 63 63 GLU N N 63 129.388 129.388 124.302 5.086 18230 2731 1 6 . 1 1 63 63 GLU HA H 63 4.022 4.022 3.997 0.025 18230 2732 1 6 . 1 1 63 63 GLU C C 63 177.519 177.519 177.869 -0.350 18230 2733 1 6 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.743 -0.071 18230 2734 1 6 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.917 0.590 18230 2735 1 6 . 1 1 63 63 GLU H H 63 8.356 8.356 8.721 -0.365 18230 2736 1 6 . 1 1 64 64 ASN N N 64 112.751 112.751 116.614 -3.863 18230 2737 1 6 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.514 0.219 18230 2738 1 6 . 1 1 64 64 ASN C C 64 176.498 176.498 176.345 0.153 18230 2739 1 6 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.336 -2.447 18230 2740 1 6 . 1 1 64 64 ASN CB C 64 37.172 37.172 39.228 -2.056 18230 2741 1 6 . 1 1 64 64 ASN H H 64 7.997 7.997 7.813 0.184 18230 2742 1 6 . 1 1 65 65 GLY N N 65 109.265 109.265 107.897 1.368 18230 2743 1 6 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.416 1.986 18230 2744 1 6 . 1 1 65 65 GLY H H 65 7.552 7.552 8.540 -0.988 18230 2745 1 6 . 1 1 66 66 ASP N N 66 119.331 119.331 120.966 -1.635 18230 2746 1 6 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.608 -0.076 18230 2747 1 6 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.925 0.265 18230 2748 1 6 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.773 -0.530 18230 2749 1 6 . 1 1 66 66 ASP H H 66 8.124 8.124 8.197 -0.073 18230 2750 1 6 . 1 1 67 67 GLY N N 67 113.348 113.348 108.786 4.562 18230 2751 1 6 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.599 0.005 18230 2752 1 6 . 1 1 67 67 GLY H H 67 10.285 10.285 9.177 1.108 18230 2753 1 6 . 1 1 68 68 GLU N N 68 117.060 117.060 118.736 -1.676 18230 2754 1 6 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.840 -0.039 18230 2755 1 6 . 1 1 68 68 GLU C C 68 175.176 175.176 174.969 0.207 18230 2756 1 6 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.689 -0.179 18230 2757 1 6 . 1 1 68 68 GLU CB C 68 36.223 36.223 33.379 2.844 18230 2758 1 6 . 1 1 68 68 GLU H H 68 7.732 7.732 8.769 -1.037 18230 2759 1 6 . 1 1 69 69 VAL N N 69 125.264 125.264 121.715 3.549 18230 2760 1 6 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.734 0.506 18230 2761 1 6 . 1 1 69 69 VAL C C 69 175.961 175.961 174.787 1.174 18230 2762 1 6 . 1 1 69 69 VAL CA C 69 61.144 61.144 61.188 -0.044 18230 2763 1 6 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.597 0.088 18230 2764 1 6 . 1 1 69 69 VAL H H 69 9.392 9.392 8.928 0.464 18230 2765 1 6 . 1 1 70 70 ASP N N 70 129.378 129.378 125.463 3.915 18230 2766 1 6 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.978 0.183 18230 2767 1 6 . 1 1 70 70 ASP C C 70 175.032 175.032 176.478 -1.446 18230 2768 1 6 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.299 0.116 18230 2769 1 6 . 1 1 70 70 ASP CB C 70 41.839 41.839 42.485 -0.646 18230 2770 1 6 . 1 1 70 70 ASP H H 70 9.112 9.112 8.794 0.318 18230 2771 1 6 . 1 1 71 71 PHE N N 71 118.452 118.452 120.927 -2.475 18230 2772 1 6 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.051 -0.138 18230 2773 1 6 . 1 1 71 71 PHE C C 71 176.576 176.576 176.806 -0.230 18230 2774 1 6 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.824 2.610 18230 2775 1 6 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.978 0.253 18230 2776 1 6 . 1 1 71 71 PHE H H 71 8.948 8.948 9.123 -0.175 18230 2777 1 6 . 1 1 72 72 GLN N N 72 116.934 116.934 118.416 -1.482 18230 2778 1 6 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.843 -0.155 18230 2779 1 6 . 1 1 72 72 GLN C C 72 178.056 178.056 178.291 -0.235 18230 2780 1 6 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.388 0.205 18230 2781 1 6 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.158 0.006 18230 2782 1 6 . 1 1 72 72 GLN H H 72 8.012 8.012 8.308 -0.296 18230 2783 1 6 . 1 1 73 73 GLU N N 73 120.208 120.208 120.959 -0.751 18230 2784 1 6 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.040 0.026 18230 2785 1 6 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.657 -1.151 18230 2786 1 6 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.807 0.310 18230 2787 1 6 . 1 1 73 73 GLU H H 73 8.308 8.308 9.841 -1.533 18230 2788 1 6 . 1 1 74 74 TYR N N 74 121.623 121.623 121.723 -0.100 18230 2789 1 6 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.228 -0.139 18230 2790 1 6 . 1 1 74 74 TYR C C 74 176.485 176.485 177.664 -1.179 18230 2791 1 6 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.705 -2.230 18230 2792 1 6 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.805 -0.799 18230 2793 1 6 . 1 1 74 74 TYR H H 74 8.339 8.339 8.711 -0.372 18230 2794 1 6 . 1 1 75 75 VAL N N 75 120.827 120.827 119.802 1.025 18230 2795 1 6 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.709 -0.835 18230 2796 1 6 . 1 1 75 75 VAL C C 75 176.563 176.563 177.928 -1.365 18230 2797 1 6 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.797 -0.443 18230 2798 1 6 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.623 -0.972 18230 2799 1 6 . 1 1 75 75 VAL H H 75 8.088 8.088 8.384 -0.296 18230 2800 1 6 . 1 1 76 76 VAL N N 76 120.216 120.216 117.401 2.815 18230 2801 1 6 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.630 -0.215 18230 2802 1 6 . 1 1 76 76 VAL C C 76 178.645 178.645 177.615 1.030 18230 2803 1 6 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.154 0.703 18230 2804 1 6 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.338 -0.038 18230 2805 1 6 . 1 1 76 76 VAL H H 76 7.132 7.132 7.981 -0.849 18230 2806 1 6 . 1 1 77 77 LEU N N 77 120.900 120.900 122.179 -1.279 18230 2807 1 6 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.940 0.088 18230 2808 1 6 . 1 1 77 77 LEU C C 77 177.362 177.362 178.519 -1.157 18230 2809 1 6 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.237 -0.562 18230 2810 1 6 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.635 -1.080 18230 2811 1 6 . 1 1 77 77 LEU H H 77 6.860 6.860 7.989 -1.129 18230 2812 1 6 . 1 1 78 78 VAL N N 78 116.991 116.991 115.354 1.637 18230 2813 1 6 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.461 -0.338 18230 2814 1 6 . 1 1 78 78 VAL C C 78 179.142 179.142 177.782 1.360 18230 2815 1 6 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.840 0.989 18230 2816 1 6 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.941 0.360 18230 2817 1 6 . 1 1 78 78 VAL H H 78 7.519 7.519 7.999 -0.480 18230 2818 1 6 . 1 1 79 79 ALA N N 79 124.679 124.679 123.365 1.314 18230 2819 1 6 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.006 -0.319 18230 2820 1 6 . 1 1 79 79 ALA C C 79 178.213 178.213 179.071 -0.858 18230 2821 1 6 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.919 1.089 18230 2822 1 6 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.371 -0.554 18230 2823 1 6 . 1 1 79 79 ALA H H 79 8.964 8.964 8.251 0.713 18230 2824 1 6 . 1 1 80 80 ALA N N 80 120.376 120.376 121.473 -1.097 18230 2825 1 6 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.074 -0.040 18230 2826 1 6 . 1 1 80 80 ALA C C 80 181.852 181.852 179.666 2.186 18230 2827 1 6 . 1 1 80 80 ALA CA C 80 55.283 55.283 55.009 0.274 18230 2828 1 6 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.354 -0.554 18230 2829 1 6 . 1 1 80 80 ALA H H 80 7.794 7.794 8.403 -0.609 18230 2830 1 6 . 1 1 81 81 LEU N N 81 119.275 119.275 118.571 0.704 18230 2831 1 6 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.100 -0.060 18230 2832 1 6 . 1 1 81 81 LEU C C 81 179.168 179.168 179.350 -0.182 18230 2833 1 6 . 1 1 81 81 LEU CA C 81 57.345 57.345 58.116 -0.771 18230 2834 1 6 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.124 0.520 18230 2835 1 6 . 1 1 81 81 LEU H H 81 8.494 8.494 8.354 0.140 18230 2836 1 6 . 1 1 82 82 THR N N 82 119.781 119.781 116.348 3.433 18230 2837 1 6 . 1 1 82 82 THR HA H 82 3.800 3.800 3.919 -0.119 18230 2838 1 6 . 1 1 82 82 THR CA C 82 68.473 68.473 66.760 1.713 18230 2839 1 6 . 1 1 82 82 THR CB C 82 67.796 67.796 68.172 -0.376 18230 2840 1 6 . 1 1 82 82 THR H H 82 8.418 8.418 7.971 0.447 18230 2841 1 6 . 1 1 83 83 VAL N N 83 122.419 122.419 121.439 0.980 18230 2842 1 6 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.679 0.023 18230 2843 1 6 . 1 1 83 83 VAL C C 83 177.781 177.781 176.891 0.890 18230 2844 1 6 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.844 1.467 18230 2845 1 6 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.383 0.292 18230 2846 1 6 . 1 1 83 83 VAL H H 83 8.164 8.164 8.216 -0.052 18230 2847 1 6 . 1 1 84 84 ALA N N 84 121.470 121.470 121.911 -0.441 18230 2848 1 6 . 1 1 84 84 ALA HA H 84 4.148 4.148 3.913 0.235 18230 2849 1 6 . 1 1 84 84 ALA C C 84 180.032 180.032 179.260 0.772 18230 2850 1 6 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.204 -0.099 18230 2851 1 6 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.865 -0.067 18230 2852 1 6 . 1 1 84 84 ALA H H 84 7.877 7.877 8.372 -0.495 18230 2853 1 6 . 1 1 85 85 CYS N N 85 117.473 117.473 119.505 -2.032 18230 2854 1 6 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.535 -0.111 18230 2855 1 6 . 1 1 85 85 CYS C C 85 176.092 176.092 176.874 -0.782 18230 2856 1 6 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.071 -5.091 18230 2857 1 6 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.218 14.337 18230 2858 1 6 . 1 1 85 85 CYS H H 85 8.370 8.370 8.447 -0.077 18230 2859 1 6 . 1 1 86 86 ASN N N 86 119.886 119.886 118.719 1.167 18230 2860 1 6 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.487 -0.251 18230 2861 1 6 . 1 1 86 86 ASN CA C 86 57.260 57.260 57.012 0.248 18230 2862 1 6 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.423 1.254 18230 2863 1 6 . 1 1 87 87 ASN N N 87 117.136 117.136 118.973 -1.837 18230 2864 1 6 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.480 -0.080 18230 2865 1 6 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.074 -1.042 18230 2866 1 6 . 1 1 87 87 ASN CB C 87 37.829 37.829 37.777 0.052 18230 2867 1 6 . 1 1 87 87 ASN H H 87 8.136 8.136 8.309 -0.173 18230 2868 1 6 . 1 1 88 88 PHE N N 88 119.001 119.001 120.032 -1.031 18230 2869 1 6 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.414 -0.124 18230 2870 1 6 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.364 -1.667 18230 2871 1 6 . 1 1 88 88 PHE CB C 88 39.206 39.206 38.923 0.283 18230 2872 1 6 . 1 1 88 88 PHE H H 88 7.865 7.865 8.176 -0.311 18230 2873 1 6 . 1 1 89 89 PHE N N 89 118.050 118.050 119.244 -1.194 18230 2874 1 6 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.204 0.006 18230 2875 1 6 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.158 -1.658 18230 2876 1 6 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.669 -0.182 18230 2877 1 6 . 1 1 89 89 PHE H H 89 7.924 7.924 8.187 -0.263 18230 2878 1 6 . 1 1 90 90 TRP N N 90 119.104 119.104 119.779 -0.675 18230 2879 1 6 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.492 -0.016 18230 2880 1 6 . 1 1 90 90 TRP CA C 90 57.688 57.688 59.468 -1.780 18230 2881 1 6 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.528 -1.034 18230 2882 1 6 . 1 1 90 90 TRP H H 90 7.848 7.848 8.328 -0.480 18230 2883 1 6 . 1 1 91 91 GLU N N 91 120.457 120.457 118.437 2.020 18230 2884 1 6 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.549 -0.420 18230 2885 1 6 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.083 1.956 18230 2886 1 6 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.696 -1.663 18230 2887 1 6 . 1 1 91 91 GLU H H 91 7.816 7.816 8.075 -0.259 18230 2888 1 6 . 1 1 92 92 ASN N N 92 125.418 125.418 123.019 2.399 18230 2889 1 6 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.779 -0.369 18230 2890 1 6 . 1 1 92 92 ASN CA C 92 54.731 54.731 53.063 1.668 18230 2891 1 6 . 1 1 92 92 ASN CB C 92 41.074 41.074 39.635 1.439 18230 2892 1 6 . 1 1 92 92 ASN H H 92 7.846 7.846 8.585 -0.739 18230 2893 1 7 . 1 1 2 2 SER HA H 2 4.757 4.757 4.381 0.376 18230 2894 1 7 . 1 1 2 2 SER CA C 2 57.482 57.482 59.474 -1.992 18230 2895 1 7 . 1 1 2 2 SER CB C 2 64.893 64.893 63.219 1.674 18230 2896 1 7 . 1 1 3 3 GLU N N 3 123.948 123.948 122.745 1.203 18230 2897 1 7 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.059 0.066 18230 2898 1 7 . 1 1 3 3 GLU C C 3 179.443 179.443 178.566 0.877 18230 2899 1 7 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.332 0.968 18230 2900 1 7 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.151 0.421 18230 2901 1 7 . 1 1 3 3 GLU H H 3 9.442 9.442 8.666 0.776 18230 2902 1 7 . 1 1 4 4 LEU N N 4 120.236 120.236 120.526 -0.290 18230 2903 1 7 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.025 0.050 18230 2904 1 7 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.845 0.246 18230 2905 1 7 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.957 0.545 18230 2906 1 7 . 1 1 4 4 LEU H H 4 8.907 8.907 7.545 1.362 18230 2907 1 7 . 1 1 5 5 GLU N N 5 119.034 119.034 119.141 -0.107 18230 2908 1 7 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.054 -0.086 18230 2909 1 7 . 1 1 5 5 GLU C C 5 179.234 179.234 178.731 0.503 18230 2910 1 7 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.424 0.716 18230 2911 1 7 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.159 0.257 18230 2912 1 7 . 1 1 5 5 GLU H H 5 8.296 8.296 8.314 -0.018 18230 2913 1 7 . 1 1 6 6 THR N N 6 116.586 116.586 116.489 0.097 18230 2914 1 7 . 1 1 6 6 THR HA H 6 4.008 4.008 4.022 -0.014 18230 2915 1 7 . 1 1 6 6 THR CA C 6 66.397 66.397 66.458 -0.061 18230 2916 1 7 . 1 1 6 6 THR CB C 6 68.595 68.595 68.314 0.281 18230 2917 1 7 . 1 1 6 6 THR H H 6 8.282 8.282 8.545 -0.263 18230 2918 1 7 . 1 1 7 7 ALA N N 7 126.275 126.275 125.176 1.099 18230 2919 1 7 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.136 0.047 18230 2920 1 7 . 1 1 7 7 ALA CA C 7 55.613 55.613 54.991 0.622 18230 2921 1 7 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.135 -0.195 18230 2922 1 7 . 1 1 7 7 ALA H H 7 8.141 8.141 8.149 -0.008 18230 2923 1 7 . 1 1 8 8 MET N N 8 117.071 117.071 117.869 -0.798 18230 2924 1 7 . 1 1 8 8 MET HA H 8 3.834 3.834 4.034 -0.200 18230 2925 1 7 . 1 1 8 8 MET C C 8 177.846 177.846 178.817 -0.971 18230 2926 1 7 . 1 1 8 8 MET CA C 8 60.757 60.757 59.533 1.224 18230 2927 1 7 . 1 1 8 8 MET CB C 8 34.012 34.012 32.385 1.627 18230 2928 1 7 . 1 1 8 8 MET H H 8 8.269 8.269 8.224 0.045 18230 2929 1 7 . 1 1 9 9 GLU N N 9 117.667 117.667 118.292 -0.625 18230 2930 1 7 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.149 -0.221 18230 2931 1 7 . 1 1 9 9 GLU C C 9 178.933 178.933 179.264 -0.331 18230 2932 1 7 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.470 0.393 18230 2933 1 7 . 1 1 9 9 GLU CB C 9 29.261 29.261 28.853 0.408 18230 2934 1 7 . 1 1 9 9 GLU H H 9 8.105 8.105 8.517 -0.412 18230 2935 1 7 . 1 1 10 10 THR N N 10 118.326 118.326 118.155 0.171 18230 2936 1 7 . 1 1 10 10 THR HA H 10 4.075 4.075 4.111 -0.036 18230 2937 1 7 . 1 1 10 10 THR CA C 10 67.311 67.311 66.978 0.333 18230 2938 1 7 . 1 1 10 10 THR CB C 10 67.934 67.934 68.399 -0.465 18230 2939 1 7 . 1 1 10 10 THR H H 10 8.407 8.407 8.250 0.157 18230 2940 1 7 . 1 1 11 11 LEU N N 11 119.765 119.765 121.773 -2.008 18230 2941 1 7 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.069 -0.141 18230 2942 1 7 . 1 1 11 11 LEU C C 11 180.896 180.896 178.972 1.924 18230 2943 1 7 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.399 0.882 18230 2944 1 7 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.339 0.261 18230 2945 1 7 . 1 1 11 11 LEU H H 11 8.131 8.131 8.276 -0.145 18230 2946 1 7 . 1 1 12 12 ILE N N 12 119.540 119.540 120.392 -0.852 18230 2947 1 7 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.814 0.141 18230 2948 1 7 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.831 -0.098 18230 2949 1 7 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.651 1.736 18230 2950 1 7 . 1 1 12 12 ILE H H 12 7.715 7.715 8.476 -0.761 18230 2951 1 7 . 1 1 13 13 ASN N N 13 121.587 121.587 118.625 2.962 18230 2952 1 7 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.556 -0.025 18230 2953 1 7 . 1 1 13 13 ASN C C 13 178.867 178.867 178.318 0.549 18230 2954 1 7 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.243 0.186 18230 2955 1 7 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.120 -0.058 18230 2956 1 7 . 1 1 13 13 ASN H H 13 9.040 9.040 8.534 0.506 18230 2957 1 7 . 1 1 14 14 VAL N N 14 120.603 120.603 117.465 3.138 18230 2958 1 7 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.816 -0.009 18230 2959 1 7 . 1 1 14 14 VAL C C 14 177.113 177.113 177.272 -0.159 18230 2960 1 7 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.244 0.264 18230 2961 1 7 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.546 0.051 18230 2962 1 7 . 1 1 14 14 VAL H H 14 8.954 8.954 8.238 0.716 18230 2963 1 7 . 1 1 15 15 PHE N N 15 117.585 117.585 122.304 -4.719 18230 2964 1 7 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.562 -0.103 18230 2965 1 7 . 1 1 15 15 PHE C C 15 177.257 177.257 176.489 0.768 18230 2966 1 7 . 1 1 15 15 PHE CA C 15 62.576 62.576 62.061 0.515 18230 2967 1 7 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.538 0.514 18230 2968 1 7 . 1 1 15 15 PHE H H 15 6.956 6.956 8.312 -1.356 18230 2969 1 7 . 1 1 16 16 HIS N N 16 115.204 115.204 119.881 -4.677 18230 2970 1 7 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.875 0.964 18230 2971 1 7 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.079 -0.601 18230 2972 1 7 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.734 -0.814 18230 2973 1 7 . 1 1 16 16 HIS H H 16 7.736 7.736 8.568 -0.832 18230 2974 1 7 . 1 1 17 17 ALA N N 17 123.201 123.201 120.644 2.557 18230 2975 1 7 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.759 0.277 18230 2976 1 7 . 1 1 17 17 ALA C C 17 178.867 178.867 179.895 -1.028 18230 2977 1 7 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.870 -0.725 18230 2978 1 7 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.169 -0.508 18230 2979 1 7 . 1 1 17 17 ALA H H 17 8.066 8.066 7.867 0.199 18230 2980 1 7 . 1 1 18 18 HIS N N 18 113.974 113.974 117.226 -3.252 18230 2981 1 7 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.147 0.225 18230 2982 1 7 . 1 1 18 18 HIS C C 18 175.568 175.568 177.702 -2.134 18230 2983 1 7 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.652 -2.239 18230 2984 1 7 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.563 3.190 18230 2985 1 7 . 1 1 18 18 HIS H H 18 7.047 7.047 8.236 -1.189 18230 2986 1 7 . 1 1 19 19 SER N N 19 113.745 113.745 114.948 -1.203 18230 2987 1 7 . 1 1 19 19 SER HA H 19 3.658 3.658 4.067 -0.409 18230 2988 1 7 . 1 1 19 19 SER CA C 19 61.247 61.247 60.605 0.642 18230 2989 1 7 . 1 1 19 19 SER CB C 19 61.323 61.323 62.205 -0.881 18230 2990 1 7 . 1 1 19 19 SER H H 19 8.470 8.470 7.975 0.495 18230 2991 1 7 . 1 1 20 20 GLY N N 20 111.711 111.711 108.809 2.902 18230 2992 1 7 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.822 -0.440 18230 2993 1 7 . 1 1 20 20 GLY H H 20 7.739 7.739 7.569 0.170 18230 2994 1 7 . 1 1 21 21 LYS N N 21 122.328 122.328 120.856 1.472 18230 2995 1 7 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.874 0.040 18230 2996 1 7 . 1 1 21 21 LYS C C 21 177.192 177.192 176.834 0.358 18230 2997 1 7 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.090 1.247 18230 2998 1 7 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.640 0.048 18230 2999 1 7 . 1 1 21 21 LYS H H 21 7.200 7.200 7.406 -0.206 18230 3000 1 7 . 1 1 22 22 GLU N N 22 115.975 115.975 117.565 -1.590 18230 3001 1 7 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.317 0.340 18230 3002 1 7 . 1 1 22 22 GLU C C 22 175.882 175.882 175.903 -0.021 18230 3003 1 7 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.063 -0.959 18230 3004 1 7 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.024 0.979 18230 3005 1 7 . 1 1 22 22 GLU H H 22 9.369 9.369 7.648 1.721 18230 3006 1 7 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.515 0.321 18230 3007 1 7 . 1 1 25 25 LYS HA H 25 4.276 4.276 4.003 0.273 18230 3008 1 7 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.582 -0.602 18230 3009 1 7 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.359 -1.151 18230 3010 1 7 . 1 1 26 26 TYR N N 26 119.825 119.825 115.889 3.936 18230 3011 1 7 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.768 -0.063 18230 3012 1 7 . 1 1 26 26 TYR C C 26 173.696 173.696 174.652 -0.956 18230 3013 1 7 . 1 1 26 26 TYR CA C 26 56.180 56.180 58.332 -2.152 18230 3014 1 7 . 1 1 26 26 TYR CB C 26 38.049 38.049 38.441 -0.392 18230 3015 1 7 . 1 1 26 26 TYR H H 26 9.414 9.414 7.935 1.479 18230 3016 1 7 . 1 1 27 27 LYS N N 27 114.922 114.922 119.924 -5.002 18230 3017 1 7 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.899 0.221 18230 3018 1 7 . 1 1 27 27 LYS C C 27 174.678 174.678 174.131 0.547 18230 3019 1 7 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.911 0.079 18230 3020 1 7 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.756 2.085 18230 3021 1 7 . 1 1 27 27 LYS H H 27 7.107 7.107 7.849 -0.742 18230 3022 1 7 . 1 1 28 28 LEU N N 28 125.976 125.976 127.487 -1.511 18230 3023 1 7 . 1 1 28 28 LEU HA H 28 5.184 5.184 5.225 -0.041 18230 3024 1 7 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.760 0.015 18230 3025 1 7 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.891 -2.854 18230 3026 1 7 . 1 1 28 28 LEU H H 28 9.757 9.757 9.188 0.569 18230 3027 1 7 . 1 1 29 29 SER N N 29 121.025 121.025 120.520 0.505 18230 3028 1 7 . 1 1 29 29 SER HA H 29 4.558 4.558 4.858 -0.300 18230 3029 1 7 . 1 1 29 29 SER C C 29 174.338 174.338 175.289 -0.951 18230 3030 1 7 . 1 1 29 29 SER CA C 29 56.208 56.208 56.136 0.072 18230 3031 1 7 . 1 1 29 29 SER CB C 29 65.480 65.480 66.063 -0.583 18230 3032 1 7 . 1 1 29 29 SER H H 29 9.908 9.908 8.355 1.553 18230 3033 1 7 . 1 1 30 30 LYS N N 30 120.385 120.385 123.050 -2.665 18230 3034 1 7 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.850 -0.003 18230 3035 1 7 . 1 1 30 30 LYS C C 30 177.859 177.859 178.387 -0.528 18230 3036 1 7 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.980 0.321 18230 3037 1 7 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.468 -0.457 18230 3038 1 7 . 1 1 30 30 LYS H H 30 8.845 8.845 9.167 -0.322 18230 3039 1 7 . 1 1 31 31 LYS N N 31 118.358 118.358 116.253 2.105 18230 3040 1 7 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.056 -0.155 18230 3041 1 7 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.089 0.524 18230 3042 1 7 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.843 1.155 18230 3043 1 7 . 1 1 31 31 LYS H H 31 7.924 7.924 8.393 -0.469 18230 3044 1 7 . 1 1 32 32 GLU N N 32 119.355 119.355 120.351 -0.996 18230 3045 1 7 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.140 -0.239 18230 3046 1 7 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.117 -0.279 18230 3047 1 7 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.796 0.867 18230 3048 1 7 . 1 1 32 32 GLU H H 32 7.502 7.502 7.433 0.069 18230 3049 1 7 . 1 1 33 33 LEU N N 33 119.533 119.533 117.928 1.605 18230 3050 1 7 . 1 1 33 33 LEU HA H 33 3.908 3.908 3.965 -0.057 18230 3051 1 7 . 1 1 33 33 LEU C C 33 177.571 177.571 178.770 -1.199 18230 3052 1 7 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.608 -0.833 18230 3053 1 7 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.032 0.457 18230 3054 1 7 . 1 1 33 33 LEU H H 33 9.076 9.076 8.631 0.445 18230 3055 1 7 . 1 1 34 34 LYS N N 34 119.251 119.251 119.369 -0.118 18230 3056 1 7 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.920 -0.274 18230 3057 1 7 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.363 1.220 18230 3058 1 7 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.991 0.074 18230 3059 1 7 . 1 1 34 34 LYS H H 34 8.262 8.262 8.446 -0.184 18230 3060 1 7 . 1 1 35 35 GLU N N 35 117.642 117.642 119.663 -2.021 18230 3061 1 7 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.149 -0.154 18230 3062 1 7 . 1 1 35 35 GLU C C 35 178.776 178.776 178.965 -0.189 18230 3063 1 7 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.121 0.465 18230 3064 1 7 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.903 -0.954 18230 3065 1 7 . 1 1 35 35 GLU H H 35 7.742 7.742 7.837 -0.095 18230 3066 1 7 . 1 1 36 36 LEU N N 36 124.753 124.753 122.449 2.304 18230 3067 1 7 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.290 -0.594 18230 3068 1 7 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.299 2.398 18230 3069 1 7 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.687 0.281 18230 3070 1 7 . 1 1 36 36 LEU H H 36 8.304 8.304 8.403 -0.099 18230 3071 1 7 . 1 1 37 37 LEU N N 37 119.058 119.058 117.809 1.249 18230 3072 1 7 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.979 -0.252 18230 3073 1 7 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.033 0.279 18230 3074 1 7 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.831 0.969 18230 3075 1 7 . 1 1 37 37 LEU H H 37 8.684 8.684 8.415 0.269 18230 3076 1 7 . 1 1 38 38 GLN N N 38 114.728 114.728 116.732 -2.004 18230 3077 1 7 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.218 -0.277 18230 3078 1 7 . 1 1 38 38 GLN C C 38 177.584 177.584 178.287 -0.703 18230 3079 1 7 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.603 -0.125 18230 3080 1 7 . 1 1 38 38 GLN CB C 38 29.027 29.027 29.044 -0.017 18230 3081 1 7 . 1 1 38 38 GLN H H 38 8.510 8.510 7.629 0.881 18230 3082 1 7 . 1 1 39 39 THR N N 39 110.419 110.419 109.930 0.489 18230 3083 1 7 . 1 1 39 39 THR HA H 39 4.238 4.238 4.187 0.051 18230 3084 1 7 . 1 1 39 39 THR C C 39 176.341 176.341 176.242 0.099 18230 3085 1 7 . 1 1 39 39 THR CA C 39 64.874 64.874 64.553 0.321 18230 3086 1 7 . 1 1 39 39 THR CB C 39 69.919 69.919 69.344 0.575 18230 3087 1 7 . 1 1 39 39 THR H H 39 7.863 7.863 8.024 -0.161 18230 3088 1 7 . 1 1 40 40 GLU N N 40 117.514 117.514 120.338 -2.824 18230 3089 1 7 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.427 0.326 18230 3090 1 7 . 1 1 40 40 GLU C C 40 177.807 177.807 176.787 1.020 18230 3091 1 7 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.424 -0.942 18230 3092 1 7 . 1 1 40 40 GLU CB C 40 31.789 31.789 30.871 0.918 18230 3093 1 7 . 1 1 40 40 GLU H H 40 8.468 8.468 8.194 0.274 18230 3094 1 7 . 1 1 41 41 LEU N N 41 121.141 121.141 121.192 -0.051 18230 3095 1 7 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.650 0.363 18230 3096 1 7 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.343 -1.512 18230 3097 1 7 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.180 0.443 18230 3098 1 7 . 1 1 41 41 LEU H H 41 7.682 7.682 8.130 -0.448 18230 3099 1 7 . 1 1 42 42 SER N N 42 116.557 116.557 117.551 -0.994 18230 3100 1 7 . 1 1 42 42 SER HA H 42 4.055 4.055 4.439 -0.384 18230 3101 1 7 . 1 1 42 42 SER C C 42 176.537 176.537 176.576 -0.039 18230 3102 1 7 . 1 1 42 42 SER CA C 42 61.552 61.552 59.987 1.565 18230 3103 1 7 . 1 1 42 42 SER CB C 42 62.783 62.783 63.918 -1.135 18230 3104 1 7 . 1 1 42 42 SER H H 42 8.186 8.186 8.782 -0.596 18230 3105 1 7 . 1 1 43 43 GLY N N 43 111.517 111.517 111.207 0.310 18230 3106 1 7 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.953 -0.906 18230 3107 1 7 . 1 1 43 43 GLY H H 43 8.880 8.880 8.833 0.047 18230 3108 1 7 . 1 1 44 44 PHE N N 44 122.405 122.405 119.458 2.947 18230 3109 1 7 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.185 0.172 18230 3110 1 7 . 1 1 44 44 PHE C C 44 176.851 176.851 177.373 -0.522 18230 3111 1 7 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.088 -1.253 18230 3112 1 7 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.629 0.991 18230 3113 1 7 . 1 1 44 44 PHE H H 44 7.972 7.972 8.036 -0.064 18230 3114 1 7 . 1 1 45 45 LEU N N 45 119.444 119.444 118.396 1.048 18230 3115 1 7 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.150 -0.221 18230 3116 1 7 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.804 -0.541 18230 3117 1 7 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.294 0.663 18230 3118 1 7 . 1 1 45 45 LEU H H 45 8.148 8.148 7.752 0.396 18230 3119 1 7 . 1 1 46 46 ASP N N 46 120.023 120.023 120.281 -0.258 18230 3120 1 7 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.334 0.042 18230 3121 1 7 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.560 -0.878 18230 3122 1 7 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.844 -0.056 18230 3123 1 7 . 1 1 46 46 ASP H H 46 8.307 8.307 8.381 -0.074 18230 3124 1 7 . 1 1 47 47 ALA N N 47 121.156 121.156 120.247 0.909 18230 3125 1 7 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.088 0.068 18230 3126 1 7 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.870 -0.957 18230 3127 1 7 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.896 -0.242 18230 3128 1 7 . 1 1 47 47 ALA H H 47 7.606 7.606 7.428 0.178 18230 3129 1 7 . 1 1 48 48 GLN N N 48 116.408 116.408 117.720 -1.312 18230 3130 1 7 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.434 -0.298 18230 3131 1 7 . 1 1 48 48 GLN C C 48 175.882 175.882 176.085 -0.203 18230 3132 1 7 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.634 0.728 18230 3133 1 7 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.566 -0.084 18230 3134 1 7 . 1 1 48 48 GLN H H 48 7.665 7.665 7.574 0.091 18230 3135 1 7 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.088 0.041 18230 3136 1 7 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.836 -1.129 18230 3137 1 7 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.694 -0.396 18230 3138 1 7 . 1 1 50 50 ASP N N 50 118.824 118.824 118.869 -0.045 18230 3139 1 7 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.679 -0.131 18230 3140 1 7 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.294 -0.329 18230 3141 1 7 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.602 0.433 18230 3142 1 7 . 1 1 50 50 ASP H H 50 7.982 7.982 7.915 0.067 18230 3143 1 7 . 1 1 51 51 VAL N N 51 121.055 121.055 120.243 0.812 18230 3144 1 7 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.850 0.101 18230 3145 1 7 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.957 -1.301 18230 3146 1 7 . 1 1 51 51 VAL CB C 51 32.000 32.000 32.124 -0.124 18230 3147 1 7 . 1 1 51 51 VAL H H 51 8.231 8.231 8.358 -0.127 18230 3148 1 7 . 1 1 52 52 ASP N N 52 121.189 121.189 120.984 0.205 18230 3149 1 7 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.379 0.380 18230 3150 1 7 . 1 1 52 52 ASP C C 52 176.367 176.367 177.859 -1.492 18230 3151 1 7 . 1 1 52 52 ASP CA C 52 53.716 53.716 57.032 -3.316 18230 3152 1 7 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.588 0.811 18230 3153 1 7 . 1 1 52 52 ASP H H 52 8.410 8.410 8.824 -0.414 18230 3154 1 7 . 1 1 53 53 ALA N N 53 123.582 123.582 122.547 1.035 18230 3155 1 7 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.010 -0.078 18230 3156 1 7 . 1 1 53 53 ALA C C 53 179.208 179.208 179.051 0.157 18230 3157 1 7 . 1 1 53 53 ALA CA C 53 55.267 55.267 54.973 0.294 18230 3158 1 7 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.418 0.739 18230 3159 1 7 . 1 1 53 53 ALA H H 53 7.755 7.755 7.404 0.351 18230 3160 1 7 . 1 1 54 54 VAL N N 54 116.235 116.235 118.188 -1.953 18230 3161 1 7 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.644 -0.189 18230 3162 1 7 . 1 1 54 54 VAL C C 54 176.432 176.432 177.099 -0.667 18230 3163 1 7 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.643 -0.399 18230 3164 1 7 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.905 -1.141 18230 3165 1 7 . 1 1 54 54 VAL H H 54 8.300 8.300 7.805 0.495 18230 3166 1 7 . 1 1 55 55 ASP N N 55 120.594 120.594 119.832 0.762 18230 3167 1 7 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.367 -0.212 18230 3168 1 7 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.545 0.039 18230 3169 1 7 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.127 0.703 18230 3170 1 7 . 1 1 55 55 ASP H H 55 7.684 7.684 7.870 -0.186 18230 3171 1 7 . 1 1 56 56 LYS N N 56 119.178 119.178 120.394 -1.216 18230 3172 1 7 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.033 -0.105 18230 3173 1 7 . 1 1 56 56 LYS C C 56 178.697 178.697 179.287 -0.590 18230 3174 1 7 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.514 -0.012 18230 3175 1 7 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.558 -0.268 18230 3176 1 7 . 1 1 56 56 LYS H H 56 7.638 7.638 7.972 -0.334 18230 3177 1 7 . 1 1 57 57 VAL N N 57 119.870 119.870 119.095 0.775 18230 3178 1 7 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.675 0.049 18230 3179 1 7 . 1 1 57 57 VAL C C 57 177.558 177.558 178.127 -0.569 18230 3180 1 7 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.501 -0.576 18230 3181 1 7 . 1 1 57 57 VAL CB C 57 31.147 31.147 32.001 -0.854 18230 3182 1 7 . 1 1 57 57 VAL H H 57 7.928 7.928 8.169 -0.241 18230 3183 1 7 . 1 1 58 58 MET N N 58 118.736 118.736 118.587 0.149 18230 3184 1 7 . 1 1 58 58 MET HA H 58 3.928 3.928 4.225 -0.297 18230 3185 1 7 . 1 1 58 58 MET C C 58 177.021 177.021 177.595 -0.574 18230 3186 1 7 . 1 1 58 58 MET CA C 58 58.534 58.534 58.566 -0.032 18230 3187 1 7 . 1 1 58 58 MET CB C 58 32.065 32.065 32.152 -0.087 18230 3188 1 7 . 1 1 58 58 MET H H 58 8.443 8.443 8.201 0.242 18230 3189 1 7 . 1 1 59 59 LYS N N 59 116.214 116.214 118.978 -2.764 18230 3190 1 7 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.932 0.036 18230 3191 1 7 . 1 1 59 59 LYS C C 59 178.893 178.893 178.463 0.430 18230 3192 1 7 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.669 -0.803 18230 3193 1 7 . 1 1 59 59 LYS CB C 59 32.065 32.065 32.098 -0.033 18230 3194 1 7 . 1 1 59 59 LYS H H 59 7.629 7.629 8.616 -0.987 18230 3195 1 7 . 1 1 60 60 GLU N N 60 117.288 117.288 116.686 0.602 18230 3196 1 7 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.150 -0.115 18230 3197 1 7 . 1 1 60 60 GLU C C 60 178.173 178.173 178.367 -0.194 18230 3198 1 7 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.287 -0.058 18230 3199 1 7 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.609 0.197 18230 3200 1 7 . 1 1 60 60 GLU H H 60 7.599 7.599 7.544 0.055 18230 3201 1 7 . 1 1 61 61 LEU N N 61 116.163 116.163 118.956 -2.793 18230 3202 1 7 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.174 0.196 18230 3203 1 7 . 1 1 61 61 LEU C C 61 178.893 178.893 177.872 1.021 18230 3204 1 7 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.245 -1.006 18230 3205 1 7 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.177 1.764 18230 3206 1 7 . 1 1 61 61 LEU H H 61 8.060 8.060 7.182 0.878 18230 3207 1 7 . 1 1 62 62 ASP N N 62 116.934 116.934 118.379 -1.445 18230 3208 1 7 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.802 -0.136 18230 3209 1 7 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.855 -0.610 18230 3210 1 7 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.952 -0.943 18230 3211 1 7 . 1 1 62 62 ASP H H 62 8.012 8.012 8.073 -0.061 18230 3212 1 7 . 1 1 63 63 GLU N N 63 129.388 129.388 126.434 2.954 18230 3213 1 7 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.010 0.012 18230 3214 1 7 . 1 1 63 63 GLU C C 63 177.519 177.519 177.986 -0.467 18230 3215 1 7 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.924 -0.252 18230 3216 1 7 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.915 0.592 18230 3217 1 7 . 1 1 63 63 GLU H H 63 8.356 8.356 8.535 -0.179 18230 3218 1 7 . 1 1 64 64 ASN N N 64 112.751 112.751 116.597 -3.846 18230 3219 1 7 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.529 0.204 18230 3220 1 7 . 1 1 64 64 ASN C C 64 176.498 176.498 176.146 0.352 18230 3221 1 7 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.416 -2.527 18230 3222 1 7 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.932 -1.760 18230 3223 1 7 . 1 1 64 64 ASN H H 64 7.997 7.997 7.824 0.173 18230 3224 1 7 . 1 1 65 65 GLY N N 65 109.265 109.265 106.920 2.345 18230 3225 1 7 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.544 1.859 18230 3226 1 7 . 1 1 65 65 GLY H H 65 7.552 7.552 8.346 -0.794 18230 3227 1 7 . 1 1 66 66 ASP N N 66 119.331 119.331 121.156 -1.825 18230 3228 1 7 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.585 -0.053 18230 3229 1 7 . 1 1 66 66 ASP CA C 66 53.190 53.190 53.124 0.066 18230 3230 1 7 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.847 -0.604 18230 3231 1 7 . 1 1 66 66 ASP H H 66 8.124 8.124 8.038 0.086 18230 3232 1 7 . 1 1 67 67 GLY N N 67 113.348 113.348 109.441 3.907 18230 3233 1 7 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.607 -0.003 18230 3234 1 7 . 1 1 67 67 GLY H H 67 10.285 10.285 9.379 0.906 18230 3235 1 7 . 1 1 68 68 GLU N N 68 117.060 117.060 118.650 -1.590 18230 3236 1 7 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.806 -0.005 18230 3237 1 7 . 1 1 68 68 GLU C C 68 175.176 175.176 174.994 0.182 18230 3238 1 7 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.952 -0.442 18230 3239 1 7 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.971 3.252 18230 3240 1 7 . 1 1 68 68 GLU H H 68 7.732 7.732 7.694 0.038 18230 3241 1 7 . 1 1 69 69 VAL N N 69 125.264 125.264 121.123 4.141 18230 3242 1 7 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.767 0.473 18230 3243 1 7 . 1 1 69 69 VAL C C 69 175.961 175.961 174.913 1.048 18230 3244 1 7 . 1 1 69 69 VAL CA C 69 61.144 61.144 61.021 0.123 18230 3245 1 7 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.960 -0.275 18230 3246 1 7 . 1 1 69 69 VAL H H 69 9.392 9.392 8.967 0.425 18230 3247 1 7 . 1 1 70 70 ASP N N 70 129.378 129.378 125.069 4.309 18230 3248 1 7 . 1 1 70 70 ASP HA H 70 5.161 5.161 5.008 0.153 18230 3249 1 7 . 1 1 70 70 ASP C C 70 175.032 175.032 176.795 -1.763 18230 3250 1 7 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.064 0.351 18230 3251 1 7 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.526 -1.687 18230 3252 1 7 . 1 1 70 70 ASP H H 70 9.112 9.112 8.846 0.266 18230 3253 1 7 . 1 1 71 71 PHE N N 71 118.452 118.452 123.269 -4.817 18230 3254 1 7 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.105 -0.192 18230 3255 1 7 . 1 1 71 71 PHE C C 71 176.576 176.576 176.735 -0.159 18230 3256 1 7 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.822 2.612 18230 3257 1 7 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.715 0.516 18230 3258 1 7 . 1 1 71 71 PHE H H 71 8.948 8.948 9.041 -0.093 18230 3259 1 7 . 1 1 72 72 GLN N N 72 116.934 116.934 117.819 -0.885 18230 3260 1 7 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.839 -0.151 18230 3261 1 7 . 1 1 72 72 GLN C C 72 178.056 178.056 178.248 -0.192 18230 3262 1 7 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.798 -0.205 18230 3263 1 7 . 1 1 72 72 GLN CB C 72 28.164 28.164 27.858 0.306 18230 3264 1 7 . 1 1 72 72 GLN H H 72 8.012 8.012 8.670 -0.658 18230 3265 1 7 . 1 1 73 73 GLU N N 73 120.208 120.208 120.528 -0.320 18230 3266 1 7 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.042 0.024 18230 3267 1 7 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.702 -1.196 18230 3268 1 7 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.391 0.726 18230 3269 1 7 . 1 1 73 73 GLU H H 73 8.308 8.308 7.729 0.579 18230 3270 1 7 . 1 1 74 74 TYR N N 74 121.623 121.623 121.574 0.049 18230 3271 1 7 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.181 -0.092 18230 3272 1 7 . 1 1 74 74 TYR C C 74 176.485 176.485 177.632 -1.147 18230 3273 1 7 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.789 -2.314 18230 3274 1 7 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.745 -0.739 18230 3275 1 7 . 1 1 74 74 TYR H H 74 8.339 8.339 8.718 -0.379 18230 3276 1 7 . 1 1 75 75 VAL N N 75 120.827 120.827 119.939 0.888 18230 3277 1 7 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.691 -0.817 18230 3278 1 7 . 1 1 75 75 VAL C C 75 176.563 176.563 177.692 -1.129 18230 3279 1 7 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.925 -0.571 18230 3280 1 7 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.739 -1.088 18230 3281 1 7 . 1 1 75 75 VAL H H 75 8.088 8.088 8.387 -0.299 18230 3282 1 7 . 1 1 76 76 VAL N N 76 120.216 120.216 118.126 2.090 18230 3283 1 7 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.690 -0.275 18230 3284 1 7 . 1 1 76 76 VAL C C 76 178.645 178.645 177.436 1.209 18230 3285 1 7 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.485 0.373 18230 3286 1 7 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.261 0.039 18230 3287 1 7 . 1 1 76 76 VAL H H 76 7.132 7.132 7.971 -0.839 18230 3288 1 7 . 1 1 77 77 LEU N N 77 120.900 120.900 121.743 -0.843 18230 3289 1 7 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.898 0.130 18230 3290 1 7 . 1 1 77 77 LEU C C 77 177.362 177.362 178.324 -0.962 18230 3291 1 7 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.368 -0.693 18230 3292 1 7 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.705 -1.149 18230 3293 1 7 . 1 1 77 77 LEU H H 77 6.860 6.860 7.839 -0.979 18230 3294 1 7 . 1 1 78 78 VAL N N 78 116.991 116.991 115.856 1.135 18230 3295 1 7 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.467 -0.344 18230 3296 1 7 . 1 1 78 78 VAL C C 78 179.142 179.142 177.868 1.274 18230 3297 1 7 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.888 0.940 18230 3298 1 7 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.522 0.779 18230 3299 1 7 . 1 1 78 78 VAL H H 78 7.519 7.519 8.019 -0.500 18230 3300 1 7 . 1 1 79 79 ALA N N 79 124.679 124.679 123.779 0.900 18230 3301 1 7 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.004 -0.317 18230 3302 1 7 . 1 1 79 79 ALA C C 79 178.213 178.213 179.060 -0.847 18230 3303 1 7 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.968 1.040 18230 3304 1 7 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.338 -0.521 18230 3305 1 7 . 1 1 79 79 ALA H H 79 8.964 8.964 8.229 0.735 18230 3306 1 7 . 1 1 80 80 ALA N N 80 120.376 120.376 121.381 -1.005 18230 3307 1 7 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.072 -0.038 18230 3308 1 7 . 1 1 80 80 ALA C C 80 181.852 181.852 179.660 2.192 18230 3309 1 7 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.977 0.306 18230 3310 1 7 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.334 -0.534 18230 3311 1 7 . 1 1 80 80 ALA H H 80 7.794 7.794 8.374 -0.580 18230 3312 1 7 . 1 1 81 81 LEU N N 81 119.275 119.275 118.461 0.814 18230 3313 1 7 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.005 0.035 18230 3314 1 7 . 1 1 81 81 LEU C C 81 179.168 179.168 179.251 -0.083 18230 3315 1 7 . 1 1 81 81 LEU CA C 81 57.345 57.345 58.117 -0.772 18230 3316 1 7 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.352 0.293 18230 3317 1 7 . 1 1 81 81 LEU H H 81 8.494 8.494 8.282 0.212 18230 3318 1 7 . 1 1 82 82 THR N N 82 119.781 119.781 116.492 3.289 18230 3319 1 7 . 1 1 82 82 THR HA H 82 3.800 3.800 3.880 -0.080 18230 3320 1 7 . 1 1 82 82 THR CA C 82 68.473 68.473 67.740 0.733 18230 3321 1 7 . 1 1 82 82 THR CB C 82 67.796 67.796 68.577 -0.781 18230 3322 1 7 . 1 1 82 82 THR H H 82 8.418 8.418 7.845 0.573 18230 3323 1 7 . 1 1 83 83 VAL N N 83 122.419 122.419 121.204 1.215 18230 3324 1 7 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.695 0.007 18230 3325 1 7 . 1 1 83 83 VAL C C 83 177.781 177.781 177.069 0.712 18230 3326 1 7 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.849 1.462 18230 3327 1 7 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.605 0.070 18230 3328 1 7 . 1 1 83 83 VAL H H 83 8.164 8.164 8.123 0.041 18230 3329 1 7 . 1 1 84 84 ALA N N 84 121.470 121.470 121.765 -0.295 18230 3330 1 7 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.310 -0.162 18230 3331 1 7 . 1 1 84 84 ALA C C 84 180.032 180.032 179.634 0.398 18230 3332 1 7 . 1 1 84 84 ALA CA C 84 55.105 55.105 54.945 0.160 18230 3333 1 7 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.768 0.030 18230 3334 1 7 . 1 1 84 84 ALA H H 84 7.877 7.877 8.320 -0.443 18230 3335 1 7 . 1 1 85 85 CYS N N 85 117.473 117.473 119.028 -1.555 18230 3336 1 7 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.366 0.058 18230 3337 1 7 . 1 1 85 85 CYS C C 85 176.092 176.092 176.935 -0.843 18230 3338 1 7 . 1 1 85 85 CYS CA C 85 57.980 57.980 62.949 -4.969 18230 3339 1 7 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.103 14.452 18230 3340 1 7 . 1 1 85 85 CYS H H 85 8.370 8.370 8.294 0.076 18230 3341 1 7 . 1 1 86 86 ASN N N 86 119.886 119.886 118.933 0.953 18230 3342 1 7 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.540 -0.304 18230 3343 1 7 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.548 0.712 18230 3344 1 7 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.199 1.479 18230 3345 1 7 . 1 1 87 87 ASN N N 87 117.136 117.136 118.836 -1.700 18230 3346 1 7 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.516 -0.116 18230 3347 1 7 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.442 -1.410 18230 3348 1 7 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.565 -0.736 18230 3349 1 7 . 1 1 87 87 ASN H H 87 8.136 8.136 8.425 -0.289 18230 3350 1 7 . 1 1 88 88 PHE N N 88 119.001 119.001 122.038 -3.037 18230 3351 1 7 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.313 -0.023 18230 3352 1 7 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.263 -1.566 18230 3353 1 7 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.306 -0.100 18230 3354 1 7 . 1 1 88 88 PHE H H 88 7.865 7.865 8.229 -0.364 18230 3355 1 7 . 1 1 89 89 PHE N N 89 118.050 118.050 119.906 -1.856 18230 3356 1 7 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.077 0.133 18230 3357 1 7 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.853 -2.353 18230 3358 1 7 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.755 -0.268 18230 3359 1 7 . 1 1 89 89 PHE H H 89 7.924 7.924 8.302 -0.378 18230 3360 1 7 . 1 1 90 90 TRP N N 90 119.104 119.104 119.256 -0.152 18230 3361 1 7 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.396 0.080 18230 3362 1 7 . 1 1 90 90 TRP CA C 90 57.688 57.688 59.844 -2.156 18230 3363 1 7 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.344 -0.850 18230 3364 1 7 . 1 1 90 90 TRP H H 90 7.848 7.848 8.301 -0.453 18230 3365 1 7 . 1 1 91 91 GLU N N 91 120.457 120.457 118.224 2.233 18230 3366 1 7 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.403 -0.274 18230 3367 1 7 . 1 1 91 91 GLU CA C 91 57.039 57.039 56.166 0.873 18230 3368 1 7 . 1 1 91 91 GLU CB C 91 30.033 30.033 30.808 -0.775 18230 3369 1 7 . 1 1 91 91 GLU H H 91 7.816 7.816 8.098 -0.282 18230 3370 1 7 . 1 1 92 92 ASN N N 92 125.418 125.418 118.401 7.017 18230 3371 1 7 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.291 0.119 18230 3372 1 7 . 1 1 92 92 ASN CA C 92 54.731 54.731 53.217 1.514 18230 3373 1 7 . 1 1 92 92 ASN CB C 92 41.074 41.074 37.535 3.539 18230 3374 1 7 . 1 1 92 92 ASN H H 92 7.846 7.846 8.709 -0.863 18230 3375 1 8 . 1 1 2 2 SER HA H 2 4.757 4.757 4.563 0.194 18230 3376 1 8 . 1 1 2 2 SER CA C 2 57.482 57.482 58.684 -1.202 18230 3377 1 8 . 1 1 2 2 SER CB C 2 64.893 64.893 63.779 1.114 18230 3378 1 8 . 1 1 3 3 GLU N N 3 123.948 123.948 122.829 1.119 18230 3379 1 8 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.055 0.070 18230 3380 1 8 . 1 1 3 3 GLU C C 3 179.443 179.443 178.221 1.222 18230 3381 1 8 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.313 0.987 18230 3382 1 8 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.336 0.236 18230 3383 1 8 . 1 1 3 3 GLU H H 3 9.442 9.442 8.681 0.761 18230 3384 1 8 . 1 1 4 4 LEU N N 4 120.236 120.236 120.134 0.102 18230 3385 1 8 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.007 0.068 18230 3386 1 8 . 1 1 4 4 LEU CA C 4 58.091 58.091 58.067 0.024 18230 3387 1 8 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.901 0.601 18230 3388 1 8 . 1 1 4 4 LEU H H 4 8.907 8.907 7.847 1.060 18230 3389 1 8 . 1 1 5 5 GLU N N 5 119.034 119.034 118.756 0.278 18230 3390 1 8 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.018 -0.050 18230 3391 1 8 . 1 1 5 5 GLU C C 5 179.234 179.234 178.843 0.391 18230 3392 1 8 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.436 0.704 18230 3393 1 8 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.098 0.319 18230 3394 1 8 . 1 1 5 5 GLU H H 5 8.296 8.296 8.574 -0.278 18230 3395 1 8 . 1 1 6 6 THR N N 6 116.586 116.586 116.625 -0.039 18230 3396 1 8 . 1 1 6 6 THR HA H 6 4.008 4.008 4.054 -0.046 18230 3397 1 8 . 1 1 6 6 THR CA C 6 66.397 66.397 66.301 0.096 18230 3398 1 8 . 1 1 6 6 THR CB C 6 68.595 68.595 68.635 -0.040 18230 3399 1 8 . 1 1 6 6 THR H H 6 8.282 8.282 8.358 -0.076 18230 3400 1 8 . 1 1 7 7 ALA N N 7 126.275 126.275 124.724 1.551 18230 3401 1 8 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.106 0.077 18230 3402 1 8 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.002 0.611 18230 3403 1 8 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.259 -0.319 18230 3404 1 8 . 1 1 7 7 ALA H H 7 8.141 8.141 8.165 -0.024 18230 3405 1 8 . 1 1 8 8 MET N N 8 117.071 117.071 118.039 -0.968 18230 3406 1 8 . 1 1 8 8 MET HA H 8 3.834 3.834 3.996 -0.162 18230 3407 1 8 . 1 1 8 8 MET C C 8 177.846 177.846 178.808 -0.962 18230 3408 1 8 . 1 1 8 8 MET CA C 8 60.757 60.757 59.700 1.057 18230 3409 1 8 . 1 1 8 8 MET CB C 8 34.012 34.012 32.478 1.534 18230 3410 1 8 . 1 1 8 8 MET H H 8 8.269 8.269 8.236 0.033 18230 3411 1 8 . 1 1 9 9 GLU N N 9 117.667 117.667 118.969 -1.302 18230 3412 1 8 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.064 -0.136 18230 3413 1 8 . 1 1 9 9 GLU C C 9 178.933 178.933 179.194 -0.261 18230 3414 1 8 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.734 0.129 18230 3415 1 8 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.453 -0.192 18230 3416 1 8 . 1 1 9 9 GLU H H 9 8.105 8.105 8.431 -0.326 18230 3417 1 8 . 1 1 10 10 THR N N 10 118.326 118.326 118.134 0.192 18230 3418 1 8 . 1 1 10 10 THR HA H 10 4.075 4.075 4.046 0.029 18230 3419 1 8 . 1 1 10 10 THR CA C 10 67.311 67.311 66.995 0.316 18230 3420 1 8 . 1 1 10 10 THR CB C 10 67.934 67.934 68.684 -0.750 18230 3421 1 8 . 1 1 10 10 THR H H 10 8.407 8.407 8.113 0.294 18230 3422 1 8 . 1 1 11 11 LEU N N 11 119.765 119.765 121.976 -2.211 18230 3423 1 8 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.089 -0.161 18230 3424 1 8 . 1 1 11 11 LEU C C 11 180.896 180.896 179.088 1.808 18230 3425 1 8 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.373 0.908 18230 3426 1 8 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.418 0.182 18230 3427 1 8 . 1 1 11 11 LEU H H 11 8.131 8.131 8.301 -0.170 18230 3428 1 8 . 1 1 12 12 ILE N N 12 119.540 119.540 120.368 -0.828 18230 3429 1 8 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.822 0.133 18230 3430 1 8 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.834 -0.102 18230 3431 1 8 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.667 1.719 18230 3432 1 8 . 1 1 12 12 ILE H H 12 7.715 7.715 8.475 -0.760 18230 3433 1 8 . 1 1 13 13 ASN N N 13 121.587 121.587 118.507 3.080 18230 3434 1 8 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.543 -0.012 18230 3435 1 8 . 1 1 13 13 ASN C C 13 178.867 178.867 178.160 0.707 18230 3436 1 8 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.118 0.311 18230 3437 1 8 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.199 -0.137 18230 3438 1 8 . 1 1 13 13 ASN H H 13 9.040 9.040 8.617 0.423 18230 3439 1 8 . 1 1 14 14 VAL N N 14 120.603 120.603 118.211 2.392 18230 3440 1 8 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.916 -0.109 18230 3441 1 8 . 1 1 14 14 VAL C C 14 177.113 177.113 177.266 -0.153 18230 3442 1 8 . 1 1 14 14 VAL CA C 14 66.508 66.508 65.377 1.131 18230 3443 1 8 . 1 1 14 14 VAL CB C 14 31.597 31.597 30.491 1.106 18230 3444 1 8 . 1 1 14 14 VAL H H 14 8.954 8.954 8.262 0.692 18230 3445 1 8 . 1 1 15 15 PHE N N 15 117.585 117.585 121.746 -4.161 18230 3446 1 8 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.550 -0.091 18230 3447 1 8 . 1 1 15 15 PHE C C 15 177.257 177.257 176.416 0.841 18230 3448 1 8 . 1 1 15 15 PHE CA C 15 62.576 62.576 62.072 0.504 18230 3449 1 8 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.594 0.458 18230 3450 1 8 . 1 1 15 15 PHE H H 15 6.956 6.956 8.306 -1.350 18230 3451 1 8 . 1 1 16 16 HIS N N 16 115.204 115.204 119.840 -4.636 18230 3452 1 8 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.847 0.992 18230 3453 1 8 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.653 -1.175 18230 3454 1 8 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.991 -1.071 18230 3455 1 8 . 1 1 16 16 HIS H H 16 7.736 7.736 8.559 -0.823 18230 3456 1 8 . 1 1 17 17 ALA N N 17 123.201 123.201 122.080 1.121 18230 3457 1 8 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.863 0.173 18230 3458 1 8 . 1 1 17 17 ALA C C 17 178.867 178.867 179.680 -0.813 18230 3459 1 8 . 1 1 17 17 ALA CA C 17 54.145 54.145 55.037 -0.892 18230 3460 1 8 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.131 -0.470 18230 3461 1 8 . 1 1 17 17 ALA H H 17 8.066 8.066 8.029 0.037 18230 3462 1 8 . 1 1 18 18 HIS N N 18 113.974 113.974 116.900 -2.926 18230 3463 1 8 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.257 0.115 18230 3464 1 8 . 1 1 18 18 HIS C C 18 175.568 175.568 177.577 -2.009 18230 3465 1 8 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.173 -1.760 18230 3466 1 8 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.545 3.208 18230 3467 1 8 . 1 1 18 18 HIS H H 18 7.047 7.047 8.208 -1.161 18230 3468 1 8 . 1 1 19 19 SER N N 19 113.745 113.745 114.506 -0.761 18230 3469 1 8 . 1 1 19 19 SER HA H 19 3.658 3.658 4.032 -0.374 18230 3470 1 8 . 1 1 19 19 SER CA C 19 61.247 61.247 60.481 0.766 18230 3471 1 8 . 1 1 19 19 SER CB C 19 61.323 61.323 62.379 -1.056 18230 3472 1 8 . 1 1 19 19 SER H H 19 8.470 8.470 7.872 0.598 18230 3473 1 8 . 1 1 20 20 GLY N N 20 111.711 111.711 108.469 3.242 18230 3474 1 8 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.493 -0.111 18230 3475 1 8 . 1 1 20 20 GLY H H 20 7.739 7.739 7.425 0.314 18230 3476 1 8 . 1 1 21 21 LYS N N 21 122.328 122.328 120.994 1.334 18230 3477 1 8 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.888 0.026 18230 3478 1 8 . 1 1 21 21 LYS C C 21 177.192 177.192 176.911 0.281 18230 3479 1 8 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.167 1.169 18230 3480 1 8 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.675 0.013 18230 3481 1 8 . 1 1 21 21 LYS H H 21 7.200 7.200 7.448 -0.248 18230 3482 1 8 . 1 1 22 22 GLU N N 22 115.975 115.975 117.662 -1.687 18230 3483 1 8 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.325 0.332 18230 3484 1 8 . 1 1 22 22 GLU C C 22 175.882 175.882 175.192 0.690 18230 3485 1 8 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.304 -1.200 18230 3486 1 8 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.229 0.774 18230 3487 1 8 . 1 1 22 22 GLU H H 22 9.369 9.369 7.734 1.635 18230 3488 1 8 . 1 1 23 23 GLY CA C 23 45.836 45.836 44.569 1.267 18230 3489 1 8 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.846 0.430 18230 3490 1 8 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.643 -0.663 18230 3491 1 8 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.230 -1.022 18230 3492 1 8 . 1 1 26 26 TYR N N 26 119.825 119.825 116.691 3.134 18230 3493 1 8 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.823 -0.118 18230 3494 1 8 . 1 1 26 26 TYR C C 26 173.696 173.696 174.791 -1.095 18230 3495 1 8 . 1 1 26 26 TYR CA C 26 56.180 56.180 57.337 -1.157 18230 3496 1 8 . 1 1 26 26 TYR CB C 26 38.049 38.049 38.243 -0.194 18230 3497 1 8 . 1 1 26 26 TYR H H 26 9.414 9.414 7.854 1.560 18230 3498 1 8 . 1 1 27 27 LYS N N 27 114.922 114.922 120.249 -5.327 18230 3499 1 8 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.952 0.168 18230 3500 1 8 . 1 1 27 27 LYS C C 27 174.678 174.678 173.981 0.697 18230 3501 1 8 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.946 0.044 18230 3502 1 8 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.764 2.078 18230 3503 1 8 . 1 1 27 27 LYS H H 27 7.107 7.107 7.866 -0.759 18230 3504 1 8 . 1 1 28 28 LEU N N 28 125.976 125.976 126.403 -0.427 18230 3505 1 8 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.964 0.220 18230 3506 1 8 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.604 0.171 18230 3507 1 8 . 1 1 28 28 LEU CB C 28 43.037 43.037 46.367 -3.330 18230 3508 1 8 . 1 1 28 28 LEU H H 28 9.757 9.757 9.215 0.542 18230 3509 1 8 . 1 1 29 29 SER N N 29 121.025 121.025 120.623 0.402 18230 3510 1 8 . 1 1 29 29 SER HA H 29 4.558 4.558 4.788 -0.230 18230 3511 1 8 . 1 1 29 29 SER C C 29 174.338 174.338 175.449 -1.111 18230 3512 1 8 . 1 1 29 29 SER CA C 29 56.208 56.208 56.783 -0.575 18230 3513 1 8 . 1 1 29 29 SER CB C 29 65.480 65.480 65.961 -0.481 18230 3514 1 8 . 1 1 29 29 SER H H 29 9.908 9.908 8.158 1.750 18230 3515 1 8 . 1 1 30 30 LYS N N 30 120.385 120.385 123.735 -3.350 18230 3516 1 8 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.873 -0.026 18230 3517 1 8 . 1 1 30 30 LYS C C 30 177.859 177.859 178.247 -0.388 18230 3518 1 8 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.987 0.315 18230 3519 1 8 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.312 -0.301 18230 3520 1 8 . 1 1 30 30 LYS H H 30 8.845 8.845 9.023 -0.178 18230 3521 1 8 . 1 1 31 31 LYS N N 31 118.358 118.358 118.250 0.108 18230 3522 1 8 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.087 -0.186 18230 3523 1 8 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.079 0.534 18230 3524 1 8 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.384 1.615 18230 3525 1 8 . 1 1 31 31 LYS H H 31 7.924 7.924 8.256 -0.332 18230 3526 1 8 . 1 1 32 32 GLU N N 32 119.355 119.355 120.469 -1.114 18230 3527 1 8 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.080 -0.179 18230 3528 1 8 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.188 -0.350 18230 3529 1 8 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.741 0.922 18230 3530 1 8 . 1 1 32 32 GLU H H 32 7.502 7.502 7.526 -0.024 18230 3531 1 8 . 1 1 33 33 LEU N N 33 119.533 119.533 117.466 2.067 18230 3532 1 8 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.026 -0.118 18230 3533 1 8 . 1 1 33 33 LEU C C 33 177.571 177.571 178.633 -1.062 18230 3534 1 8 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.578 -0.803 18230 3535 1 8 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.041 0.448 18230 3536 1 8 . 1 1 33 33 LEU H H 33 9.076 9.076 8.664 0.412 18230 3537 1 8 . 1 1 34 34 LYS N N 34 119.251 119.251 119.208 0.043 18230 3538 1 8 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.944 -0.298 18230 3539 1 8 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.412 1.171 18230 3540 1 8 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.935 0.130 18230 3541 1 8 . 1 1 34 34 LYS H H 34 8.262 8.262 8.423 -0.161 18230 3542 1 8 . 1 1 35 35 GLU N N 35 117.642 117.642 119.432 -1.790 18230 3543 1 8 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.160 -0.165 18230 3544 1 8 . 1 1 35 35 GLU C C 35 178.776 178.776 178.962 -0.186 18230 3545 1 8 . 1 1 35 35 GLU CA C 35 59.586 59.586 58.789 0.797 18230 3546 1 8 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.556 -0.607 18230 3547 1 8 . 1 1 35 35 GLU H H 35 7.742 7.742 7.811 -0.069 18230 3548 1 8 . 1 1 36 36 LEU N N 36 124.753 124.753 122.674 2.079 18230 3549 1 8 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.038 -0.342 18230 3550 1 8 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.166 2.531 18230 3551 1 8 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.673 0.295 18230 3552 1 8 . 1 1 36 36 LEU H H 36 8.304 8.304 8.187 0.117 18230 3553 1 8 . 1 1 37 37 LEU N N 37 119.058 119.058 118.046 1.012 18230 3554 1 8 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.965 -0.238 18230 3555 1 8 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.062 0.250 18230 3556 1 8 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.882 0.918 18230 3557 1 8 . 1 1 37 37 LEU H H 37 8.684 8.684 8.357 0.327 18230 3558 1 8 . 1 1 38 38 GLN N N 38 114.728 114.728 116.171 -1.443 18230 3559 1 8 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.230 -0.289 18230 3560 1 8 . 1 1 38 38 GLN C C 38 177.584 177.584 178.089 -0.505 18230 3561 1 8 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.520 -0.042 18230 3562 1 8 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.936 0.091 18230 3563 1 8 . 1 1 38 38 GLN H H 38 8.510 8.510 7.671 0.839 18230 3564 1 8 . 1 1 39 39 THR N N 39 110.419 110.419 109.649 0.770 18230 3565 1 8 . 1 1 39 39 THR HA H 39 4.238 4.238 4.223 0.015 18230 3566 1 8 . 1 1 39 39 THR C C 39 176.341 176.341 175.654 0.687 18230 3567 1 8 . 1 1 39 39 THR CA C 39 64.874 64.874 64.775 0.099 18230 3568 1 8 . 1 1 39 39 THR CB C 39 69.919 69.919 69.592 0.327 18230 3569 1 8 . 1 1 39 39 THR H H 39 7.863 7.863 8.028 -0.165 18230 3570 1 8 . 1 1 40 40 GLU N N 40 117.514 117.514 120.719 -3.205 18230 3571 1 8 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.504 0.249 18230 3572 1 8 . 1 1 40 40 GLU C C 40 177.807 177.807 176.687 1.120 18230 3573 1 8 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.016 -0.534 18230 3574 1 8 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.105 0.684 18230 3575 1 8 . 1 1 40 40 GLU H H 40 8.468 8.468 8.116 0.352 18230 3576 1 8 . 1 1 41 41 LEU N N 41 121.141 121.141 121.483 -0.342 18230 3577 1 8 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.648 0.365 18230 3578 1 8 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.412 -1.582 18230 3579 1 8 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.081 0.542 18230 3580 1 8 . 1 1 41 41 LEU H H 41 7.682 7.682 8.263 -0.581 18230 3581 1 8 . 1 1 42 42 SER N N 42 116.557 116.557 117.812 -1.255 18230 3582 1 8 . 1 1 42 42 SER HA H 42 4.055 4.055 4.447 -0.392 18230 3583 1 8 . 1 1 42 42 SER C C 42 176.537 176.537 176.577 -0.040 18230 3584 1 8 . 1 1 42 42 SER CA C 42 61.552 61.552 60.114 1.438 18230 3585 1 8 . 1 1 42 42 SER CB C 42 62.783 62.783 63.954 -1.171 18230 3586 1 8 . 1 1 42 42 SER H H 42 8.186 8.186 8.829 -0.643 18230 3587 1 8 . 1 1 43 43 GLY N N 43 111.517 111.517 111.129 0.388 18230 3588 1 8 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.974 -0.927 18230 3589 1 8 . 1 1 43 43 GLY H H 43 8.880 8.880 8.876 0.004 18230 3590 1 8 . 1 1 44 44 PHE N N 44 122.405 122.405 119.283 3.122 18230 3591 1 8 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.262 0.095 18230 3592 1 8 . 1 1 44 44 PHE C C 44 176.851 176.851 177.359 -0.508 18230 3593 1 8 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.096 -1.261 18230 3594 1 8 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.639 0.981 18230 3595 1 8 . 1 1 44 44 PHE H H 44 7.972 7.972 8.111 -0.139 18230 3596 1 8 . 1 1 45 45 LEU N N 45 119.444 119.444 118.398 1.046 18230 3597 1 8 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.188 -0.259 18230 3598 1 8 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.804 -0.541 18230 3599 1 8 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.370 0.588 18230 3600 1 8 . 1 1 45 45 LEU H H 45 8.148 8.148 7.731 0.417 18230 3601 1 8 . 1 1 46 46 ASP N N 46 120.023 120.023 120.327 -0.304 18230 3602 1 8 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.360 0.016 18230 3603 1 8 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.533 -0.851 18230 3604 1 8 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.895 -0.107 18230 3605 1 8 . 1 1 46 46 ASP H H 46 8.307 8.307 8.420 -0.113 18230 3606 1 8 . 1 1 47 47 ALA N N 47 121.156 121.156 120.271 0.885 18230 3607 1 8 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.142 0.014 18230 3608 1 8 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.830 -0.916 18230 3609 1 8 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.953 -0.299 18230 3610 1 8 . 1 1 47 47 ALA H H 47 7.606 7.606 7.559 0.047 18230 3611 1 8 . 1 1 48 48 GLN N N 48 116.408 116.408 118.241 -1.833 18230 3612 1 8 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.441 -0.305 18230 3613 1 8 . 1 1 48 48 GLN C C 48 175.882 175.882 175.910 -0.028 18230 3614 1 8 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.854 0.508 18230 3615 1 8 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.734 -0.252 18230 3616 1 8 . 1 1 48 48 GLN H H 48 7.665 7.665 7.557 0.108 18230 3617 1 8 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.053 0.076 18230 3618 1 8 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.795 -1.089 18230 3619 1 8 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.719 -0.421 18230 3620 1 8 . 1 1 50 50 ASP N N 50 118.824 118.824 119.652 -0.828 18230 3621 1 8 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.650 -0.102 18230 3622 1 8 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.325 -0.360 18230 3623 1 8 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.416 0.619 18230 3624 1 8 . 1 1 50 50 ASP H H 50 7.982 7.982 8.045 -0.063 18230 3625 1 8 . 1 1 51 51 VAL N N 51 121.055 121.055 120.447 0.608 18230 3626 1 8 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.921 0.030 18230 3627 1 8 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.669 -1.013 18230 3628 1 8 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.877 0.123 18230 3629 1 8 . 1 1 51 51 VAL H H 51 8.231 8.231 8.430 -0.199 18230 3630 1 8 . 1 1 52 52 ASP N N 52 121.189 121.189 120.682 0.507 18230 3631 1 8 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.653 0.106 18230 3632 1 8 . 1 1 52 52 ASP C C 52 176.367 176.367 177.249 -0.882 18230 3633 1 8 . 1 1 52 52 ASP CA C 52 53.716 53.716 55.206 -1.490 18230 3634 1 8 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.256 1.143 18230 3635 1 8 . 1 1 52 52 ASP H H 52 8.410 8.410 8.699 -0.289 18230 3636 1 8 . 1 1 53 53 ALA N N 53 123.582 123.582 123.693 -0.111 18230 3637 1 8 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.052 -0.120 18230 3638 1 8 . 1 1 53 53 ALA C C 53 179.208 179.208 178.712 0.496 18230 3639 1 8 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.209 0.058 18230 3640 1 8 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.551 0.606 18230 3641 1 8 . 1 1 53 53 ALA H H 53 7.755 7.755 7.461 0.294 18230 3642 1 8 . 1 1 54 54 VAL N N 54 116.235 116.235 118.113 -1.878 18230 3643 1 8 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.638 -0.183 18230 3644 1 8 . 1 1 54 54 VAL C C 54 176.432 176.432 176.411 0.021 18230 3645 1 8 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.317 -0.072 18230 3646 1 8 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.623 -0.859 18230 3647 1 8 . 1 1 54 54 VAL H H 54 8.300 8.300 7.668 0.632 18230 3648 1 8 . 1 1 55 55 ASP N N 55 120.594 120.594 118.761 1.833 18230 3649 1 8 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.299 -0.144 18230 3650 1 8 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.794 -0.210 18230 3651 1 8 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.712 0.118 18230 3652 1 8 . 1 1 55 55 ASP H H 55 7.684 7.684 7.661 0.023 18230 3653 1 8 . 1 1 56 56 LYS N N 56 119.178 119.178 118.689 0.489 18230 3654 1 8 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.071 -0.143 18230 3655 1 8 . 1 1 56 56 LYS C C 56 178.697 178.697 179.261 -0.564 18230 3656 1 8 . 1 1 56 56 LYS CA C 56 59.503 59.503 58.688 0.815 18230 3657 1 8 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.163 0.127 18230 3658 1 8 . 1 1 56 56 LYS H H 56 7.638 7.638 7.994 -0.356 18230 3659 1 8 . 1 1 57 57 VAL N N 57 119.870 119.870 119.631 0.239 18230 3660 1 8 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.654 0.070 18230 3661 1 8 . 1 1 57 57 VAL C C 57 177.558 177.558 178.218 -0.660 18230 3662 1 8 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.637 -0.711 18230 3663 1 8 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.884 -0.737 18230 3664 1 8 . 1 1 57 57 VAL H H 57 7.928 7.928 8.120 -0.192 18230 3665 1 8 . 1 1 58 58 MET N N 58 118.736 118.736 117.491 1.245 18230 3666 1 8 . 1 1 58 58 MET HA H 58 3.928 3.928 4.128 -0.200 18230 3667 1 8 . 1 1 58 58 MET C C 58 177.021 177.021 177.736 -0.715 18230 3668 1 8 . 1 1 58 58 MET CA C 58 58.534 58.534 59.130 -0.596 18230 3669 1 8 . 1 1 58 58 MET CB C 58 32.065 32.065 32.035 0.030 18230 3670 1 8 . 1 1 58 58 MET H H 58 8.443 8.443 8.291 0.152 18230 3671 1 8 . 1 1 59 59 LYS N N 59 116.214 116.214 118.040 -1.826 18230 3672 1 8 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.954 0.014 18230 3673 1 8 . 1 1 59 59 LYS C C 59 178.893 178.893 178.287 0.606 18230 3674 1 8 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.571 -0.704 18230 3675 1 8 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.987 0.078 18230 3676 1 8 . 1 1 59 59 LYS H H 59 7.629 7.629 7.599 0.029 18230 3677 1 8 . 1 1 60 60 GLU N N 60 117.288 117.288 118.142 -0.854 18230 3678 1 8 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.135 -0.100 18230 3679 1 8 . 1 1 60 60 GLU C C 60 178.173 178.173 178.330 -0.157 18230 3680 1 8 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.325 -0.096 18230 3681 1 8 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.675 0.131 18230 3682 1 8 . 1 1 60 60 GLU H H 60 7.599 7.599 7.835 -0.236 18230 3683 1 8 . 1 1 61 61 LEU N N 61 116.163 116.163 116.692 -0.529 18230 3684 1 8 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.148 0.222 18230 3685 1 8 . 1 1 61 61 LEU C C 61 178.893 178.893 177.616 1.277 18230 3686 1 8 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.340 -1.101 18230 3687 1 8 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.325 1.616 18230 3688 1 8 . 1 1 61 61 LEU H H 61 8.060 8.060 7.232 0.828 18230 3689 1 8 . 1 1 62 62 ASP N N 62 116.934 116.934 117.903 -0.969 18230 3690 1 8 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.912 -0.246 18230 3691 1 8 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.770 -0.525 18230 3692 1 8 . 1 1 62 62 ASP CB C 62 39.009 39.009 40.792 -1.783 18230 3693 1 8 . 1 1 62 62 ASP H H 62 8.012 8.012 8.063 -0.051 18230 3694 1 8 . 1 1 63 63 GLU N N 63 129.388 129.388 126.856 2.532 18230 3695 1 8 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.049 -0.027 18230 3696 1 8 . 1 1 63 63 GLU C C 63 177.519 177.519 177.799 -0.280 18230 3697 1 8 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.639 0.033 18230 3698 1 8 . 1 1 63 63 GLU CB C 63 30.507 30.507 30.008 0.499 18230 3699 1 8 . 1 1 63 63 GLU H H 63 8.356 8.356 8.208 0.148 18230 3700 1 8 . 1 1 64 64 ASN N N 64 112.751 112.751 117.790 -5.039 18230 3701 1 8 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.559 0.174 18230 3702 1 8 . 1 1 64 64 ASN C C 64 176.498 176.498 175.887 0.611 18230 3703 1 8 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.537 -2.648 18230 3704 1 8 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.811 -1.639 18230 3705 1 8 . 1 1 64 64 ASN H H 64 7.997 7.997 8.124 -0.127 18230 3706 1 8 . 1 1 65 65 GLY N N 65 109.265 109.265 105.173 4.092 18230 3707 1 8 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.323 2.080 18230 3708 1 8 . 1 1 65 65 GLY H H 65 7.552 7.552 8.817 -1.265 18230 3709 1 8 . 1 1 66 66 ASP N N 66 119.331 119.331 120.361 -1.030 18230 3710 1 8 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.437 0.095 18230 3711 1 8 . 1 1 66 66 ASP CA C 66 53.190 53.190 54.384 -1.194 18230 3712 1 8 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.672 -0.429 18230 3713 1 8 . 1 1 66 66 ASP H H 66 8.124 8.124 7.711 0.413 18230 3714 1 8 . 1 1 67 67 GLY N N 67 113.348 113.348 108.196 5.152 18230 3715 1 8 . 1 1 67 67 GLY CA C 67 45.604 45.604 44.751 0.853 18230 3716 1 8 . 1 1 67 67 GLY H H 67 10.285 10.285 9.228 1.057 18230 3717 1 8 . 1 1 68 68 GLU N N 68 117.060 117.060 121.022 -3.962 18230 3718 1 8 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.598 0.203 18230 3719 1 8 . 1 1 68 68 GLU C C 68 175.176 175.176 175.428 -0.252 18230 3720 1 8 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.951 -0.441 18230 3721 1 8 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.355 3.868 18230 3722 1 8 . 1 1 68 68 GLU H H 68 7.732 7.732 8.923 -1.191 18230 3723 1 8 . 1 1 69 69 VAL N N 69 125.264 125.264 124.665 0.599 18230 3724 1 8 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.679 0.561 18230 3725 1 8 . 1 1 69 69 VAL C C 69 175.961 175.961 174.978 0.983 18230 3726 1 8 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.501 0.643 18230 3727 1 8 . 1 1 69 69 VAL CB C 69 33.685 33.685 32.950 0.735 18230 3728 1 8 . 1 1 69 69 VAL H H 69 9.392 9.392 8.758 0.633 18230 3729 1 8 . 1 1 70 70 ASP N N 70 129.378 129.378 125.869 3.509 18230 3730 1 8 . 1 1 70 70 ASP HA H 70 5.161 5.161 5.025 0.136 18230 3731 1 8 . 1 1 70 70 ASP C C 70 175.032 175.032 176.999 -1.967 18230 3732 1 8 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.347 0.068 18230 3733 1 8 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.839 -2.000 18230 3734 1 8 . 1 1 70 70 ASP H H 70 9.112 9.112 7.969 1.143 18230 3735 1 8 . 1 1 71 71 PHE N N 71 118.452 118.452 123.649 -5.197 18230 3736 1 8 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.085 -0.172 18230 3737 1 8 . 1 1 71 71 PHE C C 71 176.576 176.576 176.785 -0.209 18230 3738 1 8 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.766 2.668 18230 3739 1 8 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.894 0.337 18230 3740 1 8 . 1 1 71 71 PHE H H 71 8.948 8.948 8.568 0.380 18230 3741 1 8 . 1 1 72 72 GLN N N 72 116.934 116.934 117.678 -0.744 18230 3742 1 8 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.825 -0.137 18230 3743 1 8 . 1 1 72 72 GLN C C 72 178.056 178.056 178.275 -0.219 18230 3744 1 8 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.718 -0.125 18230 3745 1 8 . 1 1 72 72 GLN CB C 72 28.164 28.164 27.889 0.275 18230 3746 1 8 . 1 1 72 72 GLN H H 72 8.012 8.012 8.740 -0.728 18230 3747 1 8 . 1 1 73 73 GLU N N 73 120.208 120.208 120.398 -0.190 18230 3748 1 8 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.041 0.025 18230 3749 1 8 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.545 -1.040 18230 3750 1 8 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.446 0.671 18230 3751 1 8 . 1 1 73 73 GLU H H 73 8.308 8.308 7.648 0.660 18230 3752 1 8 . 1 1 74 74 TYR N N 74 121.623 121.623 121.561 0.062 18230 3753 1 8 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.172 -0.083 18230 3754 1 8 . 1 1 74 74 TYR C C 74 176.485 176.485 177.532 -1.047 18230 3755 1 8 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.742 -2.267 18230 3756 1 8 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.709 -0.703 18230 3757 1 8 . 1 1 74 74 TYR H H 74 8.339 8.339 8.641 -0.302 18230 3758 1 8 . 1 1 75 75 VAL N N 75 120.827 120.827 119.408 1.419 18230 3759 1 8 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.589 -0.715 18230 3760 1 8 . 1 1 75 75 VAL C C 75 176.563 176.563 177.601 -1.038 18230 3761 1 8 . 1 1 75 75 VAL CA C 75 66.354 66.354 67.105 -0.751 18230 3762 1 8 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.967 -1.316 18230 3763 1 8 . 1 1 75 75 VAL H H 75 8.088 8.088 8.377 -0.289 18230 3764 1 8 . 1 1 76 76 VAL N N 76 120.216 120.216 118.195 2.021 18230 3765 1 8 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.660 -0.245 18230 3766 1 8 . 1 1 76 76 VAL C C 76 178.645 178.645 177.278 1.367 18230 3767 1 8 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.279 0.579 18230 3768 1 8 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.226 0.074 18230 3769 1 8 . 1 1 76 76 VAL H H 76 7.132 7.132 7.967 -0.835 18230 3770 1 8 . 1 1 77 77 LEU N N 77 120.900 120.900 121.500 -0.600 18230 3771 1 8 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.929 0.099 18230 3772 1 8 . 1 1 77 77 LEU C C 77 177.362 177.362 178.399 -1.037 18230 3773 1 8 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.219 -0.544 18230 3774 1 8 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.502 -0.947 18230 3775 1 8 . 1 1 77 77 LEU H H 77 6.860 6.860 7.924 -1.064 18230 3776 1 8 . 1 1 78 78 VAL N N 78 116.991 116.991 115.836 1.155 18230 3777 1 8 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.430 -0.307 18230 3778 1 8 . 1 1 78 78 VAL C C 78 179.142 179.142 177.871 1.271 18230 3779 1 8 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.878 0.950 18230 3780 1 8 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.484 0.817 18230 3781 1 8 . 1 1 78 78 VAL H H 78 7.519 7.519 7.975 -0.456 18230 3782 1 8 . 1 1 79 79 ALA N N 79 124.679 124.679 123.697 0.982 18230 3783 1 8 . 1 1 79 79 ALA HA H 79 3.687 3.687 3.978 -0.291 18230 3784 1 8 . 1 1 79 79 ALA C C 79 178.213 178.213 179.035 -0.822 18230 3785 1 8 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.930 1.078 18230 3786 1 8 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.328 -0.511 18230 3787 1 8 . 1 1 79 79 ALA H H 79 8.964 8.964 8.213 0.751 18230 3788 1 8 . 1 1 80 80 ALA N N 80 120.376 120.376 121.423 -1.047 18230 3789 1 8 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.032 0.002 18230 3790 1 8 . 1 1 80 80 ALA C C 80 181.852 181.852 179.586 2.266 18230 3791 1 8 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.955 0.328 18230 3792 1 8 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.303 -0.503 18230 3793 1 8 . 1 1 80 80 ALA H H 80 7.794 7.794 8.351 -0.557 18230 3794 1 8 . 1 1 81 81 LEU N N 81 119.275 119.275 118.441 0.834 18230 3795 1 8 . 1 1 81 81 LEU HA H 81 4.040 4.040 3.899 0.141 18230 3796 1 8 . 1 1 81 81 LEU C C 81 179.168 179.168 179.216 -0.048 18230 3797 1 8 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.963 -0.618 18230 3798 1 8 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.001 0.644 18230 3799 1 8 . 1 1 81 81 LEU H H 81 8.494 8.494 8.269 0.225 18230 3800 1 8 . 1 1 82 82 THR N N 82 119.781 119.781 116.175 3.606 18230 3801 1 8 . 1 1 82 82 THR HA H 82 3.800 3.800 3.866 -0.066 18230 3802 1 8 . 1 1 82 82 THR CA C 82 68.473 68.473 66.796 1.677 18230 3803 1 8 . 1 1 82 82 THR CB C 82 67.796 67.796 68.182 -0.386 18230 3804 1 8 . 1 1 82 82 THR H H 82 8.418 8.418 7.866 0.552 18230 3805 1 8 . 1 1 83 83 VAL N N 83 122.419 122.419 121.336 1.083 18230 3806 1 8 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.668 0.034 18230 3807 1 8 . 1 1 83 83 VAL C C 83 177.781 177.781 176.776 1.005 18230 3808 1 8 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.793 1.518 18230 3809 1 8 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.382 0.293 18230 3810 1 8 . 1 1 83 83 VAL H H 83 8.164 8.164 8.172 -0.008 18230 3811 1 8 . 1 1 84 84 ALA N N 84 121.470 121.470 121.627 -0.157 18230 3812 1 8 . 1 1 84 84 ALA HA H 84 4.148 4.148 3.985 0.163 18230 3813 1 8 . 1 1 84 84 ALA C C 84 180.032 180.032 179.072 0.960 18230 3814 1 8 . 1 1 84 84 ALA CA C 84 55.105 55.105 54.941 0.164 18230 3815 1 8 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.561 0.237 18230 3816 1 8 . 1 1 84 84 ALA H H 84 7.877 7.877 8.257 -0.380 18230 3817 1 8 . 1 1 85 85 CYS N N 85 117.473 117.473 118.614 -1.141 18230 3818 1 8 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.027 0.397 18230 3819 1 8 . 1 1 85 85 CYS C C 85 176.092 176.092 176.751 -0.659 18230 3820 1 8 . 1 1 85 85 CYS CA C 85 57.980 57.980 62.772 -4.792 18230 3821 1 8 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.008 14.547 18230 3822 1 8 . 1 1 85 85 CYS H H 85 8.370 8.370 8.136 0.234 18230 3823 1 8 . 1 1 86 86 ASN N N 86 119.886 119.886 118.669 1.217 18230 3824 1 8 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.506 -0.270 18230 3825 1 8 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.821 0.439 18230 3826 1 8 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.446 1.232 18230 3827 1 8 . 1 1 87 87 ASN N N 87 117.136 117.136 119.136 -2.000 18230 3828 1 8 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.627 -0.227 18230 3829 1 8 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.247 -1.215 18230 3830 1 8 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.086 -0.257 18230 3831 1 8 . 1 1 87 87 ASN H H 87 8.136 8.136 8.514 -0.378 18230 3832 1 8 . 1 1 88 88 PHE N N 88 119.001 119.001 120.362 -1.361 18230 3833 1 8 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.441 -0.151 18230 3834 1 8 . 1 1 88 88 PHE CA C 88 59.697 59.697 59.309 0.388 18230 3835 1 8 . 1 1 88 88 PHE CB C 88 39.206 39.206 38.502 0.704 18230 3836 1 8 . 1 1 88 88 PHE H H 88 7.865 7.865 8.269 -0.404 18230 3837 1 8 . 1 1 89 89 PHE N N 89 118.050 118.050 119.341 -1.291 18230 3838 1 8 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.211 -0.001 18230 3839 1 8 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.205 -1.705 18230 3840 1 8 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.646 -0.159 18230 3841 1 8 . 1 1 89 89 PHE H H 89 7.924 7.924 8.206 -0.282 18230 3842 1 8 . 1 1 90 90 TRP N N 90 119.104 119.104 119.774 -0.670 18230 3843 1 8 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.393 0.083 18230 3844 1 8 . 1 1 90 90 TRP CA C 90 57.688 57.688 59.972 -2.284 18230 3845 1 8 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.612 -1.118 18230 3846 1 8 . 1 1 90 90 TRP H H 90 7.848 7.848 8.465 -0.617 18230 3847 1 8 . 1 1 91 91 GLU N N 91 120.457 120.457 118.743 1.714 18230 3848 1 8 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.580 -0.451 18230 3849 1 8 . 1 1 91 91 GLU CA C 91 57.039 57.039 54.998 2.041 18230 3850 1 8 . 1 1 91 91 GLU CB C 91 30.033 30.033 32.097 -2.064 18230 3851 1 8 . 1 1 91 91 GLU H H 91 7.816 7.816 8.186 -0.370 18230 3852 1 8 . 1 1 92 92 ASN N N 92 125.418 125.418 121.777 3.641 18230 3853 1 8 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.794 -0.384 18230 3854 1 8 . 1 1 92 92 ASN CA C 92 54.731 54.731 53.191 1.540 18230 3855 1 8 . 1 1 92 92 ASN CB C 92 41.074 41.074 40.386 0.688 18230 3856 1 8 . 1 1 92 92 ASN H H 92 7.846 7.846 8.468 -0.622 18230 3857 1 9 . 1 1 2 2 SER HA H 2 4.757 4.757 4.169 0.588 18230 3858 1 9 . 1 1 2 2 SER CA C 2 57.482 57.482 58.845 -1.363 18230 3859 1 9 . 1 1 2 2 SER CB C 2 64.893 64.893 63.302 1.591 18230 3860 1 9 . 1 1 3 3 GLU N N 3 123.948 123.948 121.302 2.646 18230 3861 1 9 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.075 0.050 18230 3862 1 9 . 1 1 3 3 GLU C C 3 179.443 179.443 178.802 0.641 18230 3863 1 9 . 1 1 3 3 GLU CA C 3 60.300 60.300 58.947 1.353 18230 3864 1 9 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.635 -0.063 18230 3865 1 9 . 1 1 3 3 GLU H H 3 9.442 9.442 8.606 0.836 18230 3866 1 9 . 1 1 4 4 LEU N N 4 120.236 120.236 120.401 -0.165 18230 3867 1 9 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.111 -0.036 18230 3868 1 9 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.910 0.181 18230 3869 1 9 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.310 1.192 18230 3870 1 9 . 1 1 4 4 LEU H H 4 8.907 8.907 7.991 0.916 18230 3871 1 9 . 1 1 5 5 GLU N N 5 119.034 119.034 118.758 0.276 18230 3872 1 9 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.030 -0.062 18230 3873 1 9 . 1 1 5 5 GLU C C 5 179.234 179.234 179.175 0.059 18230 3874 1 9 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.821 0.319 18230 3875 1 9 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.259 0.157 18230 3876 1 9 . 1 1 5 5 GLU H H 5 8.296 8.296 8.608 -0.312 18230 3877 1 9 . 1 1 6 6 THR N N 6 116.586 116.586 116.524 0.062 18230 3878 1 9 . 1 1 6 6 THR HA H 6 4.008 4.008 4.042 -0.034 18230 3879 1 9 . 1 1 6 6 THR CA C 6 66.397 66.397 66.281 0.116 18230 3880 1 9 . 1 1 6 6 THR CB C 6 68.595 68.595 68.597 -0.003 18230 3881 1 9 . 1 1 6 6 THR H H 6 8.282 8.282 7.978 0.304 18230 3882 1 9 . 1 1 7 7 ALA N N 7 126.275 126.275 124.629 1.646 18230 3883 1 9 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.121 0.062 18230 3884 1 9 . 1 1 7 7 ALA CA C 7 55.613 55.613 54.983 0.630 18230 3885 1 9 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.259 -0.319 18230 3886 1 9 . 1 1 7 7 ALA H H 7 8.141 8.141 8.139 0.002 18230 3887 1 9 . 1 1 8 8 MET N N 8 117.071 117.071 118.077 -1.006 18230 3888 1 9 . 1 1 8 8 MET HA H 8 3.834 3.834 3.999 -0.165 18230 3889 1 9 . 1 1 8 8 MET C C 8 177.846 177.846 178.781 -0.935 18230 3890 1 9 . 1 1 8 8 MET CA C 8 60.757 60.757 59.710 1.047 18230 3891 1 9 . 1 1 8 8 MET CB C 8 34.012 34.012 32.455 1.557 18230 3892 1 9 . 1 1 8 8 MET H H 8 8.269 8.269 8.263 0.006 18230 3893 1 9 . 1 1 9 9 GLU N N 9 117.667 117.667 118.771 -1.104 18230 3894 1 9 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.040 -0.112 18230 3895 1 9 . 1 1 9 9 GLU C C 9 178.933 178.933 179.209 -0.276 18230 3896 1 9 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.802 0.061 18230 3897 1 9 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.407 -0.146 18230 3898 1 9 . 1 1 9 9 GLU H H 9 8.105 8.105 8.393 -0.288 18230 3899 1 9 . 1 1 10 10 THR N N 10 118.326 118.326 117.648 0.678 18230 3900 1 9 . 1 1 10 10 THR HA H 10 4.075 4.075 4.099 -0.024 18230 3901 1 9 . 1 1 10 10 THR CA C 10 67.311 67.311 66.816 0.495 18230 3902 1 9 . 1 1 10 10 THR CB C 10 67.934 67.934 68.494 -0.560 18230 3903 1 9 . 1 1 10 10 THR H H 10 8.407 8.407 8.196 0.211 18230 3904 1 9 . 1 1 11 11 LEU N N 11 119.765 119.765 121.805 -2.040 18230 3905 1 9 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.101 -0.173 18230 3906 1 9 . 1 1 11 11 LEU C C 11 180.896 180.896 179.233 1.663 18230 3907 1 9 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.370 0.911 18230 3908 1 9 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.338 0.262 18230 3909 1 9 . 1 1 11 11 LEU H H 11 8.131 8.131 8.354 -0.223 18230 3910 1 9 . 1 1 12 12 ILE N N 12 119.540 119.540 120.372 -0.832 18230 3911 1 9 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.802 0.153 18230 3912 1 9 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.809 -0.077 18230 3913 1 9 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.641 1.745 18230 3914 1 9 . 1 1 12 12 ILE H H 12 7.715 7.715 8.475 -0.760 18230 3915 1 9 . 1 1 13 13 ASN N N 13 121.587 121.587 118.699 2.888 18230 3916 1 9 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.535 -0.004 18230 3917 1 9 . 1 1 13 13 ASN C C 13 178.867 178.867 178.221 0.646 18230 3918 1 9 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.250 0.179 18230 3919 1 9 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.301 -0.239 18230 3920 1 9 . 1 1 13 13 ASN H H 13 9.040 9.040 8.437 0.603 18230 3921 1 9 . 1 1 14 14 VAL N N 14 120.603 120.603 117.919 2.684 18230 3922 1 9 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.822 -0.015 18230 3923 1 9 . 1 1 14 14 VAL C C 14 177.113 177.113 177.321 -0.208 18230 3924 1 9 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.433 0.075 18230 3925 1 9 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.526 0.071 18230 3926 1 9 . 1 1 14 14 VAL H H 14 8.954 8.954 8.218 0.736 18230 3927 1 9 . 1 1 15 15 PHE N N 15 117.585 117.585 121.565 -3.980 18230 3928 1 9 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.598 -0.139 18230 3929 1 9 . 1 1 15 15 PHE C C 15 177.257 177.257 176.550 0.707 18230 3930 1 9 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.811 0.765 18230 3931 1 9 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.479 0.573 18230 3932 1 9 . 1 1 15 15 PHE H H 15 6.956 6.956 8.342 -1.386 18230 3933 1 9 . 1 1 16 16 HIS N N 16 115.204 115.204 119.791 -4.587 18230 3934 1 9 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.888 0.951 18230 3935 1 9 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.078 -0.600 18230 3936 1 9 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.597 -0.677 18230 3937 1 9 . 1 1 16 16 HIS H H 16 7.736 7.736 8.557 -0.821 18230 3938 1 9 . 1 1 17 17 ALA N N 17 123.201 123.201 121.783 1.418 18230 3939 1 9 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.794 0.242 18230 3940 1 9 . 1 1 17 17 ALA C C 17 178.867 178.867 179.656 -0.789 18230 3941 1 9 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.917 -0.772 18230 3942 1 9 . 1 1 17 17 ALA CB C 17 17.661 17.661 17.970 -0.308 18230 3943 1 9 . 1 1 17 17 ALA H H 17 8.066 8.066 7.943 0.123 18230 3944 1 9 . 1 1 18 18 HIS N N 18 113.974 113.974 116.629 -2.655 18230 3945 1 9 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.172 0.200 18230 3946 1 9 . 1 1 18 18 HIS C C 18 175.568 175.568 177.564 -1.996 18230 3947 1 9 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.356 -1.943 18230 3948 1 9 . 1 1 18 18 HIS CB C 18 32.753 32.753 30.084 2.669 18230 3949 1 9 . 1 1 18 18 HIS H H 18 7.047 7.047 8.254 -1.207 18230 3950 1 9 . 1 1 19 19 SER N N 19 113.745 113.745 114.507 -0.762 18230 3951 1 9 . 1 1 19 19 SER HA H 19 3.658 3.658 4.166 -0.508 18230 3952 1 9 . 1 1 19 19 SER CA C 19 61.247 61.247 60.570 0.677 18230 3953 1 9 . 1 1 19 19 SER CB C 19 61.323 61.323 62.323 -1.000 18230 3954 1 9 . 1 1 19 19 SER H H 19 8.470 8.470 7.975 0.495 18230 3955 1 9 . 1 1 20 20 GLY N N 20 111.711 111.711 108.793 2.918 18230 3956 1 9 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.650 -0.268 18230 3957 1 9 . 1 1 20 20 GLY H H 20 7.739 7.739 7.464 0.275 18230 3958 1 9 . 1 1 21 21 LYS N N 21 122.328 122.328 120.480 1.848 18230 3959 1 9 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.899 0.015 18230 3960 1 9 . 1 1 21 21 LYS C C 21 177.192 177.192 177.080 0.112 18230 3961 1 9 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.157 1.180 18230 3962 1 9 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.634 0.054 18230 3963 1 9 . 1 1 21 21 LYS H H 21 7.200 7.200 7.435 -0.235 18230 3964 1 9 . 1 1 22 22 GLU N N 22 115.975 115.975 117.376 -1.401 18230 3965 1 9 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.425 0.232 18230 3966 1 9 . 1 1 22 22 GLU C C 22 175.882 175.882 175.927 -0.045 18230 3967 1 9 . 1 1 22 22 GLU CA C 22 54.104 54.104 54.834 -0.730 18230 3968 1 9 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.624 0.379 18230 3969 1 9 . 1 1 22 22 GLU H H 22 9.369 9.369 7.719 1.650 18230 3970 1 9 . 1 1 23 23 GLY CA C 23 45.836 45.836 44.931 0.905 18230 3971 1 9 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.873 0.403 18230 3972 1 9 . 1 1 25 25 LYS CA C 25 57.980 57.980 59.202 -1.222 18230 3973 1 9 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.497 -1.289 18230 3974 1 9 . 1 1 26 26 TYR N N 26 119.825 119.825 114.332 5.493 18230 3975 1 9 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.795 -0.090 18230 3976 1 9 . 1 1 26 26 TYR C C 26 173.696 173.696 175.294 -1.598 18230 3977 1 9 . 1 1 26 26 TYR CA C 26 56.180 56.180 58.145 -1.965 18230 3978 1 9 . 1 1 26 26 TYR CB C 26 38.049 38.049 37.853 0.196 18230 3979 1 9 . 1 1 26 26 TYR H H 26 9.414 9.414 8.056 1.358 18230 3980 1 9 . 1 1 27 27 LYS N N 27 114.922 114.922 120.013 -5.091 18230 3981 1 9 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.934 0.186 18230 3982 1 9 . 1 1 27 27 LYS C C 27 174.678 174.678 174.056 0.622 18230 3983 1 9 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.990 -0.000 18230 3984 1 9 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.883 1.958 18230 3985 1 9 . 1 1 27 27 LYS H H 27 7.107 7.107 7.975 -0.868 18230 3986 1 9 . 1 1 28 28 LEU N N 28 125.976 125.976 126.223 -0.247 18230 3987 1 9 . 1 1 28 28 LEU HA H 28 5.184 5.184 5.015 0.169 18230 3988 1 9 . 1 1 28 28 LEU CA C 28 52.775 52.775 53.236 -0.461 18230 3989 1 9 . 1 1 28 28 LEU CB C 28 43.037 43.037 46.052 -3.015 18230 3990 1 9 . 1 1 28 28 LEU H H 28 9.757 9.757 9.258 0.499 18230 3991 1 9 . 1 1 29 29 SER N N 29 121.025 121.025 119.339 1.686 18230 3992 1 9 . 1 1 29 29 SER HA H 29 4.558 4.558 4.745 -0.187 18230 3993 1 9 . 1 1 29 29 SER C C 29 174.338 174.338 175.199 -0.861 18230 3994 1 9 . 1 1 29 29 SER CA C 29 56.208 56.208 55.819 0.389 18230 3995 1 9 . 1 1 29 29 SER CB C 29 65.480 65.480 65.001 0.479 18230 3996 1 9 . 1 1 29 29 SER H H 29 9.908 9.908 8.176 1.732 18230 3997 1 9 . 1 1 30 30 LYS N N 30 120.385 120.385 126.612 -6.227 18230 3998 1 9 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.932 -0.085 18230 3999 1 9 . 1 1 30 30 LYS C C 30 177.859 177.859 178.371 -0.512 18230 4000 1 9 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.751 0.551 18230 4001 1 9 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.493 -0.482 18230 4002 1 9 . 1 1 30 30 LYS H H 30 8.845 8.845 9.110 -0.265 18230 4003 1 9 . 1 1 31 31 LYS N N 31 118.358 118.358 117.756 0.602 18230 4004 1 9 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.078 -0.177 18230 4005 1 9 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.511 0.102 18230 4006 1 9 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.638 1.361 18230 4007 1 9 . 1 1 31 31 LYS H H 31 7.924 7.924 8.042 -0.118 18230 4008 1 9 . 1 1 32 32 GLU N N 32 119.355 119.355 119.549 -0.194 18230 4009 1 9 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.165 -0.264 18230 4010 1 9 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.263 -0.425 18230 4011 1 9 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.578 1.085 18230 4012 1 9 . 1 1 32 32 GLU H H 32 7.502 7.502 8.010 -0.508 18230 4013 1 9 . 1 1 33 33 LEU N N 33 119.533 119.533 118.079 1.454 18230 4014 1 9 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.061 -0.153 18230 4015 1 9 . 1 1 33 33 LEU C C 33 177.571 177.571 178.702 -1.131 18230 4016 1 9 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.548 -0.773 18230 4017 1 9 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.113 0.376 18230 4018 1 9 . 1 1 33 33 LEU H H 33 9.076 9.076 8.753 0.323 18230 4019 1 9 . 1 1 34 34 LYS N N 34 119.251 119.251 119.403 -0.152 18230 4020 1 9 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.918 -0.272 18230 4021 1 9 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.369 1.214 18230 4022 1 9 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.974 0.091 18230 4023 1 9 . 1 1 34 34 LYS H H 34 8.262 8.262 8.447 -0.185 18230 4024 1 9 . 1 1 35 35 GLU N N 35 117.642 117.642 119.745 -2.103 18230 4025 1 9 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.135 -0.140 18230 4026 1 9 . 1 1 35 35 GLU C C 35 178.776 178.776 178.915 -0.139 18230 4027 1 9 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.079 0.507 18230 4028 1 9 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.844 -0.895 18230 4029 1 9 . 1 1 35 35 GLU H H 35 7.742 7.742 7.825 -0.083 18230 4030 1 9 . 1 1 36 36 LEU N N 36 124.753 124.753 122.385 2.368 18230 4031 1 9 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.135 -0.439 18230 4032 1 9 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.205 2.492 18230 4033 1 9 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.676 0.292 18230 4034 1 9 . 1 1 36 36 LEU H H 36 8.304 8.304 8.121 0.183 18230 4035 1 9 . 1 1 37 37 LEU N N 37 119.058 119.058 118.054 1.004 18230 4036 1 9 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.968 -0.241 18230 4037 1 9 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.007 0.305 18230 4038 1 9 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.881 0.919 18230 4039 1 9 . 1 1 37 37 LEU H H 37 8.684 8.684 8.333 0.351 18230 4040 1 9 . 1 1 38 38 GLN N N 38 114.728 114.728 117.401 -2.673 18230 4041 1 9 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.241 -0.300 18230 4042 1 9 . 1 1 38 38 GLN C C 38 177.584 177.584 178.590 -1.006 18230 4043 1 9 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.537 -0.059 18230 4044 1 9 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.968 0.059 18230 4045 1 9 . 1 1 38 38 GLN H H 38 8.510 8.510 7.790 0.720 18230 4046 1 9 . 1 1 39 39 THR N N 39 110.419 110.419 110.060 0.359 18230 4047 1 9 . 1 1 39 39 THR HA H 39 4.238 4.238 4.148 0.090 18230 4048 1 9 . 1 1 39 39 THR C C 39 176.341 176.341 176.174 0.167 18230 4049 1 9 . 1 1 39 39 THR CA C 39 64.874 64.874 64.789 0.085 18230 4050 1 9 . 1 1 39 39 THR CB C 39 69.919 69.919 69.368 0.551 18230 4051 1 9 . 1 1 39 39 THR H H 39 7.863 7.863 8.021 -0.158 18230 4052 1 9 . 1 1 40 40 GLU N N 40 117.514 117.514 120.144 -2.630 18230 4053 1 9 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.485 0.268 18230 4054 1 9 . 1 1 40 40 GLU C C 40 177.807 177.807 176.654 1.153 18230 4055 1 9 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.074 -0.592 18230 4056 1 9 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.113 0.676 18230 4057 1 9 . 1 1 40 40 GLU H H 40 8.468 8.468 8.133 0.335 18230 4058 1 9 . 1 1 41 41 LEU N N 41 121.141 121.141 121.315 -0.174 18230 4059 1 9 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.653 0.360 18230 4060 1 9 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.420 -1.591 18230 4061 1 9 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.235 0.388 18230 4062 1 9 . 1 1 41 41 LEU H H 41 7.682 7.682 8.240 -0.558 18230 4063 1 9 . 1 1 42 42 SER N N 42 116.557 116.557 118.283 -1.726 18230 4064 1 9 . 1 1 42 42 SER HA H 42 4.055 4.055 4.437 -0.382 18230 4065 1 9 . 1 1 42 42 SER C C 42 176.537 176.537 176.421 0.116 18230 4066 1 9 . 1 1 42 42 SER CA C 42 61.552 61.552 60.306 1.246 18230 4067 1 9 . 1 1 42 42 SER CB C 42 62.783 62.783 63.784 -1.001 18230 4068 1 9 . 1 1 42 42 SER H H 42 8.186 8.186 8.889 -0.703 18230 4069 1 9 . 1 1 43 43 GLY N N 43 111.517 111.517 110.834 0.683 18230 4070 1 9 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.998 -0.952 18230 4071 1 9 . 1 1 43 43 GLY H H 43 8.880 8.880 8.877 0.003 18230 4072 1 9 . 1 1 44 44 PHE N N 44 122.405 122.405 119.295 3.110 18230 4073 1 9 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.206 0.151 18230 4074 1 9 . 1 1 44 44 PHE C C 44 176.851 176.851 177.345 -0.494 18230 4075 1 9 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.097 -1.262 18230 4076 1 9 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.644 0.976 18230 4077 1 9 . 1 1 44 44 PHE H H 44 7.972 7.972 8.088 -0.116 18230 4078 1 9 . 1 1 45 45 LEU N N 45 119.444 119.444 118.484 0.960 18230 4079 1 9 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.169 -0.240 18230 4080 1 9 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.845 -0.582 18230 4081 1 9 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.350 0.607 18230 4082 1 9 . 1 1 45 45 LEU H H 45 8.148 8.148 7.702 0.446 18230 4083 1 9 . 1 1 46 46 ASP N N 46 120.023 120.023 120.236 -0.213 18230 4084 1 9 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.344 0.032 18230 4085 1 9 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.509 -0.827 18230 4086 1 9 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.880 -0.092 18230 4087 1 9 . 1 1 46 46 ASP H H 46 8.307 8.307 8.525 -0.218 18230 4088 1 9 . 1 1 47 47 ALA N N 47 121.156 121.156 120.229 0.927 18230 4089 1 9 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.090 0.066 18230 4090 1 9 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.797 -0.884 18230 4091 1 9 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.871 -0.217 18230 4092 1 9 . 1 1 47 47 ALA H H 47 7.606 7.606 7.549 0.057 18230 4093 1 9 . 1 1 48 48 GLN N N 48 116.408 116.408 118.194 -1.786 18230 4094 1 9 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.422 -0.286 18230 4095 1 9 . 1 1 48 48 GLN C C 48 175.882 175.882 175.856 0.026 18230 4096 1 9 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.788 0.574 18230 4097 1 9 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.642 -0.160 18230 4098 1 9 . 1 1 48 48 GLN H H 48 7.665 7.665 7.522 0.143 18230 4099 1 9 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.056 0.073 18230 4100 1 9 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.954 -1.248 18230 4101 1 9 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.750 -0.452 18230 4102 1 9 . 1 1 50 50 ASP N N 50 118.824 118.824 120.442 -1.618 18230 4103 1 9 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.609 -0.061 18230 4104 1 9 . 1 1 50 50 ASP CA C 50 53.965 53.965 53.765 0.200 18230 4105 1 9 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.451 0.584 18230 4106 1 9 . 1 1 50 50 ASP H H 50 7.982 7.982 7.868 0.114 18230 4107 1 9 . 1 1 51 51 VAL N N 51 121.055 121.055 120.484 0.571 18230 4108 1 9 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.924 0.027 18230 4109 1 9 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.771 -1.115 18230 4110 1 9 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.742 0.258 18230 4111 1 9 . 1 1 51 51 VAL H H 51 8.231 8.231 8.412 -0.181 18230 4112 1 9 . 1 1 52 52 ASP N N 52 121.189 121.189 120.724 0.465 18230 4113 1 9 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.554 0.205 18230 4114 1 9 . 1 1 52 52 ASP C C 52 176.367 176.367 177.265 -0.898 18230 4115 1 9 . 1 1 52 52 ASP CA C 52 53.716 53.716 55.643 -1.927 18230 4116 1 9 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.304 1.095 18230 4117 1 9 . 1 1 52 52 ASP H H 52 8.410 8.410 8.704 -0.294 18230 4118 1 9 . 1 1 53 53 ALA N N 53 123.582 123.582 123.611 -0.029 18230 4119 1 9 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.041 -0.109 18230 4120 1 9 . 1 1 53 53 ALA C C 53 179.208 179.208 178.754 0.454 18230 4121 1 9 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.192 0.075 18230 4122 1 9 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.511 0.646 18230 4123 1 9 . 1 1 53 53 ALA H H 53 7.755 7.755 7.472 0.283 18230 4124 1 9 . 1 1 54 54 VAL N N 54 116.235 116.235 118.249 -2.014 18230 4125 1 9 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.663 -0.208 18230 4126 1 9 . 1 1 54 54 VAL C C 54 176.432 176.432 176.228 0.204 18230 4127 1 9 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.430 -0.186 18230 4128 1 9 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.588 -0.824 18230 4129 1 9 . 1 1 54 54 VAL H H 54 8.300 8.300 7.522 0.778 18230 4130 1 9 . 1 1 55 55 ASP N N 55 120.594 120.594 119.168 1.426 18230 4131 1 9 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.338 -0.183 18230 4132 1 9 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.741 -0.157 18230 4133 1 9 . 1 1 55 55 ASP CB C 55 40.830 40.830 39.966 0.864 18230 4134 1 9 . 1 1 55 55 ASP H H 55 7.684 7.684 7.711 -0.027 18230 4135 1 9 . 1 1 56 56 LYS N N 56 119.178 119.178 120.123 -0.945 18230 4136 1 9 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.055 -0.127 18230 4137 1 9 . 1 1 56 56 LYS C C 56 178.697 178.697 179.250 -0.553 18230 4138 1 9 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.377 0.126 18230 4139 1 9 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.584 -0.294 18230 4140 1 9 . 1 1 56 56 LYS H H 56 7.638 7.638 7.954 -0.316 18230 4141 1 9 . 1 1 57 57 VAL N N 57 119.870 119.870 119.559 0.311 18230 4142 1 9 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.647 0.077 18230 4143 1 9 . 1 1 57 57 VAL C C 57 177.558 177.558 178.152 -0.594 18230 4144 1 9 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.681 -0.755 18230 4145 1 9 . 1 1 57 57 VAL CB C 57 31.147 31.147 32.033 -0.886 18230 4146 1 9 . 1 1 57 57 VAL H H 57 7.928 7.928 8.067 -0.139 18230 4147 1 9 . 1 1 58 58 MET N N 58 118.736 118.736 117.177 1.559 18230 4148 1 9 . 1 1 58 58 MET HA H 58 3.928 3.928 4.132 -0.204 18230 4149 1 9 . 1 1 58 58 MET C C 58 177.021 177.021 178.019 -0.998 18230 4150 1 9 . 1 1 58 58 MET CA C 58 58.534 58.534 59.198 -0.664 18230 4151 1 9 . 1 1 58 58 MET CB C 58 32.065 32.065 31.908 0.157 18230 4152 1 9 . 1 1 58 58 MET H H 58 8.443 8.443 8.331 0.112 18230 4153 1 9 . 1 1 59 59 LYS N N 59 116.214 116.214 118.505 -2.291 18230 4154 1 9 . 1 1 59 59 LYS HA H 59 3.968 3.968 4.029 -0.061 18230 4155 1 9 . 1 1 59 59 LYS C C 59 178.893 178.893 178.713 0.180 18230 4156 1 9 . 1 1 59 59 LYS CA C 59 58.866 58.866 58.815 0.051 18230 4157 1 9 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.554 0.511 18230 4158 1 9 . 1 1 59 59 LYS H H 59 7.629 7.629 7.702 -0.073 18230 4159 1 9 . 1 1 60 60 GLU N N 60 117.288 117.288 118.206 -0.918 18230 4160 1 9 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.127 -0.092 18230 4161 1 9 . 1 1 60 60 GLU C C 60 178.173 178.173 178.388 -0.215 18230 4162 1 9 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.471 -0.242 18230 4163 1 9 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.793 0.013 18230 4164 1 9 . 1 1 60 60 GLU H H 60 7.599 7.599 7.501 0.098 18230 4165 1 9 . 1 1 61 61 LEU N N 61 116.163 116.163 116.630 -0.467 18230 4166 1 9 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.161 0.209 18230 4167 1 9 . 1 1 61 61 LEU C C 61 178.893 178.893 177.607 1.286 18230 4168 1 9 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.348 -1.109 18230 4169 1 9 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.362 1.579 18230 4170 1 9 . 1 1 61 61 LEU H H 61 8.060 8.060 7.337 0.723 18230 4171 1 9 . 1 1 62 62 ASP N N 62 116.934 116.934 117.938 -1.004 18230 4172 1 9 . 1 1 62 62 ASP HA H 62 4.666 4.666 5.015 -0.349 18230 4173 1 9 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.571 -0.326 18230 4174 1 9 . 1 1 62 62 ASP CB C 62 39.009 39.009 40.857 -1.848 18230 4175 1 9 . 1 1 62 62 ASP H H 62 8.012 8.012 8.021 -0.009 18230 4176 1 9 . 1 1 63 63 GLU N N 63 129.388 129.388 126.828 2.560 18230 4177 1 9 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.040 -0.018 18230 4178 1 9 . 1 1 63 63 GLU C C 63 177.519 177.519 177.903 -0.384 18230 4179 1 9 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.708 -0.036 18230 4180 1 9 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.988 0.518 18230 4181 1 9 . 1 1 63 63 GLU H H 63 8.356 8.356 8.221 0.135 18230 4182 1 9 . 1 1 64 64 ASN N N 64 112.751 112.751 116.966 -4.215 18230 4183 1 9 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.546 0.187 18230 4184 1 9 . 1 1 64 64 ASN C C 64 176.498 176.498 175.739 0.759 18230 4185 1 9 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.223 -2.334 18230 4186 1 9 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.818 -1.646 18230 4187 1 9 . 1 1 64 64 ASN H H 64 7.997 7.997 8.086 -0.089 18230 4188 1 9 . 1 1 65 65 GLY N N 65 109.265 109.265 106.308 2.957 18230 4189 1 9 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.353 2.050 18230 4190 1 9 . 1 1 65 65 GLY H H 65 7.552 7.552 8.032 -0.480 18230 4191 1 9 . 1 1 66 66 ASP N N 66 119.331 119.331 119.375 -0.044 18230 4192 1 9 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.609 -0.077 18230 4193 1 9 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.624 0.565 18230 4194 1 9 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.433 -0.190 18230 4195 1 9 . 1 1 66 66 ASP H H 66 8.124 8.124 7.829 0.295 18230 4196 1 9 . 1 1 67 67 GLY N N 67 113.348 113.348 108.527 4.821 18230 4197 1 9 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.894 -0.290 18230 4198 1 9 . 1 1 67 67 GLY H H 67 10.285 10.285 8.838 1.447 18230 4199 1 9 . 1 1 68 68 GLU N N 68 117.060 117.060 120.531 -3.471 18230 4200 1 9 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.587 0.214 18230 4201 1 9 . 1 1 68 68 GLU C C 68 175.176 175.176 175.557 -0.381 18230 4202 1 9 . 1 1 68 68 GLU CA C 68 54.510 54.510 55.021 -0.511 18230 4203 1 9 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.221 4.002 18230 4204 1 9 . 1 1 68 68 GLU H H 68 7.732 7.732 8.821 -1.089 18230 4205 1 9 . 1 1 69 69 VAL N N 69 125.264 125.264 124.937 0.327 18230 4206 1 9 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.726 0.514 18230 4207 1 9 . 1 1 69 69 VAL C C 69 175.961 175.961 175.026 0.935 18230 4208 1 9 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.355 0.789 18230 4209 1 9 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.011 0.674 18230 4210 1 9 . 1 1 69 69 VAL H H 69 9.392 9.392 8.694 0.698 18230 4211 1 9 . 1 1 70 70 ASP N N 70 129.378 129.378 126.118 3.260 18230 4212 1 9 . 1 1 70 70 ASP HA H 70 5.161 5.161 5.046 0.115 18230 4213 1 9 . 1 1 70 70 ASP C C 70 175.032 175.032 176.979 -1.947 18230 4214 1 9 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.153 0.262 18230 4215 1 9 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.732 -1.893 18230 4216 1 9 . 1 1 70 70 ASP H H 70 9.112 9.112 8.078 1.034 18230 4217 1 9 . 1 1 71 71 PHE N N 71 118.452 118.452 123.523 -5.071 18230 4218 1 9 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.051 -0.138 18230 4219 1 9 . 1 1 71 71 PHE C C 71 176.576 176.576 176.795 -0.219 18230 4220 1 9 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.771 2.663 18230 4221 1 9 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.836 0.395 18230 4222 1 9 . 1 1 71 71 PHE H H 71 8.948 8.948 8.641 0.307 18230 4223 1 9 . 1 1 72 72 GLN N N 72 116.934 116.934 117.775 -0.841 18230 4224 1 9 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.831 -0.143 18230 4225 1 9 . 1 1 72 72 GLN C C 72 178.056 178.056 178.258 -0.202 18230 4226 1 9 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.786 -0.193 18230 4227 1 9 . 1 1 72 72 GLN CB C 72 28.164 28.164 27.883 0.281 18230 4228 1 9 . 1 1 72 72 GLN H H 72 8.012 8.012 8.724 -0.712 18230 4229 1 9 . 1 1 73 73 GLU N N 73 120.208 120.208 120.423 -0.215 18230 4230 1 9 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.057 0.009 18230 4231 1 9 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.595 -1.089 18230 4232 1 9 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.410 0.707 18230 4233 1 9 . 1 1 73 73 GLU H H 73 8.308 8.308 7.675 0.633 18230 4234 1 9 . 1 1 74 74 TYR N N 74 121.623 121.623 121.559 0.064 18230 4235 1 9 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.186 -0.097 18230 4236 1 9 . 1 1 74 74 TYR C C 74 176.485 176.485 177.539 -1.054 18230 4237 1 9 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.759 -2.284 18230 4238 1 9 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.738 -0.732 18230 4239 1 9 . 1 1 74 74 TYR H H 74 8.339 8.339 8.580 -0.241 18230 4240 1 9 . 1 1 75 75 VAL N N 75 120.827 120.827 119.417 1.410 18230 4241 1 9 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.596 -0.722 18230 4242 1 9 . 1 1 75 75 VAL C C 75 176.563 176.563 177.614 -1.051 18230 4243 1 9 . 1 1 75 75 VAL CA C 75 66.354 66.354 67.119 -0.765 18230 4244 1 9 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.971 -1.320 18230 4245 1 9 . 1 1 75 75 VAL H H 75 8.088 8.088 8.374 -0.286 18230 4246 1 9 . 1 1 76 76 VAL N N 76 120.216 120.216 118.190 2.026 18230 4247 1 9 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.674 -0.259 18230 4248 1 9 . 1 1 76 76 VAL C C 76 178.645 178.645 177.306 1.339 18230 4249 1 9 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.291 0.567 18230 4250 1 9 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.229 0.071 18230 4251 1 9 . 1 1 76 76 VAL H H 76 7.132 7.132 7.975 -0.843 18230 4252 1 9 . 1 1 77 77 LEU N N 77 120.900 120.900 121.628 -0.728 18230 4253 1 9 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.921 0.107 18230 4254 1 9 . 1 1 77 77 LEU C C 77 177.362 177.362 178.332 -0.970 18230 4255 1 9 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.277 -0.602 18230 4256 1 9 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.581 -1.026 18230 4257 1 9 . 1 1 77 77 LEU H H 77 6.860 6.860 7.903 -1.043 18230 4258 1 9 . 1 1 78 78 VAL N N 78 116.991 116.991 115.428 1.563 18230 4259 1 9 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.445 -0.322 18230 4260 1 9 . 1 1 78 78 VAL C C 78 179.142 179.142 177.678 1.464 18230 4261 1 9 . 1 1 78 78 VAL CA C 78 66.828 66.828 66.034 0.795 18230 4262 1 9 . 1 1 78 78 VAL CB C 78 31.301 31.301 31.138 0.163 18230 4263 1 9 . 1 1 78 78 VAL H H 78 7.519 7.519 7.935 -0.416 18230 4264 1 9 . 1 1 79 79 ALA N N 79 124.679 124.679 122.903 1.776 18230 4265 1 9 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.020 -0.333 18230 4266 1 9 . 1 1 79 79 ALA C C 79 178.213 178.213 179.044 -0.831 18230 4267 1 9 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.863 1.145 18230 4268 1 9 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.348 -0.531 18230 4269 1 9 . 1 1 79 79 ALA H H 79 8.964 8.964 8.192 0.772 18230 4270 1 9 . 1 1 80 80 ALA N N 80 120.376 120.376 121.481 -1.105 18230 4271 1 9 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.068 -0.034 18230 4272 1 9 . 1 1 80 80 ALA C C 80 181.852 181.852 179.657 2.195 18230 4273 1 9 . 1 1 80 80 ALA CA C 80 55.283 55.283 55.006 0.277 18230 4274 1 9 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.344 -0.544 18230 4275 1 9 . 1 1 80 80 ALA H H 80 7.794 7.794 8.381 -0.587 18230 4276 1 9 . 1 1 81 81 LEU N N 81 119.275 119.275 118.455 0.820 18230 4277 1 9 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.070 -0.030 18230 4278 1 9 . 1 1 81 81 LEU C C 81 179.168 179.168 179.343 -0.175 18230 4279 1 9 . 1 1 81 81 LEU CA C 81 57.345 57.345 58.144 -0.799 18230 4280 1 9 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.127 0.519 18230 4281 1 9 . 1 1 81 81 LEU H H 81 8.494 8.494 8.280 0.214 18230 4282 1 9 . 1 1 82 82 THR N N 82 119.781 119.781 116.740 3.041 18230 4283 1 9 . 1 1 82 82 THR HA H 82 3.800 3.800 3.916 -0.116 18230 4284 1 9 . 1 1 82 82 THR CA C 82 68.473 68.473 67.255 1.218 18230 4285 1 9 . 1 1 82 82 THR CB C 82 67.796 67.796 68.665 -0.869 18230 4286 1 9 . 1 1 82 82 THR H H 82 8.418 8.418 7.897 0.521 18230 4287 1 9 . 1 1 83 83 VAL N N 83 122.419 122.419 121.904 0.515 18230 4288 1 9 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.766 -0.064 18230 4289 1 9 . 1 1 83 83 VAL C C 83 177.781 177.781 177.316 0.465 18230 4290 1 9 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.340 1.971 18230 4291 1 9 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.166 0.509 18230 4292 1 9 . 1 1 83 83 VAL H H 83 8.164 8.164 8.155 0.009 18230 4293 1 9 . 1 1 84 84 ALA N N 84 121.470 121.470 122.182 -0.712 18230 4294 1 9 . 1 1 84 84 ALA HA H 84 4.148 4.148 3.956 0.192 18230 4295 1 9 . 1 1 84 84 ALA C C 84 180.032 180.032 179.401 0.631 18230 4296 1 9 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.167 -0.062 18230 4297 1 9 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.914 -0.116 18230 4298 1 9 . 1 1 84 84 ALA H H 84 7.877 7.877 8.340 -0.463 18230 4299 1 9 . 1 1 85 85 CYS N N 85 117.473 117.473 118.972 -1.499 18230 4300 1 9 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.514 -0.090 18230 4301 1 9 . 1 1 85 85 CYS C C 85 176.092 176.092 176.940 -0.848 18230 4302 1 9 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.337 -5.357 18230 4303 1 9 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.063 14.492 18230 4304 1 9 . 1 1 85 85 CYS H H 85 8.370 8.370 8.506 -0.136 18230 4305 1 9 . 1 1 86 86 ASN N N 86 119.886 119.886 118.670 1.216 18230 4306 1 9 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.482 -0.246 18230 4307 1 9 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.800 0.460 18230 4308 1 9 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.501 1.177 18230 4309 1 9 . 1 1 87 87 ASN N N 87 117.136 117.136 118.955 -1.819 18230 4310 1 9 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.413 -0.013 18230 4311 1 9 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.133 -1.101 18230 4312 1 9 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.398 -0.569 18230 4313 1 9 . 1 1 87 87 ASN H H 87 8.136 8.136 8.262 -0.126 18230 4314 1 9 . 1 1 88 88 PHE N N 88 119.001 119.001 119.543 -0.542 18230 4315 1 9 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.454 -0.164 18230 4316 1 9 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.174 -1.477 18230 4317 1 9 . 1 1 88 88 PHE CB C 88 39.206 39.206 38.877 0.329 18230 4318 1 9 . 1 1 88 88 PHE H H 88 7.865 7.865 8.201 -0.336 18230 4319 1 9 . 1 1 89 89 PHE N N 89 118.050 118.050 119.845 -1.795 18230 4320 1 9 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.214 -0.004 18230 4321 1 9 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.362 -1.862 18230 4322 1 9 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.628 -0.141 18230 4323 1 9 . 1 1 89 89 PHE H H 89 7.924 7.924 8.219 -0.295 18230 4324 1 9 . 1 1 90 90 TRP N N 90 119.104 119.104 119.709 -0.605 18230 4325 1 9 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.505 -0.029 18230 4326 1 9 . 1 1 90 90 TRP CA C 90 57.688 57.688 60.103 -2.415 18230 4327 1 9 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.462 -0.968 18230 4328 1 9 . 1 1 90 90 TRP H H 90 7.848 7.848 8.359 -0.511 18230 4329 1 9 . 1 1 91 91 GLU N N 91 120.457 120.457 117.085 3.372 18230 4330 1 9 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.557 -0.428 18230 4331 1 9 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.790 1.249 18230 4332 1 9 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.538 -1.505 18230 4333 1 9 . 1 1 91 91 GLU H H 91 7.816 7.816 8.140 -0.324 18230 4334 1 9 . 1 1 92 92 ASN N N 92 125.418 125.418 120.529 4.889 18230 4335 1 9 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.930 -0.520 18230 4336 1 9 . 1 1 92 92 ASN CA C 92 54.731 54.731 52.526 2.205 18230 4337 1 9 . 1 1 92 92 ASN CB C 92 41.074 41.074 39.446 1.629 18230 4338 1 9 . 1 1 92 92 ASN H H 92 7.846 7.846 8.524 -0.678 18230 4339 1 10 . 1 1 2 2 SER HA H 2 4.757 4.757 4.344 0.413 18230 4340 1 10 . 1 1 2 2 SER CA C 2 57.482 57.482 59.215 -1.733 18230 4341 1 10 . 1 1 2 2 SER CB C 2 64.893 64.893 63.641 1.252 18230 4342 1 10 . 1 1 3 3 GLU N N 3 123.948 123.948 123.273 0.675 18230 4343 1 10 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.062 0.063 18230 4344 1 10 . 1 1 3 3 GLU C C 3 179.443 179.443 178.370 1.073 18230 4345 1 10 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.111 1.189 18230 4346 1 10 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.266 0.306 18230 4347 1 10 . 1 1 3 3 GLU H H 3 9.442 9.442 8.673 0.769 18230 4348 1 10 . 1 1 4 4 LEU N N 4 120.236 120.236 120.429 -0.193 18230 4349 1 10 . 1 1 4 4 LEU HA H 4 4.075 4.075 3.989 0.086 18230 4350 1 10 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.958 0.133 18230 4351 1 10 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.990 0.512 18230 4352 1 10 . 1 1 4 4 LEU H H 4 8.907 8.907 7.506 1.401 18230 4353 1 10 . 1 1 5 5 GLU N N 5 119.034 119.034 118.458 0.576 18230 4354 1 10 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.074 -0.106 18230 4355 1 10 . 1 1 5 5 GLU C C 5 179.234 179.234 179.073 0.161 18230 4356 1 10 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.333 0.807 18230 4357 1 10 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.022 0.394 18230 4358 1 10 . 1 1 5 5 GLU H H 5 8.296 8.296 8.437 -0.141 18230 4359 1 10 . 1 1 6 6 THR N N 6 116.586 116.586 117.487 -0.901 18230 4360 1 10 . 1 1 6 6 THR HA H 6 4.008 4.008 4.040 -0.032 18230 4361 1 10 . 1 1 6 6 THR CA C 6 66.397 66.397 66.652 -0.255 18230 4362 1 10 . 1 1 6 6 THR CB C 6 68.595 68.595 68.641 -0.046 18230 4363 1 10 . 1 1 6 6 THR H H 6 8.282 8.282 8.406 -0.124 18230 4364 1 10 . 1 1 7 7 ALA N N 7 126.275 126.275 124.756 1.519 18230 4365 1 10 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.107 0.076 18230 4366 1 10 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.085 0.528 18230 4367 1 10 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.278 -0.338 18230 4368 1 10 . 1 1 7 7 ALA H H 7 8.141 8.141 8.150 -0.009 18230 4369 1 10 . 1 1 8 8 MET N N 8 117.071 117.071 118.124 -1.053 18230 4370 1 10 . 1 1 8 8 MET HA H 8 3.834 3.834 3.997 -0.163 18230 4371 1 10 . 1 1 8 8 MET C C 8 177.846 177.846 178.861 -1.015 18230 4372 1 10 . 1 1 8 8 MET CA C 8 60.757 60.757 59.680 1.077 18230 4373 1 10 . 1 1 8 8 MET CB C 8 34.012 34.012 32.520 1.492 18230 4374 1 10 . 1 1 8 8 MET H H 8 8.269 8.269 8.232 0.037 18230 4375 1 10 . 1 1 9 9 GLU N N 9 117.667 117.667 118.784 -1.117 18230 4376 1 10 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.056 -0.128 18230 4377 1 10 . 1 1 9 9 GLU C C 9 178.933 178.933 179.187 -0.254 18230 4378 1 10 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.839 0.024 18230 4379 1 10 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.483 -0.222 18230 4380 1 10 . 1 1 9 9 GLU H H 9 8.105 8.105 8.686 -0.581 18230 4381 1 10 . 1 1 10 10 THR N N 10 118.326 118.326 117.679 0.647 18230 4382 1 10 . 1 1 10 10 THR HA H 10 4.075 4.075 4.105 -0.030 18230 4383 1 10 . 1 1 10 10 THR CA C 10 67.311 67.311 66.720 0.591 18230 4384 1 10 . 1 1 10 10 THR CB C 10 67.934 67.934 68.443 -0.509 18230 4385 1 10 . 1 1 10 10 THR H H 10 8.407 8.407 8.177 0.230 18230 4386 1 10 . 1 1 11 11 LEU N N 11 119.765 119.765 121.876 -2.111 18230 4387 1 10 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.097 -0.169 18230 4388 1 10 . 1 1 11 11 LEU C C 11 180.896 180.896 179.242 1.654 18230 4389 1 10 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.421 0.860 18230 4390 1 10 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.321 0.279 18230 4391 1 10 . 1 1 11 11 LEU H H 11 8.131 8.131 8.260 -0.129 18230 4392 1 10 . 1 1 12 12 ILE N N 12 119.540 119.540 120.345 -0.805 18230 4393 1 10 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.844 0.112 18230 4394 1 10 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.825 -0.093 18230 4395 1 10 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.671 1.715 18230 4396 1 10 . 1 1 12 12 ILE H H 12 7.715 7.715 8.473 -0.758 18230 4397 1 10 . 1 1 13 13 ASN N N 13 121.587 121.587 118.273 3.314 18230 4398 1 10 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.527 0.004 18230 4399 1 10 . 1 1 13 13 ASN C C 13 178.867 178.867 178.212 0.655 18230 4400 1 10 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.210 0.219 18230 4401 1 10 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.258 -0.196 18230 4402 1 10 . 1 1 13 13 ASN H H 13 9.040 9.040 8.427 0.613 18230 4403 1 10 . 1 1 14 14 VAL N N 14 120.603 120.603 117.534 3.069 18230 4404 1 10 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.814 -0.007 18230 4405 1 10 . 1 1 14 14 VAL C C 14 177.113 177.113 177.298 -0.185 18230 4406 1 10 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.255 0.253 18230 4407 1 10 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.577 0.020 18230 4408 1 10 . 1 1 14 14 VAL H H 14 8.954 8.954 8.290 0.664 18230 4409 1 10 . 1 1 15 15 PHE N N 15 117.585 117.585 122.391 -4.806 18230 4410 1 10 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.580 -0.121 18230 4411 1 10 . 1 1 15 15 PHE C C 15 177.257 177.257 176.733 0.524 18230 4412 1 10 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.839 0.737 18230 4413 1 10 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.540 0.512 18230 4414 1 10 . 1 1 15 15 PHE H H 15 6.956 6.956 8.469 -1.513 18230 4415 1 10 . 1 1 16 16 HIS N N 16 115.204 115.204 118.908 -3.704 18230 4416 1 10 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.783 1.056 18230 4417 1 10 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.462 -0.983 18230 4418 1 10 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.548 -0.628 18230 4419 1 10 . 1 1 16 16 HIS H H 16 7.736 7.736 8.479 -0.743 18230 4420 1 10 . 1 1 17 17 ALA N N 17 123.201 123.201 121.798 1.403 18230 4421 1 10 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.810 0.226 18230 4422 1 10 . 1 1 17 17 ALA C C 17 178.867 178.867 179.993 -1.126 18230 4423 1 10 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.898 -0.753 18230 4424 1 10 . 1 1 17 17 ALA CB C 17 17.661 17.661 17.930 -0.269 18230 4425 1 10 . 1 1 17 17 ALA H H 17 8.066 8.066 7.957 0.109 18230 4426 1 10 . 1 1 18 18 HIS N N 18 113.974 113.974 117.055 -3.081 18230 4427 1 10 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.216 0.156 18230 4428 1 10 . 1 1 18 18 HIS C C 18 175.568 175.568 177.437 -1.869 18230 4429 1 10 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.262 -1.849 18230 4430 1 10 . 1 1 18 18 HIS CB C 18 32.753 32.753 30.058 2.695 18230 4431 1 10 . 1 1 18 18 HIS H H 18 7.047 7.047 8.197 -1.150 18230 4432 1 10 . 1 1 19 19 SER N N 19 113.745 113.745 115.307 -1.562 18230 4433 1 10 . 1 1 19 19 SER HA H 19 3.658 3.658 3.865 -0.207 18230 4434 1 10 . 1 1 19 19 SER CA C 19 61.247 61.247 61.028 0.219 18230 4435 1 10 . 1 1 19 19 SER CB C 19 61.323 61.323 62.252 -0.929 18230 4436 1 10 . 1 1 19 19 SER H H 19 8.470 8.470 8.179 0.291 18230 4437 1 10 . 1 1 20 20 GLY N N 20 111.711 111.711 108.155 3.556 18230 4438 1 10 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.654 -0.272 18230 4439 1 10 . 1 1 20 20 GLY H H 20 7.739 7.739 7.427 0.312 18230 4440 1 10 . 1 1 21 21 LYS N N 21 122.328 122.328 120.245 2.083 18230 4441 1 10 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.898 0.016 18230 4442 1 10 . 1 1 21 21 LYS C C 21 177.192 177.192 176.998 0.194 18230 4443 1 10 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.163 1.175 18230 4444 1 10 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.641 0.047 18230 4445 1 10 . 1 1 21 21 LYS H H 21 7.200 7.200 7.420 -0.220 18230 4446 1 10 . 1 1 22 22 GLU N N 22 115.975 115.975 118.105 -2.130 18230 4447 1 10 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.369 0.288 18230 4448 1 10 . 1 1 22 22 GLU C C 22 175.882 175.882 175.683 0.199 18230 4449 1 10 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.215 -1.111 18230 4450 1 10 . 1 1 22 22 GLU CB C 22 33.003 33.003 31.907 1.096 18230 4451 1 10 . 1 1 22 22 GLU H H 22 9.369 9.369 7.688 1.681 18230 4452 1 10 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.296 0.540 18230 4453 1 10 . 1 1 25 25 LYS HA H 25 4.276 4.276 4.309 -0.033 18230 4454 1 10 . 1 1 25 25 LYS CA C 25 57.980 57.980 56.035 1.945 18230 4455 1 10 . 1 1 25 25 LYS CB C 25 31.208 31.208 33.551 -2.343 18230 4456 1 10 . 1 1 26 26 TYR N N 26 119.825 119.825 114.356 5.469 18230 4457 1 10 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.352 0.353 18230 4458 1 10 . 1 1 26 26 TYR C C 26 173.696 173.696 174.443 -0.747 18230 4459 1 10 . 1 1 26 26 TYR CA C 26 56.180 56.180 59.520 -3.341 18230 4460 1 10 . 1 1 26 26 TYR CB C 26 38.049 38.049 36.851 1.198 18230 4461 1 10 . 1 1 26 26 TYR H H 26 9.414 9.414 8.031 1.383 18230 4462 1 10 . 1 1 27 27 LYS N N 27 114.922 114.922 118.420 -3.498 18230 4463 1 10 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.864 0.256 18230 4464 1 10 . 1 1 27 27 LYS C C 27 174.678 174.678 174.178 0.500 18230 4465 1 10 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.975 0.015 18230 4466 1 10 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.314 2.527 18230 4467 1 10 . 1 1 27 27 LYS H H 27 7.107 7.107 7.720 -0.613 18230 4468 1 10 . 1 1 28 28 LEU N N 28 125.976 125.976 128.183 -2.207 18230 4469 1 10 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.942 0.242 18230 4470 1 10 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.695 0.080 18230 4471 1 10 . 1 1 28 28 LEU CB C 28 43.037 43.037 46.004 -2.967 18230 4472 1 10 . 1 1 28 28 LEU H H 28 9.757 9.757 9.119 0.638 18230 4473 1 10 . 1 1 29 29 SER N N 29 121.025 121.025 121.070 -0.045 18230 4474 1 10 . 1 1 29 29 SER HA H 29 4.558 4.558 4.826 -0.268 18230 4475 1 10 . 1 1 29 29 SER C C 29 174.338 174.338 175.364 -1.026 18230 4476 1 10 . 1 1 29 29 SER CA C 29 56.208 56.208 56.828 -0.619 18230 4477 1 10 . 1 1 29 29 SER CB C 29 65.480 65.480 66.028 -0.548 18230 4478 1 10 . 1 1 29 29 SER H H 29 9.908 9.908 8.219 1.689 18230 4479 1 10 . 1 1 30 30 LYS N N 30 120.385 120.385 123.109 -2.724 18230 4480 1 10 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.890 -0.043 18230 4481 1 10 . 1 1 30 30 LYS C C 30 177.859 177.859 178.584 -0.725 18230 4482 1 10 . 1 1 30 30 LYS CA C 30 61.302 61.302 61.015 0.287 18230 4483 1 10 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.461 -0.450 18230 4484 1 10 . 1 1 30 30 LYS H H 30 8.845 8.845 9.160 -0.315 18230 4485 1 10 . 1 1 31 31 LYS N N 31 118.358 118.358 116.653 1.705 18230 4486 1 10 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.061 -0.160 18230 4487 1 10 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.094 0.519 18230 4488 1 10 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.860 1.139 18230 4489 1 10 . 1 1 31 31 LYS H H 31 7.924 7.924 8.320 -0.396 18230 4490 1 10 . 1 1 32 32 GLU N N 32 119.355 119.355 120.488 -1.133 18230 4491 1 10 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.371 -0.470 18230 4492 1 10 . 1 1 32 32 GLU CA C 32 58.838 58.838 58.917 -0.079 18230 4493 1 10 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.850 0.813 18230 4494 1 10 . 1 1 32 32 GLU H H 32 7.502 7.502 7.469 0.033 18230 4495 1 10 . 1 1 33 33 LEU N N 33 119.533 119.533 117.681 1.852 18230 4496 1 10 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.100 -0.192 18230 4497 1 10 . 1 1 33 33 LEU C C 33 177.571 177.571 178.703 -1.132 18230 4498 1 10 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.366 -0.591 18230 4499 1 10 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.067 0.422 18230 4500 1 10 . 1 1 33 33 LEU H H 33 9.076 9.076 8.698 0.378 18230 4501 1 10 . 1 1 34 34 LYS N N 34 119.251 119.251 119.026 0.225 18230 4502 1 10 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.926 -0.280 18230 4503 1 10 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.404 1.179 18230 4504 1 10 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.826 0.239 18230 4505 1 10 . 1 1 34 34 LYS H H 34 8.262 8.262 8.255 0.007 18230 4506 1 10 . 1 1 35 35 GLU N N 35 117.642 117.642 119.149 -1.507 18230 4507 1 10 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.146 -0.151 18230 4508 1 10 . 1 1 35 35 GLU C C 35 178.776 178.776 178.866 -0.090 18230 4509 1 10 . 1 1 35 35 GLU CA C 35 59.586 59.586 58.820 0.766 18230 4510 1 10 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.620 -0.671 18230 4511 1 10 . 1 1 35 35 GLU H H 35 7.742 7.742 7.836 -0.094 18230 4512 1 10 . 1 1 36 36 LEU N N 36 124.753 124.753 122.597 2.156 18230 4513 1 10 . 1 1 36 36 LEU HA H 36 2.696 2.696 2.860 -0.164 18230 4514 1 10 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.173 2.524 18230 4515 1 10 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.759 0.209 18230 4516 1 10 . 1 1 36 36 LEU H H 36 8.304 8.304 8.201 0.103 18230 4517 1 10 . 1 1 37 37 LEU N N 37 119.058 119.058 117.890 1.168 18230 4518 1 10 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.986 -0.259 18230 4519 1 10 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.099 0.213 18230 4520 1 10 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.822 0.978 18230 4521 1 10 . 1 1 37 37 LEU H H 37 8.684 8.684 8.507 0.177 18230 4522 1 10 . 1 1 38 38 GLN N N 38 114.728 114.728 116.827 -2.099 18230 4523 1 10 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.276 -0.335 18230 4524 1 10 . 1 1 38 38 GLN C C 38 177.584 177.584 178.228 -0.644 18230 4525 1 10 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.657 -0.179 18230 4526 1 10 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.937 0.090 18230 4527 1 10 . 1 1 38 38 GLN H H 38 8.510 8.510 7.629 0.881 18230 4528 1 10 . 1 1 39 39 THR N N 39 110.419 110.419 110.371 0.048 18230 4529 1 10 . 1 1 39 39 THR HA H 39 4.238 4.238 4.163 0.075 18230 4530 1 10 . 1 1 39 39 THR C C 39 176.341 176.341 176.123 0.218 18230 4531 1 10 . 1 1 39 39 THR CA C 39 64.874 64.874 65.056 -0.182 18230 4532 1 10 . 1 1 39 39 THR CB C 39 69.919 69.919 69.077 0.842 18230 4533 1 10 . 1 1 39 39 THR H H 39 7.863 7.863 7.990 -0.127 18230 4534 1 10 . 1 1 40 40 GLU N N 40 117.514 117.514 120.769 -3.255 18230 4535 1 10 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.416 0.337 18230 4536 1 10 . 1 1 40 40 GLU C C 40 177.807 177.807 176.843 0.964 18230 4537 1 10 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.512 -1.030 18230 4538 1 10 . 1 1 40 40 GLU CB C 40 31.789 31.789 30.915 0.874 18230 4539 1 10 . 1 1 40 40 GLU H H 40 8.468 8.468 8.129 0.339 18230 4540 1 10 . 1 1 41 41 LEU N N 41 121.141 121.141 120.875 0.266 18230 4541 1 10 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.685 0.328 18230 4542 1 10 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.225 -1.395 18230 4543 1 10 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.572 0.051 18230 4544 1 10 . 1 1 41 41 LEU H H 41 7.682 7.682 8.438 -0.756 18230 4545 1 10 . 1 1 42 42 SER N N 42 116.557 116.557 118.064 -1.507 18230 4546 1 10 . 1 1 42 42 SER HA H 42 4.055 4.055 4.510 -0.455 18230 4547 1 10 . 1 1 42 42 SER C C 42 176.537 176.537 176.516 0.021 18230 4548 1 10 . 1 1 42 42 SER CA C 42 61.552 61.552 60.464 1.088 18230 4549 1 10 . 1 1 42 42 SER CB C 42 62.783 62.783 64.550 -1.767 18230 4550 1 10 . 1 1 42 42 SER H H 42 8.186 8.186 8.837 -0.651 18230 4551 1 10 . 1 1 43 43 GLY N N 43 111.517 111.517 111.086 0.431 18230 4552 1 10 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.842 -0.795 18230 4553 1 10 . 1 1 43 43 GLY H H 43 8.880 8.880 8.821 0.059 18230 4554 1 10 . 1 1 44 44 PHE N N 44 122.405 122.405 119.239 3.166 18230 4555 1 10 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.204 0.153 18230 4556 1 10 . 1 1 44 44 PHE C C 44 176.851 176.851 177.267 -0.416 18230 4557 1 10 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.147 -1.312 18230 4558 1 10 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.582 1.038 18230 4559 1 10 . 1 1 44 44 PHE H H 44 7.972 7.972 8.093 -0.121 18230 4560 1 10 . 1 1 45 45 LEU N N 45 119.444 119.444 118.047 1.397 18230 4561 1 10 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.210 -0.281 18230 4562 1 10 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.672 -0.409 18230 4563 1 10 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.420 0.537 18230 4564 1 10 . 1 1 45 45 LEU H H 45 8.148 8.148 7.761 0.387 18230 4565 1 10 . 1 1 46 46 ASP N N 46 120.023 120.023 120.379 -0.356 18230 4566 1 10 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.344 0.032 18230 4567 1 10 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.478 -0.796 18230 4568 1 10 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.883 -0.095 18230 4569 1 10 . 1 1 46 46 ASP H H 46 8.307 8.307 8.374 -0.067 18230 4570 1 10 . 1 1 47 47 ALA N N 47 121.156 121.156 120.258 0.898 18230 4571 1 10 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.081 0.075 18230 4572 1 10 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.784 -0.871 18230 4573 1 10 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.855 -0.201 18230 4574 1 10 . 1 1 47 47 ALA H H 47 7.606 7.606 7.579 0.027 18230 4575 1 10 . 1 1 48 48 GLN N N 48 116.408 116.408 117.919 -1.511 18230 4576 1 10 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.372 -0.236 18230 4577 1 10 . 1 1 48 48 GLN C C 48 175.882 175.882 176.248 -0.366 18230 4578 1 10 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.830 0.532 18230 4579 1 10 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.538 -0.056 18230 4580 1 10 . 1 1 48 48 GLN H H 48 7.665 7.665 7.539 0.126 18230 4581 1 10 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.079 0.050 18230 4582 1 10 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.724 -1.018 18230 4583 1 10 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.674 -0.376 18230 4584 1 10 . 1 1 50 50 ASP N N 50 118.824 118.824 119.032 -0.208 18230 4585 1 10 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.666 -0.118 18230 4586 1 10 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.428 -0.463 18230 4587 1 10 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.537 0.498 18230 4588 1 10 . 1 1 50 50 ASP H H 50 7.982 7.982 7.943 0.039 18230 4589 1 10 . 1 1 51 51 VAL N N 51 121.055 121.055 120.040 1.015 18230 4590 1 10 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.912 0.039 18230 4591 1 10 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.768 -1.112 18230 4592 1 10 . 1 1 51 51 VAL CB C 51 32.000 32.000 32.195 -0.195 18230 4593 1 10 . 1 1 51 51 VAL H H 51 8.231 8.231 8.303 -0.072 18230 4594 1 10 . 1 1 52 52 ASP N N 52 121.189 121.189 120.058 1.131 18230 4595 1 10 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.640 0.119 18230 4596 1 10 . 1 1 52 52 ASP C C 52 176.367 176.367 177.209 -0.842 18230 4597 1 10 . 1 1 52 52 ASP CA C 52 53.716 53.716 55.143 -1.427 18230 4598 1 10 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.305 1.094 18230 4599 1 10 . 1 1 52 52 ASP H H 52 8.410 8.410 8.712 -0.302 18230 4600 1 10 . 1 1 53 53 ALA N N 53 123.582 123.582 123.382 0.200 18230 4601 1 10 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.053 -0.121 18230 4602 1 10 . 1 1 53 53 ALA C C 53 179.208 179.208 178.748 0.460 18230 4603 1 10 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.174 0.093 18230 4604 1 10 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.564 0.593 18230 4605 1 10 . 1 1 53 53 ALA H H 53 7.755 7.755 7.402 0.353 18230 4606 1 10 . 1 1 54 54 VAL N N 54 116.235 116.235 118.686 -2.451 18230 4607 1 10 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.662 -0.207 18230 4608 1 10 . 1 1 54 54 VAL C C 54 176.432 176.432 176.658 -0.226 18230 4609 1 10 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.463 -0.218 18230 4610 1 10 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.833 -1.069 18230 4611 1 10 . 1 1 54 54 VAL H H 54 8.300 8.300 7.634 0.666 18230 4612 1 10 . 1 1 55 55 ASP N N 55 120.594 120.594 118.569 2.025 18230 4613 1 10 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.323 -0.168 18230 4614 1 10 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.425 0.159 18230 4615 1 10 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.518 0.312 18230 4616 1 10 . 1 1 55 55 ASP H H 55 7.684 7.684 8.441 -0.757 18230 4617 1 10 . 1 1 56 56 LYS N N 56 119.178 119.178 119.323 -0.145 18230 4618 1 10 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.043 -0.115 18230 4619 1 10 . 1 1 56 56 LYS C C 56 178.697 178.697 179.374 -0.677 18230 4620 1 10 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.445 0.058 18230 4621 1 10 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.620 -0.330 18230 4622 1 10 . 1 1 56 56 LYS H H 56 7.638 7.638 7.925 -0.287 18230 4623 1 10 . 1 1 57 57 VAL N N 57 119.870 119.870 119.455 0.415 18230 4624 1 10 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.688 0.036 18230 4625 1 10 . 1 1 57 57 VAL C C 57 177.558 177.558 178.302 -0.744 18230 4626 1 10 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.463 -0.537 18230 4627 1 10 . 1 1 57 57 VAL CB C 57 31.147 31.147 32.093 -0.946 18230 4628 1 10 . 1 1 57 57 VAL H H 57 7.928 7.928 8.275 -0.347 18230 4629 1 10 . 1 1 58 58 MET N N 58 118.736 118.736 118.310 0.426 18230 4630 1 10 . 1 1 58 58 MET HA H 58 3.928 3.928 4.186 -0.258 18230 4631 1 10 . 1 1 58 58 MET C C 58 177.021 177.021 177.749 -0.728 18230 4632 1 10 . 1 1 58 58 MET CA C 58 58.534 58.534 58.730 -0.196 18230 4633 1 10 . 1 1 58 58 MET CB C 58 32.065 32.065 31.882 0.183 18230 4634 1 10 . 1 1 58 58 MET H H 58 8.443 8.443 8.409 0.034 18230 4635 1 10 . 1 1 59 59 LYS N N 59 116.214 116.214 119.272 -3.058 18230 4636 1 10 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.981 -0.013 18230 4637 1 10 . 1 1 59 59 LYS C C 59 178.893 178.893 178.070 0.823 18230 4638 1 10 . 1 1 59 59 LYS CA C 59 58.866 58.866 58.691 0.175 18230 4639 1 10 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.503 0.562 18230 4640 1 10 . 1 1 59 59 LYS H H 59 7.629 7.629 7.866 -0.237 18230 4641 1 10 . 1 1 60 60 GLU N N 60 117.288 117.288 117.890 -0.602 18230 4642 1 10 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.154 -0.119 18230 4643 1 10 . 1 1 60 60 GLU C C 60 178.173 178.173 178.201 -0.028 18230 4644 1 10 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.406 -0.176 18230 4645 1 10 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.433 0.373 18230 4646 1 10 . 1 1 60 60 GLU H H 60 7.599 7.599 7.819 -0.220 18230 4647 1 10 . 1 1 61 61 LEU N N 61 116.163 116.163 116.739 -0.576 18230 4648 1 10 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.154 0.215 18230 4649 1 10 . 1 1 61 61 LEU C C 61 178.893 178.893 178.113 0.780 18230 4650 1 10 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.569 -1.330 18230 4651 1 10 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.316 1.625 18230 4652 1 10 . 1 1 61 61 LEU H H 61 8.060 8.060 7.304 0.756 18230 4653 1 10 . 1 1 62 62 ASP N N 62 116.934 116.934 118.685 -1.751 18230 4654 1 10 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.939 -0.273 18230 4655 1 10 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.761 -0.517 18230 4656 1 10 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.484 -0.475 18230 4657 1 10 . 1 1 62 62 ASP H H 62 8.012 8.012 8.059 -0.047 18230 4658 1 10 . 1 1 63 63 GLU N N 63 129.388 129.388 124.455 4.933 18230 4659 1 10 . 1 1 63 63 GLU HA H 63 4.022 4.022 3.997 0.025 18230 4660 1 10 . 1 1 63 63 GLU C C 63 177.519 177.519 177.864 -0.345 18230 4661 1 10 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.744 -0.072 18230 4662 1 10 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.913 0.595 18230 4663 1 10 . 1 1 63 63 GLU H H 63 8.356 8.356 8.641 -0.285 18230 4664 1 10 . 1 1 64 64 ASN N N 64 112.751 112.751 116.612 -3.861 18230 4665 1 10 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.515 0.218 18230 4666 1 10 . 1 1 64 64 ASN C C 64 176.498 176.498 176.320 0.178 18230 4667 1 10 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.309 -2.420 18230 4668 1 10 . 1 1 64 64 ASN CB C 64 37.172 37.172 39.211 -2.039 18230 4669 1 10 . 1 1 64 64 ASN H H 64 7.997 7.997 7.808 0.189 18230 4670 1 10 . 1 1 65 65 GLY N N 65 109.265 109.265 107.919 1.346 18230 4671 1 10 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.418 1.985 18230 4672 1 10 . 1 1 65 65 GLY H H 65 7.552 7.552 8.499 -0.947 18230 4673 1 10 . 1 1 66 66 ASP N N 66 119.331 119.331 120.940 -1.609 18230 4674 1 10 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.605 -0.073 18230 4675 1 10 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.932 0.258 18230 4676 1 10 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.805 -0.562 18230 4677 1 10 . 1 1 66 66 ASP H H 66 8.124 8.124 8.198 -0.074 18230 4678 1 10 . 1 1 67 67 GLY N N 67 113.348 113.348 108.756 4.592 18230 4679 1 10 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.623 -0.019 18230 4680 1 10 . 1 1 67 67 GLY H H 67 10.285 10.285 9.189 1.096 18230 4681 1 10 . 1 1 68 68 GLU N N 68 117.060 117.060 118.618 -1.558 18230 4682 1 10 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.823 -0.022 18230 4683 1 10 . 1 1 68 68 GLU C C 68 175.176 175.176 174.855 0.321 18230 4684 1 10 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.848 -0.338 18230 4685 1 10 . 1 1 68 68 GLU CB C 68 36.223 36.223 33.069 3.154 18230 4686 1 10 . 1 1 68 68 GLU H H 68 7.732 7.732 8.810 -1.079 18230 4687 1 10 . 1 1 69 69 VAL N N 69 125.264 125.264 121.591 3.673 18230 4688 1 10 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.767 0.473 18230 4689 1 10 . 1 1 69 69 VAL C C 69 175.961 175.961 175.123 0.838 18230 4690 1 10 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.844 0.300 18230 4691 1 10 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.260 0.425 18230 4692 1 10 . 1 1 69 69 VAL H H 69 9.392 9.392 9.095 0.297 18230 4693 1 10 . 1 1 70 70 ASP N N 70 129.378 129.378 126.146 3.232 18230 4694 1 10 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.957 0.204 18230 4695 1 10 . 1 1 70 70 ASP C C 70 175.032 175.032 176.606 -1.574 18230 4696 1 10 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.446 -0.031 18230 4697 1 10 . 1 1 70 70 ASP CB C 70 41.839 41.839 42.623 -0.784 18230 4698 1 10 . 1 1 70 70 ASP H H 70 9.112 9.112 8.825 0.287 18230 4699 1 10 . 1 1 71 71 PHE N N 71 118.452 118.452 121.007 -2.555 18230 4700 1 10 . 1 1 71 71 PHE HA H 71 2.913 2.913 2.876 0.037 18230 4701 1 10 . 1 1 71 71 PHE C C 71 176.576 176.576 176.771 -0.195 18230 4702 1 10 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.622 2.812 18230 4703 1 10 . 1 1 71 71 PHE CB C 71 39.231 39.231 39.100 0.131 18230 4704 1 10 . 1 1 71 71 PHE H H 71 8.948 8.948 9.053 -0.105 18230 4705 1 10 . 1 1 72 72 GLN N N 72 116.934 116.934 118.384 -1.450 18230 4706 1 10 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.835 -0.147 18230 4707 1 10 . 1 1 72 72 GLN C C 72 178.056 178.056 178.318 -0.262 18230 4708 1 10 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.408 0.185 18230 4709 1 10 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.130 0.034 18230 4710 1 10 . 1 1 72 72 GLN H H 72 8.012 8.012 8.391 -0.379 18230 4711 1 10 . 1 1 73 73 GLU N N 73 120.208 120.208 120.934 -0.726 18230 4712 1 10 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.023 0.043 18230 4713 1 10 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.673 -1.167 18230 4714 1 10 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.794 0.323 18230 4715 1 10 . 1 1 73 73 GLU H H 73 8.308 8.308 9.768 -1.460 18230 4716 1 10 . 1 1 74 74 TYR N N 74 121.623 121.623 121.485 0.138 18230 4717 1 10 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.205 -0.116 18230 4718 1 10 . 1 1 74 74 TYR C C 74 176.485 176.485 177.552 -1.067 18230 4719 1 10 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.742 -2.267 18230 4720 1 10 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.714 -0.708 18230 4721 1 10 . 1 1 74 74 TYR H H 74 8.339 8.339 8.559 -0.220 18230 4722 1 10 . 1 1 75 75 VAL N N 75 120.827 120.827 119.559 1.268 18230 4723 1 10 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.618 -0.744 18230 4724 1 10 . 1 1 75 75 VAL C C 75 176.563 176.563 177.676 -1.113 18230 4725 1 10 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.931 -0.578 18230 4726 1 10 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.955 -1.304 18230 4727 1 10 . 1 1 75 75 VAL H H 75 8.088 8.088 8.417 -0.329 18230 4728 1 10 . 1 1 76 76 VAL N N 76 120.216 120.216 118.437 1.779 18230 4729 1 10 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.706 -0.291 18230 4730 1 10 . 1 1 76 76 VAL C C 76 178.645 178.645 177.638 1.007 18230 4731 1 10 . 1 1 76 76 VAL CA C 76 66.858 66.858 65.792 1.066 18230 4732 1 10 . 1 1 76 76 VAL CB C 76 31.300 31.300 30.524 0.776 18230 4733 1 10 . 1 1 76 76 VAL H H 76 7.132 7.132 8.057 -0.925 18230 4734 1 10 . 1 1 77 77 LEU N N 77 120.900 120.900 122.128 -1.228 18230 4735 1 10 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.951 0.077 18230 4736 1 10 . 1 1 77 77 LEU C C 77 177.362 177.362 178.566 -1.204 18230 4737 1 10 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.263 -0.588 18230 4738 1 10 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.397 -0.841 18230 4739 1 10 . 1 1 77 77 LEU H H 77 6.860 6.860 7.923 -1.063 18230 4740 1 10 . 1 1 78 78 VAL N N 78 116.991 116.991 116.623 0.368 18230 4741 1 10 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.553 -0.430 18230 4742 1 10 . 1 1 78 78 VAL C C 78 179.142 179.142 177.728 1.414 18230 4743 1 10 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.093 1.735 18230 4744 1 10 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.212 1.089 18230 4745 1 10 . 1 1 78 78 VAL H H 78 7.519 7.519 7.916 -0.397 18230 4746 1 10 . 1 1 79 79 ALA N N 79 124.679 124.679 123.362 1.317 18230 4747 1 10 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.039 -0.352 18230 4748 1 10 . 1 1 79 79 ALA C C 79 178.213 178.213 179.005 -0.792 18230 4749 1 10 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.939 1.069 18230 4750 1 10 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.185 -0.368 18230 4751 1 10 . 1 1 79 79 ALA H H 79 8.964 8.964 8.135 0.829 18230 4752 1 10 . 1 1 80 80 ALA N N 80 120.376 120.376 121.449 -1.073 18230 4753 1 10 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.072 -0.038 18230 4754 1 10 . 1 1 80 80 ALA C C 80 181.852 181.852 179.663 2.189 18230 4755 1 10 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.999 0.284 18230 4756 1 10 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.347 -0.547 18230 4757 1 10 . 1 1 80 80 ALA H H 80 7.794 7.794 8.405 -0.611 18230 4758 1 10 . 1 1 81 81 LEU N N 81 119.275 119.275 118.514 0.761 18230 4759 1 10 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.073 -0.033 18230 4760 1 10 . 1 1 81 81 LEU C C 81 179.168 179.168 179.296 -0.128 18230 4761 1 10 . 1 1 81 81 LEU CA C 81 57.345 57.345 58.016 -0.671 18230 4762 1 10 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.258 0.388 18230 4763 1 10 . 1 1 81 81 LEU H H 81 8.494 8.494 8.323 0.171 18230 4764 1 10 . 1 1 82 82 THR N N 82 119.781 119.781 116.614 3.167 18230 4765 1 10 . 1 1 82 82 THR HA H 82 3.800 3.800 3.918 -0.118 18230 4766 1 10 . 1 1 82 82 THR CA C 82 68.473 68.473 67.441 1.032 18230 4767 1 10 . 1 1 82 82 THR CB C 82 67.796 67.796 68.635 -0.839 18230 4768 1 10 . 1 1 82 82 THR H H 82 8.418 8.418 7.913 0.505 18230 4769 1 10 . 1 1 83 83 VAL N N 83 122.419 122.419 121.447 0.972 18230 4770 1 10 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.725 -0.023 18230 4771 1 10 . 1 1 83 83 VAL C C 83 177.781 177.781 177.226 0.555 18230 4772 1 10 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.249 2.062 18230 4773 1 10 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.181 0.494 18230 4774 1 10 . 1 1 83 83 VAL H H 83 8.164 8.164 8.083 0.081 18230 4775 1 10 . 1 1 84 84 ALA N N 84 121.470 121.470 122.389 -0.919 18230 4776 1 10 . 1 1 84 84 ALA HA H 84 4.148 4.148 3.970 0.178 18230 4777 1 10 . 1 1 84 84 ALA C C 84 180.032 180.032 179.506 0.526 18230 4778 1 10 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.292 -0.187 18230 4779 1 10 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.997 -0.199 18230 4780 1 10 . 1 1 84 84 ALA H H 84 7.877 7.877 8.385 -0.508 18230 4781 1 10 . 1 1 85 85 CYS N N 85 117.473 117.473 118.855 -1.382 18230 4782 1 10 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.495 -0.071 18230 4783 1 10 . 1 1 85 85 CYS C C 85 176.092 176.092 176.959 -0.867 18230 4784 1 10 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.580 -5.600 18230 4785 1 10 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.022 14.533 18230 4786 1 10 . 1 1 85 85 CYS H H 85 8.370 8.370 8.496 -0.126 18230 4787 1 10 . 1 1 86 86 ASN N N 86 119.886 119.886 118.529 1.357 18230 4788 1 10 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.478 -0.242 18230 4789 1 10 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.776 0.484 18230 4790 1 10 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.482 1.196 18230 4791 1 10 . 1 1 87 87 ASN N N 87 117.136 117.136 118.853 -1.717 18230 4792 1 10 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.456 -0.056 18230 4793 1 10 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.335 -1.303 18230 4794 1 10 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.277 -0.448 18230 4795 1 10 . 1 1 87 87 ASN H H 87 8.136 8.136 8.247 -0.111 18230 4796 1 10 . 1 1 88 88 PHE N N 88 119.001 119.001 118.712 0.289 18230 4797 1 10 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.277 0.013 18230 4798 1 10 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.451 -1.754 18230 4799 1 10 . 1 1 88 88 PHE CB C 88 39.206 39.206 38.795 0.411 18230 4800 1 10 . 1 1 88 88 PHE H H 88 7.865 7.865 8.215 -0.350 18230 4801 1 10 . 1 1 89 89 PHE N N 89 118.050 118.050 120.807 -2.757 18230 4802 1 10 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.158 0.052 18230 4803 1 10 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.660 -2.160 18230 4804 1 10 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.637 -0.150 18230 4805 1 10 . 1 1 89 89 PHE H H 89 7.924 7.924 8.497 -0.573 18230 4806 1 10 . 1 1 90 90 TRP N N 90 119.104 119.104 119.674 -0.570 18230 4807 1 10 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.549 -0.073 18230 4808 1 10 . 1 1 90 90 TRP CA C 90 57.688 57.688 59.742 -2.054 18230 4809 1 10 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.186 -0.692 18230 4810 1 10 . 1 1 90 90 TRP H H 90 7.848 7.848 8.632 -0.784 18230 4811 1 10 . 1 1 91 91 GLU N N 91 120.457 120.457 120.770 -0.313 18230 4812 1 10 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.209 -0.080 18230 4813 1 10 . 1 1 91 91 GLU CA C 91 57.039 57.039 58.911 -1.872 18230 4814 1 10 . 1 1 91 91 GLU CB C 91 30.033 30.033 29.226 0.807 18230 4815 1 10 . 1 1 91 91 GLU H H 91 7.816 7.816 8.307 -0.491 18230 4816 1 10 . 1 1 92 92 ASN N N 92 125.418 125.418 116.435 8.983 18230 4817 1 10 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.604 -0.194 18230 4818 1 10 . 1 1 92 92 ASN CA C 92 54.731 54.731 54.578 0.153 18230 4819 1 10 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.957 2.117 18230 4820 1 10 . 1 1 92 92 ASN H H 92 7.846 7.846 7.944 -0.098 18230 4821 1 11 . 1 1 2 2 SER HA H 2 4.757 4.757 4.721 0.036 18230 4822 1 11 . 1 1 2 2 SER CA C 2 57.482 57.482 57.380 0.102 18230 4823 1 11 . 1 1 2 2 SER CB C 2 64.893 64.893 64.799 0.094 18230 4824 1 11 . 1 1 3 3 GLU N N 3 123.948 123.948 127.677 -3.729 18230 4825 1 11 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.098 0.027 18230 4826 1 11 . 1 1 3 3 GLU C C 3 179.443 179.443 178.130 1.313 18230 4827 1 11 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.077 1.224 18230 4828 1 11 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.709 -0.137 18230 4829 1 11 . 1 1 3 3 GLU H H 3 9.442 9.442 9.045 0.397 18230 4830 1 11 . 1 1 4 4 LEU N N 4 120.236 120.236 119.747 0.489 18230 4831 1 11 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.037 0.038 18230 4832 1 11 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.887 0.204 18230 4833 1 11 . 1 1 4 4 LEU CB C 4 42.502 42.502 42.083 0.419 18230 4834 1 11 . 1 1 4 4 LEU H H 4 8.907 8.907 7.810 1.097 18230 4835 1 11 . 1 1 5 5 GLU N N 5 119.034 119.034 118.695 0.339 18230 4836 1 11 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.025 -0.057 18230 4837 1 11 . 1 1 5 5 GLU C C 5 179.234 179.234 178.671 0.563 18230 4838 1 11 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.326 0.814 18230 4839 1 11 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.135 0.281 18230 4840 1 11 . 1 1 5 5 GLU H H 5 8.296 8.296 8.188 0.108 18230 4841 1 11 . 1 1 6 6 THR N N 6 116.586 116.586 116.203 0.383 18230 4842 1 11 . 1 1 6 6 THR HA H 6 4.008 4.008 4.022 -0.014 18230 4843 1 11 . 1 1 6 6 THR CA C 6 66.397 66.397 66.354 0.043 18230 4844 1 11 . 1 1 6 6 THR CB C 6 68.595 68.595 68.414 0.181 18230 4845 1 11 . 1 1 6 6 THR H H 6 8.282 8.282 8.085 0.197 18230 4846 1 11 . 1 1 7 7 ALA N N 7 126.275 126.275 124.849 1.426 18230 4847 1 11 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.118 0.065 18230 4848 1 11 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.062 0.551 18230 4849 1 11 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.132 -0.192 18230 4850 1 11 . 1 1 7 7 ALA H H 7 8.141 8.141 8.153 -0.012 18230 4851 1 11 . 1 1 8 8 MET N N 8 117.071 117.071 117.873 -0.802 18230 4852 1 11 . 1 1 8 8 MET HA H 8 3.834 3.834 4.028 -0.194 18230 4853 1 11 . 1 1 8 8 MET C C 8 177.846 177.846 178.812 -0.966 18230 4854 1 11 . 1 1 8 8 MET CA C 8 60.757 60.757 59.528 1.229 18230 4855 1 11 . 1 1 8 8 MET CB C 8 34.012 34.012 32.371 1.641 18230 4856 1 11 . 1 1 8 8 MET H H 8 8.269 8.269 8.220 0.049 18230 4857 1 11 . 1 1 9 9 GLU N N 9 117.667 117.667 118.311 -0.644 18230 4858 1 11 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.150 -0.222 18230 4859 1 11 . 1 1 9 9 GLU C C 9 178.933 178.933 179.258 -0.325 18230 4860 1 11 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.459 0.404 18230 4861 1 11 . 1 1 9 9 GLU CB C 9 29.261 29.261 28.855 0.406 18230 4862 1 11 . 1 1 9 9 GLU H H 9 8.105 8.105 8.454 -0.349 18230 4863 1 11 . 1 1 10 10 THR N N 10 118.326 118.326 118.212 0.114 18230 4864 1 11 . 1 1 10 10 THR HA H 10 4.075 4.075 4.103 -0.028 18230 4865 1 11 . 1 1 10 10 THR CA C 10 67.311 67.311 67.082 0.229 18230 4866 1 11 . 1 1 10 10 THR CB C 10 67.934 67.934 68.439 -0.505 18230 4867 1 11 . 1 1 10 10 THR H H 10 8.407 8.407 8.240 0.167 18230 4868 1 11 . 1 1 11 11 LEU N N 11 119.765 119.765 121.767 -2.002 18230 4869 1 11 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.058 -0.130 18230 4870 1 11 . 1 1 11 11 LEU C C 11 180.896 180.896 178.961 1.935 18230 4871 1 11 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.403 0.878 18230 4872 1 11 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.348 0.252 18230 4873 1 11 . 1 1 11 11 LEU H H 11 8.131 8.131 8.276 -0.145 18230 4874 1 11 . 1 1 12 12 ILE N N 12 119.540 119.540 120.345 -0.805 18230 4875 1 11 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.817 0.138 18230 4876 1 11 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.824 -0.092 18230 4877 1 11 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.658 1.728 18230 4878 1 11 . 1 1 12 12 ILE H H 12 7.715 7.715 8.473 -0.758 18230 4879 1 11 . 1 1 13 13 ASN N N 13 121.587 121.587 118.262 3.325 18230 4880 1 11 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.518 0.013 18230 4881 1 11 . 1 1 13 13 ASN C C 13 178.867 178.867 178.204 0.663 18230 4882 1 11 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.216 0.213 18230 4883 1 11 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.245 -0.183 18230 4884 1 11 . 1 1 13 13 ASN H H 13 9.040 9.040 8.407 0.633 18230 4885 1 11 . 1 1 14 14 VAL N N 14 120.603 120.603 117.457 3.146 18230 4886 1 11 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.819 -0.012 18230 4887 1 11 . 1 1 14 14 VAL C C 14 177.113 177.113 177.262 -0.149 18230 4888 1 11 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.250 0.258 18230 4889 1 11 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.556 0.041 18230 4890 1 11 . 1 1 14 14 VAL H H 14 8.954 8.954 8.218 0.736 18230 4891 1 11 . 1 1 15 15 PHE N N 15 117.585 117.585 122.420 -4.835 18230 4892 1 11 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.578 -0.119 18230 4893 1 11 . 1 1 15 15 PHE C C 15 177.257 177.257 176.674 0.583 18230 4894 1 11 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.771 0.805 18230 4895 1 11 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.434 0.618 18230 4896 1 11 . 1 1 15 15 PHE H H 15 6.956 6.956 8.430 -1.474 18230 4897 1 11 . 1 1 16 16 HIS N N 16 115.204 115.204 119.801 -4.597 18230 4898 1 11 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.909 0.930 18230 4899 1 11 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.056 -0.578 18230 4900 1 11 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.633 -0.713 18230 4901 1 11 . 1 1 16 16 HIS H H 16 7.736 7.736 8.579 -0.843 18230 4902 1 11 . 1 1 17 17 ALA N N 17 123.201 123.201 121.850 1.351 18230 4903 1 11 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.787 0.249 18230 4904 1 11 . 1 1 17 17 ALA C C 17 178.867 178.867 179.628 -0.761 18230 4905 1 11 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.912 -0.767 18230 4906 1 11 . 1 1 17 17 ALA CB C 17 17.661 17.661 17.960 -0.299 18230 4907 1 11 . 1 1 17 17 ALA H H 17 8.066 8.066 7.941 0.125 18230 4908 1 11 . 1 1 18 18 HIS N N 18 113.974 113.974 116.654 -2.680 18230 4909 1 11 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.170 0.202 18230 4910 1 11 . 1 1 18 18 HIS C C 18 175.568 175.568 177.597 -2.029 18230 4911 1 11 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.518 -2.105 18230 4912 1 11 . 1 1 18 18 HIS CB C 18 32.753 32.753 30.125 2.628 18230 4913 1 11 . 1 1 18 18 HIS H H 18 7.047 7.047 8.247 -1.200 18230 4914 1 11 . 1 1 19 19 SER N N 19 113.745 113.745 114.967 -1.222 18230 4915 1 11 . 1 1 19 19 SER HA H 19 3.658 3.658 4.145 -0.487 18230 4916 1 11 . 1 1 19 19 SER CA C 19 61.247 61.247 60.869 0.378 18230 4917 1 11 . 1 1 19 19 SER CB C 19 61.323 61.323 62.325 -1.002 18230 4918 1 11 . 1 1 19 19 SER H H 19 8.470 8.470 8.078 0.392 18230 4919 1 11 . 1 1 20 20 GLY N N 20 111.711 111.711 108.733 2.978 18230 4920 1 11 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.743 -0.361 18230 4921 1 11 . 1 1 20 20 GLY H H 20 7.739 7.739 7.481 0.258 18230 4922 1 11 . 1 1 21 21 LYS N N 21 122.328 122.328 120.797 1.531 18230 4923 1 11 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.874 0.040 18230 4924 1 11 . 1 1 21 21 LYS C C 21 177.192 177.192 177.151 0.041 18230 4925 1 11 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.192 1.145 18230 4926 1 11 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.644 0.044 18230 4927 1 11 . 1 1 21 21 LYS H H 21 7.200 7.200 7.414 -0.214 18230 4928 1 11 . 1 1 22 22 GLU N N 22 115.975 115.975 117.392 -1.417 18230 4929 1 11 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.387 0.270 18230 4930 1 11 . 1 1 22 22 GLU C C 22 175.882 175.882 175.651 0.231 18230 4931 1 11 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.064 -0.960 18230 4932 1 11 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.717 0.286 18230 4933 1 11 . 1 1 22 22 GLU H H 22 9.369 9.369 7.736 1.633 18230 4934 1 11 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.221 0.614 18230 4935 1 11 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.935 0.341 18230 4936 1 11 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.914 -0.934 18230 4937 1 11 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.501 -1.293 18230 4938 1 11 . 1 1 26 26 TYR N N 26 119.825 119.825 114.789 5.036 18230 4939 1 11 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.805 -0.100 18230 4940 1 11 . 1 1 26 26 TYR C C 26 173.696 173.696 175.071 -1.375 18230 4941 1 11 . 1 1 26 26 TYR CA C 26 56.180 56.180 57.817 -1.637 18230 4942 1 11 . 1 1 26 26 TYR CB C 26 38.049 38.049 37.851 0.198 18230 4943 1 11 . 1 1 26 26 TYR H H 26 9.414 9.414 7.972 1.442 18230 4944 1 11 . 1 1 27 27 LYS N N 27 114.922 114.922 120.139 -5.217 18230 4945 1 11 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.967 0.153 18230 4946 1 11 . 1 1 27 27 LYS C C 27 174.678 174.678 174.817 -0.139 18230 4947 1 11 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.887 0.103 18230 4948 1 11 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.577 2.264 18230 4949 1 11 . 1 1 27 27 LYS H H 27 7.107 7.107 7.983 -0.876 18230 4950 1 11 . 1 1 28 28 LEU N N 28 125.976 125.976 128.189 -2.213 18230 4951 1 11 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.990 0.194 18230 4952 1 11 . 1 1 28 28 LEU CA C 28 52.775 52.775 53.217 -0.442 18230 4953 1 11 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.885 -2.848 18230 4954 1 11 . 1 1 28 28 LEU H H 28 9.757 9.757 9.435 0.322 18230 4955 1 11 . 1 1 29 29 SER N N 29 121.025 121.025 119.888 1.137 18230 4956 1 11 . 1 1 29 29 SER HA H 29 4.558 4.558 4.774 -0.216 18230 4957 1 11 . 1 1 29 29 SER C C 29 174.338 174.338 175.215 -0.877 18230 4958 1 11 . 1 1 29 29 SER CA C 29 56.208 56.208 56.235 -0.027 18230 4959 1 11 . 1 1 29 29 SER CB C 29 65.480 65.480 64.897 0.583 18230 4960 1 11 . 1 1 29 29 SER H H 29 9.908 9.908 8.138 1.770 18230 4961 1 11 . 1 1 30 30 LYS N N 30 120.385 120.385 125.575 -5.190 18230 4962 1 11 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.929 -0.082 18230 4963 1 11 . 1 1 30 30 LYS C C 30 177.859 177.859 178.429 -0.570 18230 4964 1 11 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.700 0.602 18230 4965 1 11 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.446 -0.435 18230 4966 1 11 . 1 1 30 30 LYS H H 30 8.845 8.845 9.153 -0.308 18230 4967 1 11 . 1 1 31 31 LYS N N 31 118.358 118.358 117.891 0.467 18230 4968 1 11 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.063 -0.162 18230 4969 1 11 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.610 0.003 18230 4970 1 11 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.527 1.472 18230 4971 1 11 . 1 1 31 31 LYS H H 31 7.924 7.924 8.065 -0.141 18230 4972 1 11 . 1 1 32 32 GLU N N 32 119.355 119.355 119.572 -0.217 18230 4973 1 11 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.131 -0.230 18230 4974 1 11 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.301 -0.463 18230 4975 1 11 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.513 1.150 18230 4976 1 11 . 1 1 32 32 GLU H H 32 7.502 7.502 8.147 -0.645 18230 4977 1 11 . 1 1 33 33 LEU N N 33 119.533 119.533 117.710 1.823 18230 4978 1 11 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.057 -0.149 18230 4979 1 11 . 1 1 33 33 LEU C C 33 177.571 177.571 178.700 -1.129 18230 4980 1 11 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.507 -0.732 18230 4981 1 11 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.088 0.401 18230 4982 1 11 . 1 1 33 33 LEU H H 33 9.076 9.076 8.662 0.414 18230 4983 1 11 . 1 1 34 34 LYS N N 34 119.251 119.251 119.392 -0.141 18230 4984 1 11 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.913 -0.267 18230 4985 1 11 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.373 1.210 18230 4986 1 11 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.971 0.093 18230 4987 1 11 . 1 1 34 34 LYS H H 34 8.262 8.262 8.426 -0.164 18230 4988 1 11 . 1 1 35 35 GLU N N 35 117.642 117.642 119.708 -2.066 18230 4989 1 11 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.122 -0.127 18230 4990 1 11 . 1 1 35 35 GLU C C 35 178.776 178.776 178.858 -0.082 18230 4991 1 11 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.072 0.514 18230 4992 1 11 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.831 -0.882 18230 4993 1 11 . 1 1 35 35 GLU H H 35 7.742 7.742 7.805 -0.063 18230 4994 1 11 . 1 1 36 36 LEU N N 36 124.753 124.753 122.370 2.383 18230 4995 1 11 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.060 -0.364 18230 4996 1 11 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.199 2.498 18230 4997 1 11 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.740 0.228 18230 4998 1 11 . 1 1 36 36 LEU H H 36 8.304 8.304 8.143 0.161 18230 4999 1 11 . 1 1 37 37 LEU N N 37 119.058 119.058 118.017 1.041 18230 5000 1 11 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.969 -0.242 18230 5001 1 11 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.066 0.246 18230 5002 1 11 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.906 0.894 18230 5003 1 11 . 1 1 37 37 LEU H H 37 8.684 8.684 8.341 0.343 18230 5004 1 11 . 1 1 38 38 GLN N N 38 114.728 114.728 116.565 -1.837 18230 5005 1 11 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.221 -0.280 18230 5006 1 11 . 1 1 38 38 GLN C C 38 177.584 177.584 178.108 -0.524 18230 5007 1 11 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.571 -0.092 18230 5008 1 11 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.830 0.197 18230 5009 1 11 . 1 1 38 38 GLN H H 38 8.510 8.510 7.668 0.843 18230 5010 1 11 . 1 1 39 39 THR N N 39 110.419 110.419 109.971 0.448 18230 5011 1 11 . 1 1 39 39 THR HA H 39 4.238 4.238 4.222 0.016 18230 5012 1 11 . 1 1 39 39 THR C C 39 176.341 176.341 175.716 0.625 18230 5013 1 11 . 1 1 39 39 THR CA C 39 64.874 64.874 64.474 0.400 18230 5014 1 11 . 1 1 39 39 THR CB C 39 69.919 69.919 69.008 0.911 18230 5015 1 11 . 1 1 39 39 THR H H 39 7.863 7.863 8.177 -0.314 18230 5016 1 11 . 1 1 40 40 GLU N N 40 117.514 117.514 120.380 -2.866 18230 5017 1 11 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.466 0.287 18230 5018 1 11 . 1 1 40 40 GLU C C 40 177.807 177.807 176.837 0.970 18230 5019 1 11 . 1 1 40 40 GLU CA C 40 56.482 56.482 56.862 -0.380 18230 5020 1 11 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.123 0.666 18230 5021 1 11 . 1 1 40 40 GLU H H 40 8.468 8.468 8.161 0.307 18230 5022 1 11 . 1 1 41 41 LEU N N 41 121.141 121.141 121.021 0.120 18230 5023 1 11 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.657 0.356 18230 5024 1 11 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.207 -1.377 18230 5025 1 11 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.058 0.565 18230 5026 1 11 . 1 1 41 41 LEU H H 41 7.682 7.682 8.172 -0.490 18230 5027 1 11 . 1 1 42 42 SER N N 42 116.557 116.557 118.084 -1.527 18230 5028 1 11 . 1 1 42 42 SER HA H 42 4.055 4.055 4.460 -0.405 18230 5029 1 11 . 1 1 42 42 SER C C 42 176.537 176.537 176.474 0.063 18230 5030 1 11 . 1 1 42 42 SER CA C 42 61.552 61.552 60.512 1.040 18230 5031 1 11 . 1 1 42 42 SER CB C 42 62.783 62.783 64.065 -1.282 18230 5032 1 11 . 1 1 42 42 SER H H 42 8.186 8.186 8.861 -0.675 18230 5033 1 11 . 1 1 43 43 GLY N N 43 111.517 111.517 110.738 0.779 18230 5034 1 11 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.874 -0.827 18230 5035 1 11 . 1 1 43 43 GLY H H 43 8.880 8.880 8.806 0.074 18230 5036 1 11 . 1 1 44 44 PHE N N 44 122.405 122.405 119.450 2.955 18230 5037 1 11 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.267 0.090 18230 5038 1 11 . 1 1 44 44 PHE C C 44 176.851 176.851 177.410 -0.559 18230 5039 1 11 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.120 -1.285 18230 5040 1 11 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.662 0.958 18230 5041 1 11 . 1 1 44 44 PHE H H 44 7.972 7.972 8.086 -0.114 18230 5042 1 11 . 1 1 45 45 LEU N N 45 119.444 119.444 118.567 0.877 18230 5043 1 11 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.169 -0.240 18230 5044 1 11 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.789 -0.526 18230 5045 1 11 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.423 0.534 18230 5046 1 11 . 1 1 45 45 LEU H H 45 8.148 8.148 7.791 0.357 18230 5047 1 11 . 1 1 46 46 ASP N N 46 120.023 120.023 120.072 -0.049 18230 5048 1 11 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.328 0.048 18230 5049 1 11 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.918 -1.236 18230 5050 1 11 . 1 1 46 46 ASP CB C 46 40.788 40.788 41.115 -0.327 18230 5051 1 11 . 1 1 46 46 ASP H H 46 8.307 8.307 8.488 -0.181 18230 5052 1 11 . 1 1 47 47 ALA N N 47 121.156 121.156 120.158 0.998 18230 5053 1 11 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.141 0.015 18230 5054 1 11 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.905 -0.992 18230 5055 1 11 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.930 -0.276 18230 5056 1 11 . 1 1 47 47 ALA H H 47 7.606 7.606 7.561 0.045 18230 5057 1 11 . 1 1 48 48 GLN N N 48 116.408 116.408 117.773 -1.365 18230 5058 1 11 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.457 -0.321 18230 5059 1 11 . 1 1 48 48 GLN C C 48 175.882 175.882 176.102 -0.220 18230 5060 1 11 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.666 0.696 18230 5061 1 11 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.566 -0.084 18230 5062 1 11 . 1 1 48 48 GLN H H 48 7.665 7.665 7.608 0.057 18230 5063 1 11 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.103 0.026 18230 5064 1 11 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.825 -1.119 18230 5065 1 11 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.699 -0.401 18230 5066 1 11 . 1 1 50 50 ASP N N 50 118.824 118.824 119.126 -0.302 18230 5067 1 11 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.666 -0.118 18230 5068 1 11 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.184 -0.219 18230 5069 1 11 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.574 0.461 18230 5070 1 11 . 1 1 50 50 ASP H H 50 7.982 7.982 7.959 0.023 18230 5071 1 11 . 1 1 51 51 VAL N N 51 121.055 121.055 120.475 0.580 18230 5072 1 11 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.841 0.110 18230 5073 1 11 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.784 -1.128 18230 5074 1 11 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.917 0.083 18230 5075 1 11 . 1 1 51 51 VAL H H 51 8.231 8.231 8.416 -0.185 18230 5076 1 11 . 1 1 52 52 ASP N N 52 121.189 121.189 120.643 0.546 18230 5077 1 11 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.378 0.381 18230 5078 1 11 . 1 1 52 52 ASP C C 52 176.367 176.367 177.425 -1.058 18230 5079 1 11 . 1 1 52 52 ASP CA C 52 53.716 53.716 56.761 -3.045 18230 5080 1 11 . 1 1 52 52 ASP CB C 52 40.399 40.399 40.125 0.274 18230 5081 1 11 . 1 1 52 52 ASP H H 52 8.410 8.410 8.812 -0.402 18230 5082 1 11 . 1 1 53 53 ALA N N 53 123.582 123.582 122.172 1.410 18230 5083 1 11 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.007 -0.075 18230 5084 1 11 . 1 1 53 53 ALA C C 53 179.208 179.208 179.133 0.075 18230 5085 1 11 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.039 0.228 18230 5086 1 11 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.344 0.813 18230 5087 1 11 . 1 1 53 53 ALA H H 53 7.755 7.755 7.405 0.350 18230 5088 1 11 . 1 1 54 54 VAL N N 54 116.235 116.235 118.260 -2.025 18230 5089 1 11 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.734 -0.279 18230 5090 1 11 . 1 1 54 54 VAL C C 54 176.432 176.432 177.106 -0.674 18230 5091 1 11 . 1 1 54 54 VAL CA C 54 66.244 66.244 65.935 0.309 18230 5092 1 11 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.206 -0.442 18230 5093 1 11 . 1 1 54 54 VAL H H 54 8.300 8.300 7.809 0.491 18230 5094 1 11 . 1 1 55 55 ASP N N 55 120.594 120.594 120.249 0.345 18230 5095 1 11 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.381 -0.226 18230 5096 1 11 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.703 -0.118 18230 5097 1 11 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.159 0.671 18230 5098 1 11 . 1 1 55 55 ASP H H 55 7.684 7.684 7.806 -0.122 18230 5099 1 11 . 1 1 56 56 LYS N N 56 119.178 119.178 120.225 -1.047 18230 5100 1 11 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.048 -0.120 18230 5101 1 11 . 1 1 56 56 LYS C C 56 178.697 178.697 179.299 -0.602 18230 5102 1 11 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.472 0.031 18230 5103 1 11 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.537 -0.247 18230 5104 1 11 . 1 1 56 56 LYS H H 56 7.638 7.638 8.047 -0.409 18230 5105 1 11 . 1 1 57 57 VAL N N 57 119.870 119.870 119.253 0.617 18230 5106 1 11 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.755 -0.031 18230 5107 1 11 . 1 1 57 57 VAL C C 57 177.558 177.558 178.302 -0.744 18230 5108 1 11 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.635 -0.709 18230 5109 1 11 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.679 -0.532 18230 5110 1 11 . 1 1 57 57 VAL H H 57 7.928 7.928 8.283 -0.355 18230 5111 1 11 . 1 1 58 58 MET N N 58 118.736 118.736 118.741 -0.005 18230 5112 1 11 . 1 1 58 58 MET HA H 58 3.928 3.928 4.222 -0.294 18230 5113 1 11 . 1 1 58 58 MET C C 58 177.021 177.021 177.805 -0.784 18230 5114 1 11 . 1 1 58 58 MET CA C 58 58.534 58.534 58.649 -0.115 18230 5115 1 11 . 1 1 58 58 MET CB C 58 32.065 32.065 32.163 -0.098 18230 5116 1 11 . 1 1 58 58 MET H H 58 8.443 8.443 8.425 0.018 18230 5117 1 11 . 1 1 59 59 LYS N N 59 116.214 116.214 119.205 -2.991 18230 5118 1 11 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.939 0.029 18230 5119 1 11 . 1 1 59 59 LYS C C 59 178.893 178.893 178.561 0.332 18230 5120 1 11 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.592 -0.726 18230 5121 1 11 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.983 0.082 18230 5122 1 11 . 1 1 59 59 LYS H H 59 7.629 7.629 8.481 -0.852 18230 5123 1 11 . 1 1 60 60 GLU N N 60 117.288 117.288 118.152 -0.864 18230 5124 1 11 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.097 -0.062 18230 5125 1 11 . 1 1 60 60 GLU C C 60 178.173 178.173 178.408 -0.235 18230 5126 1 11 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.490 -0.261 18230 5127 1 11 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.874 -0.068 18230 5128 1 11 . 1 1 60 60 GLU H H 60 7.599 7.599 7.465 0.135 18230 5129 1 11 . 1 1 61 61 LEU N N 61 116.163 116.163 116.772 -0.609 18230 5130 1 11 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.151 0.220 18230 5131 1 11 . 1 1 61 61 LEU C C 61 178.893 178.893 177.842 1.051 18230 5132 1 11 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.316 -1.077 18230 5133 1 11 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.314 1.627 18230 5134 1 11 . 1 1 61 61 LEU H H 61 8.060 8.060 7.220 0.840 18230 5135 1 11 . 1 1 62 62 ASP N N 62 116.934 116.934 118.519 -1.585 18230 5136 1 11 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.835 -0.169 18230 5137 1 11 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.780 -0.535 18230 5138 1 11 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.984 -0.976 18230 5139 1 11 . 1 1 62 62 ASP H H 62 8.012 8.012 8.011 0.001 18230 5140 1 11 . 1 1 63 63 GLU N N 63 129.388 129.388 126.528 2.860 18230 5141 1 11 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.008 0.014 18230 5142 1 11 . 1 1 63 63 GLU C C 63 177.519 177.519 177.982 -0.463 18230 5143 1 11 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.934 -0.262 18230 5144 1 11 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.907 0.601 18230 5145 1 11 . 1 1 63 63 GLU H H 63 8.356 8.356 8.445 -0.089 18230 5146 1 11 . 1 1 64 64 ASN N N 64 112.751 112.751 116.624 -3.873 18230 5147 1 11 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.528 0.205 18230 5148 1 11 . 1 1 64 64 ASN C C 64 176.498 176.498 176.149 0.349 18230 5149 1 11 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.383 -2.494 18230 5150 1 11 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.926 -1.754 18230 5151 1 11 . 1 1 64 64 ASN H H 64 7.997 7.997 7.866 0.131 18230 5152 1 11 . 1 1 65 65 GLY N N 65 109.265 109.265 106.995 2.270 18230 5153 1 11 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.548 1.855 18230 5154 1 11 . 1 1 65 65 GLY H H 65 7.552 7.552 8.315 -0.763 18230 5155 1 11 . 1 1 66 66 ASP N N 66 119.331 119.331 121.127 -1.796 18230 5156 1 11 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.581 -0.049 18230 5157 1 11 . 1 1 66 66 ASP CA C 66 53.190 53.190 53.119 0.071 18230 5158 1 11 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.890 -0.647 18230 5159 1 11 . 1 1 66 66 ASP H H 66 8.124 8.124 8.016 0.108 18230 5160 1 11 . 1 1 67 67 GLY N N 67 113.348 113.348 109.521 3.827 18230 5161 1 11 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.604 0.000 18230 5162 1 11 . 1 1 67 67 GLY H H 67 10.285 10.285 9.357 0.928 18230 5163 1 11 . 1 1 68 68 GLU N N 68 117.060 117.060 118.637 -1.577 18230 5164 1 11 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.805 -0.004 18230 5165 1 11 . 1 1 68 68 GLU C C 68 175.176 175.176 174.989 0.187 18230 5166 1 11 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.923 -0.414 18230 5167 1 11 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.973 3.250 18230 5168 1 11 . 1 1 68 68 GLU H H 68 7.732 7.732 7.674 0.058 18230 5169 1 11 . 1 1 69 69 VAL N N 69 125.264 125.264 121.133 4.131 18230 5170 1 11 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.752 0.488 18230 5171 1 11 . 1 1 69 69 VAL C C 69 175.961 175.961 174.869 1.092 18230 5172 1 11 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.975 0.169 18230 5173 1 11 . 1 1 69 69 VAL CB C 69 33.685 33.685 34.122 -0.437 18230 5174 1 11 . 1 1 69 69 VAL H H 69 9.392 9.392 8.724 0.668 18230 5175 1 11 . 1 1 70 70 ASP N N 70 129.378 129.378 125.436 3.942 18230 5176 1 11 . 1 1 70 70 ASP HA H 70 5.161 5.161 5.041 0.120 18230 5177 1 11 . 1 1 70 70 ASP C C 70 175.032 175.032 176.942 -1.910 18230 5178 1 11 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.044 0.371 18230 5179 1 11 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.555 -1.716 18230 5180 1 11 . 1 1 70 70 ASP H H 70 9.112 9.112 8.842 0.270 18230 5181 1 11 . 1 1 71 71 PHE N N 71 118.452 118.452 123.448 -4.996 18230 5182 1 11 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.107 -0.194 18230 5183 1 11 . 1 1 71 71 PHE C C 71 176.576 176.576 176.793 -0.217 18230 5184 1 11 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.768 2.666 18230 5185 1 11 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.797 0.434 18230 5186 1 11 . 1 1 71 71 PHE H H 71 8.948 8.948 8.592 0.356 18230 5187 1 11 . 1 1 72 72 GLN N N 72 116.934 116.934 117.686 -0.752 18230 5188 1 11 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.828 -0.140 18230 5189 1 11 . 1 1 72 72 GLN C C 72 178.056 178.056 178.268 -0.212 18230 5190 1 11 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.745 -0.152 18230 5191 1 11 . 1 1 72 72 GLN CB C 72 28.164 28.164 27.884 0.280 18230 5192 1 11 . 1 1 72 72 GLN H H 72 8.012 8.012 8.734 -0.722 18230 5193 1 11 . 1 1 73 73 GLU N N 73 120.208 120.208 120.341 -0.133 18230 5194 1 11 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.046 0.020 18230 5195 1 11 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.565 -1.059 18230 5196 1 11 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.427 0.690 18230 5197 1 11 . 1 1 73 73 GLU H H 73 8.308 8.308 7.649 0.659 18230 5198 1 11 . 1 1 74 74 TYR N N 74 121.623 121.623 121.590 0.033 18230 5199 1 11 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.174 -0.085 18230 5200 1 11 . 1 1 74 74 TYR C C 74 176.485 176.485 177.611 -1.126 18230 5201 1 11 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.776 -2.301 18230 5202 1 11 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.721 -0.715 18230 5203 1 11 . 1 1 74 74 TYR H H 74 8.339 8.339 8.621 -0.282 18230 5204 1 11 . 1 1 75 75 VAL N N 75 120.827 120.827 119.944 0.883 18230 5205 1 11 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.681 -0.807 18230 5206 1 11 . 1 1 75 75 VAL C C 75 176.563 176.563 177.673 -1.110 18230 5207 1 11 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.962 -0.608 18230 5208 1 11 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.741 -1.090 18230 5209 1 11 . 1 1 75 75 VAL H H 75 8.088 8.088 8.384 -0.296 18230 5210 1 11 . 1 1 76 76 VAL N N 76 120.216 120.216 118.129 2.087 18230 5211 1 11 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.683 -0.268 18230 5212 1 11 . 1 1 76 76 VAL C C 76 178.645 178.645 177.441 1.204 18230 5213 1 11 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.475 0.383 18230 5214 1 11 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.254 0.046 18230 5215 1 11 . 1 1 76 76 VAL H H 76 7.132 7.132 7.960 -0.828 18230 5216 1 11 . 1 1 77 77 LEU N N 77 120.900 120.900 121.565 -0.665 18230 5217 1 11 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.942 0.086 18230 5218 1 11 . 1 1 77 77 LEU C C 77 177.362 177.362 178.403 -1.041 18230 5219 1 11 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.164 -0.489 18230 5220 1 11 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.446 -0.891 18230 5221 1 11 . 1 1 77 77 LEU H H 77 6.860 6.860 7.941 -1.081 18230 5222 1 11 . 1 1 78 78 VAL N N 78 116.991 116.991 115.712 1.279 18230 5223 1 11 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.438 -0.315 18230 5224 1 11 . 1 1 78 78 VAL C C 78 179.142 179.142 177.873 1.269 18230 5225 1 11 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.880 0.948 18230 5226 1 11 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.520 0.781 18230 5227 1 11 . 1 1 78 78 VAL H H 78 7.519 7.519 7.986 -0.467 18230 5228 1 11 . 1 1 79 79 ALA N N 79 124.679 124.679 123.694 0.985 18230 5229 1 11 . 1 1 79 79 ALA HA H 79 3.687 3.687 3.985 -0.298 18230 5230 1 11 . 1 1 79 79 ALA C C 79 178.213 178.213 179.025 -0.812 18230 5231 1 11 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.924 1.084 18230 5232 1 11 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.323 -0.506 18230 5233 1 11 . 1 1 79 79 ALA H H 79 8.964 8.964 8.225 0.739 18230 5234 1 11 . 1 1 80 80 ALA N N 80 120.376 120.376 121.467 -1.091 18230 5235 1 11 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.040 -0.006 18230 5236 1 11 . 1 1 80 80 ALA C C 80 181.852 181.852 179.577 2.275 18230 5237 1 11 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.965 0.318 18230 5238 1 11 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.302 -0.502 18230 5239 1 11 . 1 1 80 80 ALA H H 80 7.794 7.794 8.346 -0.552 18230 5240 1 11 . 1 1 81 81 LEU N N 81 119.275 119.275 118.471 0.804 18230 5241 1 11 . 1 1 81 81 LEU HA H 81 4.040 4.040 3.929 0.111 18230 5242 1 11 . 1 1 81 81 LEU C C 81 179.168 179.168 179.239 -0.071 18230 5243 1 11 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.725 -0.380 18230 5244 1 11 . 1 1 81 81 LEU CB C 81 41.645 41.645 40.782 0.863 18230 5245 1 11 . 1 1 81 81 LEU H H 81 8.494 8.494 8.235 0.259 18230 5246 1 11 . 1 1 82 82 THR N N 82 119.781 119.781 116.237 3.544 18230 5247 1 11 . 1 1 82 82 THR HA H 82 3.800 3.800 3.875 -0.075 18230 5248 1 11 . 1 1 82 82 THR CA C 82 68.473 68.473 66.823 1.651 18230 5249 1 11 . 1 1 82 82 THR CB C 82 67.796 67.796 68.184 -0.388 18230 5250 1 11 . 1 1 82 82 THR H H 82 8.418 8.418 7.889 0.529 18230 5251 1 11 . 1 1 83 83 VAL N N 83 122.419 122.419 121.104 1.315 18230 5252 1 11 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.672 0.030 18230 5253 1 11 . 1 1 83 83 VAL C C 83 177.781 177.781 176.917 0.864 18230 5254 1 11 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.819 1.492 18230 5255 1 11 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.387 0.288 18230 5256 1 11 . 1 1 83 83 VAL H H 83 8.164 8.164 8.086 0.078 18230 5257 1 11 . 1 1 84 84 ALA N N 84 121.470 121.470 121.388 0.082 18230 5258 1 11 . 1 1 84 84 ALA HA H 84 4.148 4.148 3.889 0.259 18230 5259 1 11 . 1 1 84 84 ALA C C 84 180.032 180.032 178.483 1.549 18230 5260 1 11 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.039 0.066 18230 5261 1 11 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.670 0.128 18230 5262 1 11 . 1 1 84 84 ALA H H 84 7.877 7.877 8.287 -0.410 18230 5263 1 11 . 1 1 85 85 CYS N N 85 117.473 117.473 118.466 -0.993 18230 5264 1 11 . 1 1 85 85 CYS HA H 85 4.424 4.424 3.996 0.428 18230 5265 1 11 . 1 1 85 85 CYS C C 85 176.092 176.092 176.764 -0.672 18230 5266 1 11 . 1 1 85 85 CYS CA C 85 57.980 57.980 62.932 -4.952 18230 5267 1 11 . 1 1 85 85 CYS CB C 85 40.555 40.555 25.986 14.569 18230 5268 1 11 . 1 1 85 85 CYS H H 85 8.370 8.370 8.152 0.218 18230 5269 1 11 . 1 1 86 86 ASN N N 86 119.886 119.886 118.795 1.091 18230 5270 1 11 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.476 -0.240 18230 5271 1 11 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.794 0.466 18230 5272 1 11 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.438 1.240 18230 5273 1 11 . 1 1 87 87 ASN N N 87 117.136 117.136 118.926 -1.790 18230 5274 1 11 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.654 -0.254 18230 5275 1 11 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.107 -1.075 18230 5276 1 11 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.335 -0.506 18230 5277 1 11 . 1 1 87 87 ASN H H 87 8.136 8.136 8.399 -0.263 18230 5278 1 11 . 1 1 88 88 PHE N N 88 119.001 119.001 118.891 0.110 18230 5279 1 11 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.360 -0.070 18230 5280 1 11 . 1 1 88 88 PHE CA C 88 59.697 59.697 59.929 -0.232 18230 5281 1 11 . 1 1 88 88 PHE CB C 88 39.206 39.206 38.443 0.763 18230 5282 1 11 . 1 1 88 88 PHE H H 88 7.865 7.865 8.205 -0.340 18230 5283 1 11 . 1 1 89 89 PHE N N 89 118.050 118.050 118.137 -0.087 18230 5284 1 11 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.216 -0.006 18230 5285 1 11 . 1 1 89 89 PHE CA C 89 59.500 59.500 60.752 -1.252 18230 5286 1 11 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.615 -0.129 18230 5287 1 11 . 1 1 89 89 PHE H H 89 7.924 7.924 8.219 -0.295 18230 5288 1 11 . 1 1 90 90 TRP N N 90 119.104 119.104 120.072 -0.968 18230 5289 1 11 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.462 0.014 18230 5290 1 11 . 1 1 90 90 TRP CA C 90 57.688 57.688 58.743 -1.055 18230 5291 1 11 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.483 -0.989 18230 5292 1 11 . 1 1 90 90 TRP H H 90 7.848 7.848 8.205 -0.357 18230 5293 1 11 . 1 1 91 91 GLU N N 91 120.457 120.457 118.173 2.284 18230 5294 1 11 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.559 -0.430 18230 5295 1 11 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.331 1.708 18230 5296 1 11 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.308 -1.275 18230 5297 1 11 . 1 1 91 91 GLU H H 91 7.816 7.816 8.168 -0.352 18230 5298 1 11 . 1 1 92 92 ASN N N 92 125.418 125.418 121.287 4.131 18230 5299 1 11 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.411 -0.001 18230 5300 1 11 . 1 1 92 92 ASN CA C 92 54.731 54.731 54.938 -0.207 18230 5301 1 11 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.562 2.512 18230 5302 1 11 . 1 1 92 92 ASN H H 92 7.846 7.846 8.608 -0.762 18230 5303 1 12 . 1 1 2 2 SER HA H 2 4.757 4.757 4.590 0.167 18230 5304 1 12 . 1 1 2 2 SER CA C 2 57.482 57.482 58.060 -0.579 18230 5305 1 12 . 1 1 2 2 SER CB C 2 64.893 64.893 65.402 -0.509 18230 5306 1 12 . 1 1 3 3 GLU N N 3 123.948 123.948 121.757 2.191 18230 5307 1 12 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.073 0.052 18230 5308 1 12 . 1 1 3 3 GLU C C 3 179.443 179.443 179.221 0.222 18230 5309 1 12 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.281 1.019 18230 5310 1 12 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.502 0.070 18230 5311 1 12 . 1 1 3 3 GLU H H 3 9.442 9.442 8.921 0.521 18230 5312 1 12 . 1 1 4 4 LEU N N 4 120.236 120.236 121.047 -0.811 18230 5313 1 12 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.026 0.049 18230 5314 1 12 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.516 0.575 18230 5315 1 12 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.718 0.784 18230 5316 1 12 . 1 1 4 4 LEU H H 4 8.907 8.907 8.004 0.903 18230 5317 1 12 . 1 1 5 5 GLU N N 5 119.034 119.034 119.074 -0.040 18230 5318 1 12 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.036 -0.068 18230 5319 1 12 . 1 1 5 5 GLU C C 5 179.234 179.234 178.847 0.387 18230 5320 1 12 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.425 0.715 18230 5321 1 12 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.314 0.102 18230 5322 1 12 . 1 1 5 5 GLU H H 5 8.296 8.296 7.731 0.565 18230 5323 1 12 . 1 1 6 6 THR N N 6 116.586 116.586 116.268 0.318 18230 5324 1 12 . 1 1 6 6 THR HA H 6 4.008 4.008 4.086 -0.078 18230 5325 1 12 . 1 1 6 6 THR CA C 6 66.397 66.397 66.526 -0.129 18230 5326 1 12 . 1 1 6 6 THR CB C 6 68.595 68.595 68.408 0.187 18230 5327 1 12 . 1 1 6 6 THR H H 6 8.282 8.282 8.115 0.167 18230 5328 1 12 . 1 1 7 7 ALA N N 7 126.275 126.275 124.866 1.409 18230 5329 1 12 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.117 0.066 18230 5330 1 12 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.074 0.539 18230 5331 1 12 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.136 -0.196 18230 5332 1 12 . 1 1 7 7 ALA H H 7 8.141 8.141 8.176 -0.035 18230 5333 1 12 . 1 1 8 8 MET N N 8 117.071 117.071 118.019 -0.948 18230 5334 1 12 . 1 1 8 8 MET HA H 8 3.834 3.834 4.003 -0.169 18230 5335 1 12 . 1 1 8 8 MET C C 8 177.846 177.846 178.824 -0.978 18230 5336 1 12 . 1 1 8 8 MET CA C 8 60.757 60.757 59.692 1.065 18230 5337 1 12 . 1 1 8 8 MET CB C 8 34.012 34.012 32.487 1.524 18230 5338 1 12 . 1 1 8 8 MET H H 8 8.269 8.269 8.240 0.029 18230 5339 1 12 . 1 1 9 9 GLU N N 9 117.667 117.667 118.786 -1.119 18230 5340 1 12 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.071 -0.143 18230 5341 1 12 . 1 1 9 9 GLU C C 9 178.933 178.933 179.079 -0.146 18230 5342 1 12 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.756 0.107 18230 5343 1 12 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.460 -0.200 18230 5344 1 12 . 1 1 9 9 GLU H H 9 8.105 8.105 8.458 -0.353 18230 5345 1 12 . 1 1 10 10 THR N N 10 118.326 118.326 117.995 0.331 18230 5346 1 12 . 1 1 10 10 THR HA H 10 4.075 4.075 4.088 -0.013 18230 5347 1 12 . 1 1 10 10 THR CA C 10 67.311 67.311 67.219 0.092 18230 5348 1 12 . 1 1 10 10 THR CB C 10 67.934 67.934 68.407 -0.473 18230 5349 1 12 . 1 1 10 10 THR H H 10 8.407 8.407 8.228 0.179 18230 5350 1 12 . 1 1 11 11 LEU N N 11 119.765 119.765 121.763 -1.998 18230 5351 1 12 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.062 -0.134 18230 5352 1 12 . 1 1 11 11 LEU C C 11 180.896 180.896 178.963 1.933 18230 5353 1 12 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.406 0.875 18230 5354 1 12 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.350 0.250 18230 5355 1 12 . 1 1 11 11 LEU H H 11 8.131 8.131 8.285 -0.154 18230 5356 1 12 . 1 1 12 12 ILE N N 12 119.540 119.540 120.355 -0.815 18230 5357 1 12 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.834 0.121 18230 5358 1 12 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.826 -0.094 18230 5359 1 12 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.664 1.722 18230 5360 1 12 . 1 1 12 12 ILE H H 12 7.715 7.715 8.481 -0.766 18230 5361 1 12 . 1 1 13 13 ASN N N 13 121.587 121.587 118.875 2.712 18230 5362 1 12 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.553 -0.022 18230 5363 1 12 . 1 1 13 13 ASN C C 13 178.867 178.867 178.253 0.614 18230 5364 1 12 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.206 0.223 18230 5365 1 12 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.270 -0.208 18230 5366 1 12 . 1 1 13 13 ASN H H 13 9.040 9.040 8.518 0.522 18230 5367 1 12 . 1 1 14 14 VAL N N 14 120.603 120.603 117.906 2.697 18230 5368 1 12 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.861 -0.054 18230 5369 1 12 . 1 1 14 14 VAL C C 14 177.113 177.113 177.278 -0.165 18230 5370 1 12 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.081 0.427 18230 5371 1 12 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.255 0.342 18230 5372 1 12 . 1 1 14 14 VAL H H 14 8.954 8.954 8.223 0.731 18230 5373 1 12 . 1 1 15 15 PHE N N 15 117.585 117.585 121.202 -3.617 18230 5374 1 12 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.610 -0.151 18230 5375 1 12 . 1 1 15 15 PHE C C 15 177.257 177.257 176.580 0.677 18230 5376 1 12 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.911 0.665 18230 5377 1 12 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.585 0.467 18230 5378 1 12 . 1 1 15 15 PHE H H 15 6.956 6.956 8.316 -1.360 18230 5379 1 12 . 1 1 16 16 HIS N N 16 115.204 115.204 119.806 -4.602 18230 5380 1 12 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.859 0.980 18230 5381 1 12 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.643 -1.165 18230 5382 1 12 . 1 1 16 16 HIS CB C 16 28.920 28.920 30.019 -1.099 18230 5383 1 12 . 1 1 16 16 HIS H H 16 7.736 7.736 8.561 -0.825 18230 5384 1 12 . 1 1 17 17 ALA N N 17 123.201 123.201 122.135 1.066 18230 5385 1 12 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.882 0.154 18230 5386 1 12 . 1 1 17 17 ALA C C 17 178.867 178.867 179.675 -0.808 18230 5387 1 12 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.946 -0.800 18230 5388 1 12 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.003 -0.342 18230 5389 1 12 . 1 1 17 17 ALA H H 17 8.066 8.066 8.006 0.060 18230 5390 1 12 . 1 1 18 18 HIS N N 18 113.974 113.974 116.614 -2.640 18230 5391 1 12 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.185 0.187 18230 5392 1 12 . 1 1 18 18 HIS C C 18 175.568 175.568 177.578 -2.010 18230 5393 1 12 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.503 -2.090 18230 5394 1 12 . 1 1 18 18 HIS CB C 18 32.753 32.753 30.125 2.628 18230 5395 1 12 . 1 1 18 18 HIS H H 18 7.047 7.047 8.255 -1.208 18230 5396 1 12 . 1 1 19 19 SER N N 19 113.745 113.745 115.130 -1.385 18230 5397 1 12 . 1 1 19 19 SER HA H 19 3.658 3.658 4.114 -0.456 18230 5398 1 12 . 1 1 19 19 SER CA C 19 61.247 61.247 60.824 0.423 18230 5399 1 12 . 1 1 19 19 SER CB C 19 61.323 61.323 62.184 -0.861 18230 5400 1 12 . 1 1 19 19 SER H H 19 8.470 8.470 8.072 0.398 18230 5401 1 12 . 1 1 20 20 GLY N N 20 111.711 111.711 108.803 2.908 18230 5402 1 12 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.834 -0.452 18230 5403 1 12 . 1 1 20 20 GLY H H 20 7.739 7.739 7.461 0.278 18230 5404 1 12 . 1 1 21 21 LYS N N 21 122.328 122.328 120.819 1.509 18230 5405 1 12 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.891 0.023 18230 5406 1 12 . 1 1 21 21 LYS C C 21 177.192 177.192 177.155 0.037 18230 5407 1 12 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.205 1.132 18230 5408 1 12 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.663 0.025 18230 5409 1 12 . 1 1 21 21 LYS H H 21 7.200 7.200 7.427 -0.227 18230 5410 1 12 . 1 1 22 22 GLU N N 22 115.975 115.975 117.398 -1.423 18230 5411 1 12 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.385 0.272 18230 5412 1 12 . 1 1 22 22 GLU C C 22 175.882 175.882 175.642 0.240 18230 5413 1 12 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.071 -0.967 18230 5414 1 12 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.707 0.296 18230 5415 1 12 . 1 1 22 22 GLU H H 22 9.369 9.369 7.732 1.637 18230 5416 1 12 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.202 0.634 18230 5417 1 12 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.872 0.404 18230 5418 1 12 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.466 -0.486 18230 5419 1 12 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.426 -1.218 18230 5420 1 12 . 1 1 26 26 TYR N N 26 119.825 119.825 114.600 5.225 18230 5421 1 12 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.802 -0.097 18230 5422 1 12 . 1 1 26 26 TYR C C 26 173.696 173.696 174.659 -0.963 18230 5423 1 12 . 1 1 26 26 TYR CA C 26 56.180 56.180 57.192 -1.012 18230 5424 1 12 . 1 1 26 26 TYR CB C 26 38.049 38.049 38.366 -0.317 18230 5425 1 12 . 1 1 26 26 TYR H H 26 9.414 9.414 7.687 1.727 18230 5426 1 12 . 1 1 27 27 LYS N N 27 114.922 114.922 120.175 -5.253 18230 5427 1 12 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.949 0.171 18230 5428 1 12 . 1 1 27 27 LYS C C 27 174.678 174.678 174.554 0.124 18230 5429 1 12 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.937 0.053 18230 5430 1 12 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.654 2.187 18230 5431 1 12 . 1 1 27 27 LYS H H 27 7.107 7.107 7.980 -0.873 18230 5432 1 12 . 1 1 28 28 LEU N N 28 125.976 125.976 129.072 -3.096 18230 5433 1 12 . 1 1 28 28 LEU HA H 28 5.184 5.184 5.015 0.169 18230 5434 1 12 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.745 0.030 18230 5435 1 12 . 1 1 28 28 LEU CB C 28 43.037 43.037 46.134 -3.097 18230 5436 1 12 . 1 1 28 28 LEU H H 28 9.757 9.757 9.409 0.348 18230 5437 1 12 . 1 1 29 29 SER N N 29 121.025 121.025 121.106 -0.081 18230 5438 1 12 . 1 1 29 29 SER HA H 29 4.558 4.558 4.806 -0.248 18230 5439 1 12 . 1 1 29 29 SER C C 29 174.338 174.338 175.436 -1.098 18230 5440 1 12 . 1 1 29 29 SER CA C 29 56.208 56.208 56.826 -0.618 18230 5441 1 12 . 1 1 29 29 SER CB C 29 65.480 65.480 65.889 -0.409 18230 5442 1 12 . 1 1 29 29 SER H H 29 9.908 9.908 8.202 1.706 18230 5443 1 12 . 1 1 30 30 LYS N N 30 120.385 120.385 122.992 -2.607 18230 5444 1 12 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.869 -0.022 18230 5445 1 12 . 1 1 30 30 LYS C C 30 177.859 177.859 178.635 -0.776 18230 5446 1 12 . 1 1 30 30 LYS CA C 30 61.302 61.302 61.015 0.287 18230 5447 1 12 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.447 -0.436 18230 5448 1 12 . 1 1 30 30 LYS H H 30 8.845 8.845 9.164 -0.319 18230 5449 1 12 . 1 1 31 31 LYS N N 31 118.358 118.358 116.885 1.473 18230 5450 1 12 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.048 -0.147 18230 5451 1 12 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.140 0.473 18230 5452 1 12 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.838 1.161 18230 5453 1 12 . 1 1 31 31 LYS H H 31 7.924 7.924 8.309 -0.385 18230 5454 1 12 . 1 1 32 32 GLU N N 32 119.355 119.355 120.354 -0.999 18230 5455 1 12 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.101 -0.200 18230 5456 1 12 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.117 -0.279 18230 5457 1 12 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.734 0.929 18230 5458 1 12 . 1 1 32 32 GLU H H 32 7.502 7.502 7.535 -0.033 18230 5459 1 12 . 1 1 33 33 LEU N N 33 119.533 119.533 117.599 1.934 18230 5460 1 12 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.066 -0.158 18230 5461 1 12 . 1 1 33 33 LEU C C 33 177.571 177.571 178.685 -1.114 18230 5462 1 12 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.522 -0.747 18230 5463 1 12 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.105 0.384 18230 5464 1 12 . 1 1 33 33 LEU H H 33 9.076 9.076 8.650 0.426 18230 5465 1 12 . 1 1 34 34 LYS N N 34 119.251 119.251 119.104 0.147 18230 5466 1 12 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.922 -0.276 18230 5467 1 12 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.386 1.197 18230 5468 1 12 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.895 0.169 18230 5469 1 12 . 1 1 34 34 LYS H H 34 8.262 8.262 8.378 -0.116 18230 5470 1 12 . 1 1 35 35 GLU N N 35 117.642 117.642 119.603 -1.961 18230 5471 1 12 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.102 -0.107 18230 5472 1 12 . 1 1 35 35 GLU C C 35 178.776 178.776 178.848 -0.072 18230 5473 1 12 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.081 0.505 18230 5474 1 12 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.786 -0.837 18230 5475 1 12 . 1 1 35 35 GLU H H 35 7.742 7.742 7.792 -0.050 18230 5476 1 12 . 1 1 36 36 LEU N N 36 124.753 124.753 122.316 2.437 18230 5477 1 12 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.096 -0.400 18230 5478 1 12 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.222 2.475 18230 5479 1 12 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.781 0.187 18230 5480 1 12 . 1 1 36 36 LEU H H 36 8.304 8.304 8.111 0.193 18230 5481 1 12 . 1 1 37 37 LEU N N 37 119.058 119.058 118.086 0.972 18230 5482 1 12 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.981 -0.254 18230 5483 1 12 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.066 0.245 18230 5484 1 12 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.918 0.882 18230 5485 1 12 . 1 1 37 37 LEU H H 37 8.684 8.684 8.332 0.352 18230 5486 1 12 . 1 1 38 38 GLN N N 38 114.728 114.728 116.902 -2.174 18230 5487 1 12 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.194 -0.253 18230 5488 1 12 . 1 1 38 38 GLN C C 38 177.584 177.584 178.517 -0.933 18230 5489 1 12 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.837 -0.359 18230 5490 1 12 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.877 0.150 18230 5491 1 12 . 1 1 38 38 GLN H H 38 8.510 8.510 7.670 0.840 18230 5492 1 12 . 1 1 39 39 THR N N 39 110.419 110.419 110.732 -0.313 18230 5493 1 12 . 1 1 39 39 THR HA H 39 4.238 4.238 4.170 0.068 18230 5494 1 12 . 1 1 39 39 THR C C 39 176.341 176.341 175.984 0.357 18230 5495 1 12 . 1 1 39 39 THR CA C 39 64.874 64.874 64.906 -0.032 18230 5496 1 12 . 1 1 39 39 THR CB C 39 69.919 69.919 68.966 0.953 18230 5497 1 12 . 1 1 39 39 THR H H 39 7.863 7.863 8.014 -0.151 18230 5498 1 12 . 1 1 40 40 GLU N N 40 117.514 117.514 120.202 -2.688 18230 5499 1 12 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.501 0.252 18230 5500 1 12 . 1 1 40 40 GLU C C 40 177.807 177.807 176.800 1.007 18230 5501 1 12 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.126 -0.644 18230 5502 1 12 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.053 0.736 18230 5503 1 12 . 1 1 40 40 GLU H H 40 8.468 8.468 8.120 0.348 18230 5504 1 12 . 1 1 41 41 LEU N N 41 121.141 121.141 121.437 -0.296 18230 5505 1 12 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.625 0.388 18230 5506 1 12 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.498 -1.669 18230 5507 1 12 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.070 0.553 18230 5508 1 12 . 1 1 41 41 LEU H H 41 7.682 7.682 8.195 -0.513 18230 5509 1 12 . 1 1 42 42 SER N N 42 116.557 116.557 118.213 -1.656 18230 5510 1 12 . 1 1 42 42 SER HA H 42 4.055 4.055 4.510 -0.455 18230 5511 1 12 . 1 1 42 42 SER C C 42 176.537 176.537 176.532 0.005 18230 5512 1 12 . 1 1 42 42 SER CA C 42 61.552 61.552 60.418 1.134 18230 5513 1 12 . 1 1 42 42 SER CB C 42 62.783 62.783 64.147 -1.364 18230 5514 1 12 . 1 1 42 42 SER H H 42 8.186 8.186 8.807 -0.622 18230 5515 1 12 . 1 1 43 43 GLY N N 43 111.517 111.517 111.264 0.253 18230 5516 1 12 . 1 1 43 43 GLY CA C 43 46.047 46.047 47.241 -1.194 18230 5517 1 12 . 1 1 43 43 GLY H H 43 8.880 8.880 8.645 0.235 18230 5518 1 12 . 1 1 44 44 PHE N N 44 122.405 122.405 120.297 2.108 18230 5519 1 12 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.239 0.118 18230 5520 1 12 . 1 1 44 44 PHE C C 44 176.851 176.851 177.338 -0.487 18230 5521 1 12 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.506 -1.671 18230 5522 1 12 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.518 1.102 18230 5523 1 12 . 1 1 44 44 PHE H H 44 7.972 7.972 7.866 0.106 18230 5524 1 12 . 1 1 45 45 LEU N N 45 119.444 119.444 118.852 0.592 18230 5525 1 12 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.156 -0.227 18230 5526 1 12 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.614 -0.351 18230 5527 1 12 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.352 0.605 18230 5528 1 12 . 1 1 45 45 LEU H H 45 8.148 8.148 7.759 0.389 18230 5529 1 12 . 1 1 46 46 ASP N N 46 120.023 120.023 120.010 0.013 18230 5530 1 12 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.330 0.046 18230 5531 1 12 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.641 -0.959 18230 5532 1 12 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.688 0.100 18230 5533 1 12 . 1 1 46 46 ASP H H 46 8.307 8.307 8.496 -0.189 18230 5534 1 12 . 1 1 47 47 ALA N N 47 121.156 121.156 122.356 -1.200 18230 5535 1 12 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.034 0.122 18230 5536 1 12 . 1 1 47 47 ALA CA C 47 52.913 52.913 54.548 -1.635 18230 5537 1 12 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.105 0.549 18230 5538 1 12 . 1 1 47 47 ALA H H 47 7.606 7.606 7.920 -0.314 18230 5539 1 12 . 1 1 48 48 GLN N N 48 116.408 116.408 117.420 -1.012 18230 5540 1 12 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.152 -0.016 18230 5541 1 12 . 1 1 48 48 GLN C C 48 175.882 175.882 176.202 -0.320 18230 5542 1 12 . 1 1 48 48 GLN CA C 48 55.362 55.362 56.153 -0.791 18230 5543 1 12 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.765 -0.283 18230 5544 1 12 . 1 1 48 48 GLN H H 48 7.665 7.665 7.718 -0.053 18230 5545 1 12 . 1 1 49 49 LYS HA H 49 4.129 4.129 3.934 0.195 18230 5546 1 12 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.281 -0.575 18230 5547 1 12 . 1 1 49 49 LYS CB C 49 32.298 32.298 30.634 1.664 18230 5548 1 12 . 1 1 50 50 ASP N N 50 118.824 118.824 117.091 1.733 18230 5549 1 12 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.865 -0.317 18230 5550 1 12 . 1 1 50 50 ASP CA C 50 53.965 53.965 53.172 0.793 18230 5551 1 12 . 1 1 50 50 ASP CB C 50 42.035 42.035 43.848 -1.813 18230 5552 1 12 . 1 1 50 50 ASP H H 50 7.982 7.982 8.064 -0.082 18230 5553 1 12 . 1 1 51 51 VAL N N 51 121.055 121.055 119.597 1.458 18230 5554 1 12 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.924 0.027 18230 5555 1 12 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.522 -0.867 18230 5556 1 12 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.639 0.361 18230 5557 1 12 . 1 1 51 51 VAL H H 51 8.231 8.231 8.505 -0.274 18230 5558 1 12 . 1 1 52 52 ASP N N 52 121.189 121.189 120.241 0.948 18230 5559 1 12 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.661 0.098 18230 5560 1 12 . 1 1 52 52 ASP C C 52 176.367 176.367 176.907 -0.540 18230 5561 1 12 . 1 1 52 52 ASP CA C 52 53.716 53.716 54.849 -1.133 18230 5562 1 12 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.469 0.930 18230 5563 1 12 . 1 1 52 52 ASP H H 52 8.410 8.410 8.651 -0.241 18230 5564 1 12 . 1 1 53 53 ALA N N 53 123.582 123.582 123.758 -0.176 18230 5565 1 12 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.063 -0.131 18230 5566 1 12 . 1 1 53 53 ALA C C 53 179.208 179.208 178.691 0.517 18230 5567 1 12 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.189 0.078 18230 5568 1 12 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.593 0.564 18230 5569 1 12 . 1 1 53 53 ALA H H 53 7.755 7.755 7.408 0.347 18230 5570 1 12 . 1 1 54 54 VAL N N 54 116.235 116.235 118.266 -2.031 18230 5571 1 12 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.728 -0.273 18230 5572 1 12 . 1 1 54 54 VAL C C 54 176.432 176.432 176.905 -0.473 18230 5573 1 12 . 1 1 54 54 VAL CA C 54 66.244 66.244 65.692 0.552 18230 5574 1 12 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.277 -0.513 18230 5575 1 12 . 1 1 54 54 VAL H H 54 8.300 8.300 7.887 0.413 18230 5576 1 12 . 1 1 55 55 ASP N N 55 120.594 120.594 119.578 1.016 18230 5577 1 12 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.342 -0.187 18230 5578 1 12 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.908 -0.324 18230 5579 1 12 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.230 0.600 18230 5580 1 12 . 1 1 55 55 ASP H H 55 7.684 7.684 8.484 -0.800 18230 5581 1 12 . 1 1 56 56 LYS N N 56 119.178 119.178 120.184 -1.006 18230 5582 1 12 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.055 -0.127 18230 5583 1 12 . 1 1 56 56 LYS C C 56 178.697 178.697 179.293 -0.596 18230 5584 1 12 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.400 0.103 18230 5585 1 12 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.588 -0.298 18230 5586 1 12 . 1 1 56 56 LYS H H 56 7.638 7.638 8.017 -0.379 18230 5587 1 12 . 1 1 57 57 VAL N N 57 119.870 119.870 119.182 0.688 18230 5588 1 12 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.786 -0.062 18230 5589 1 12 . 1 1 57 57 VAL C C 57 177.558 177.558 178.291 -0.733 18230 5590 1 12 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.494 -0.568 18230 5591 1 12 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.686 -0.538 18230 5592 1 12 . 1 1 57 57 VAL H H 57 7.928 7.928 8.248 -0.320 18230 5593 1 12 . 1 1 58 58 MET N N 58 118.736 118.736 118.388 0.348 18230 5594 1 12 . 1 1 58 58 MET HA H 58 3.928 3.928 4.208 -0.280 18230 5595 1 12 . 1 1 58 58 MET C C 58 177.021 177.021 177.820 -0.799 18230 5596 1 12 . 1 1 58 58 MET CA C 58 58.534 58.534 58.839 -0.305 18230 5597 1 12 . 1 1 58 58 MET CB C 58 32.065 32.065 32.115 -0.050 18230 5598 1 12 . 1 1 58 58 MET H H 58 8.443 8.443 8.437 0.006 18230 5599 1 12 . 1 1 59 59 LYS N N 59 116.214 116.214 118.544 -2.330 18230 5600 1 12 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.984 -0.016 18230 5601 1 12 . 1 1 59 59 LYS C C 59 178.893 178.893 178.498 0.395 18230 5602 1 12 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.708 -0.842 18230 5603 1 12 . 1 1 59 59 LYS CB C 59 32.065 32.065 32.128 -0.063 18230 5604 1 12 . 1 1 59 59 LYS H H 59 7.629 7.629 7.875 -0.246 18230 5605 1 12 . 1 1 60 60 GLU N N 60 117.288 117.288 116.958 0.330 18230 5606 1 12 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.159 -0.124 18230 5607 1 12 . 1 1 60 60 GLU C C 60 178.173 178.173 178.478 -0.305 18230 5608 1 12 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.347 -0.118 18230 5609 1 12 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.643 0.163 18230 5610 1 12 . 1 1 60 60 GLU H H 60 7.599 7.599 7.526 0.073 18230 5611 1 12 . 1 1 61 61 LEU N N 61 116.163 116.163 118.950 -2.787 18230 5612 1 12 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.179 0.191 18230 5613 1 12 . 1 1 61 61 LEU C C 61 178.893 178.893 177.850 1.043 18230 5614 1 12 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.249 -1.010 18230 5615 1 12 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.193 1.748 18230 5616 1 12 . 1 1 61 61 LEU H H 61 8.060 8.060 7.285 0.775 18230 5617 1 12 . 1 1 62 62 ASP N N 62 116.934 116.934 118.443 -1.509 18230 5618 1 12 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.866 -0.200 18230 5619 1 12 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.804 -0.559 18230 5620 1 12 . 1 1 62 62 ASP CB C 62 39.009 39.009 40.049 -1.040 18230 5621 1 12 . 1 1 62 62 ASP H H 62 8.012 8.012 8.064 -0.052 18230 5622 1 12 . 1 1 63 63 GLU N N 63 129.388 129.388 126.624 2.764 18230 5623 1 12 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.009 0.013 18230 5624 1 12 . 1 1 63 63 GLU C C 63 177.519 177.519 177.972 -0.453 18230 5625 1 12 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.927 -0.255 18230 5626 1 12 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.914 0.593 18230 5627 1 12 . 1 1 63 63 GLU H H 63 8.356 8.356 8.458 -0.102 18230 5628 1 12 . 1 1 64 64 ASN N N 64 112.751 112.751 116.607 -3.856 18230 5629 1 12 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.527 0.206 18230 5630 1 12 . 1 1 64 64 ASN C C 64 176.498 176.498 176.161 0.337 18230 5631 1 12 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.427 -2.538 18230 5632 1 12 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.939 -1.767 18230 5633 1 12 . 1 1 64 64 ASN H H 64 7.997 7.997 7.902 0.095 18230 5634 1 12 . 1 1 65 65 GLY N N 65 109.265 109.265 106.984 2.281 18230 5635 1 12 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.550 1.853 18230 5636 1 12 . 1 1 65 65 GLY H H 65 7.552 7.552 8.378 -0.826 18230 5637 1 12 . 1 1 66 66 ASP N N 66 119.331 119.331 121.100 -1.769 18230 5638 1 12 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.585 -0.053 18230 5639 1 12 . 1 1 66 66 ASP CA C 66 53.190 53.190 53.108 0.082 18230 5640 1 12 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.910 -0.667 18230 5641 1 12 . 1 1 66 66 ASP H H 66 8.124 8.124 8.025 0.099 18230 5642 1 12 . 1 1 67 67 GLY N N 67 113.348 113.348 109.484 3.864 18230 5643 1 12 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.572 0.032 18230 5644 1 12 . 1 1 67 67 GLY H H 67 10.285 10.285 9.378 0.907 18230 5645 1 12 . 1 1 68 68 GLU N N 68 117.060 117.060 118.485 -1.425 18230 5646 1 12 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.787 0.014 18230 5647 1 12 . 1 1 68 68 GLU C C 68 175.176 175.176 174.934 0.242 18230 5648 1 12 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.898 -0.388 18230 5649 1 12 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.704 3.519 18230 5650 1 12 . 1 1 68 68 GLU H H 68 7.732 7.732 7.696 0.036 18230 5651 1 12 . 1 1 69 69 VAL N N 69 125.264 125.264 121.341 3.923 18230 5652 1 12 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.814 0.426 18230 5653 1 12 . 1 1 69 69 VAL C C 69 175.961 175.961 175.230 0.731 18230 5654 1 12 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.338 0.806 18230 5655 1 12 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.264 0.421 18230 5656 1 12 . 1 1 69 69 VAL H H 69 9.392 9.392 8.851 0.541 18230 5657 1 12 . 1 1 70 70 ASP N N 70 129.378 129.378 126.067 3.311 18230 5658 1 12 . 1 1 70 70 ASP HA H 70 5.161 5.161 5.008 0.153 18230 5659 1 12 . 1 1 70 70 ASP C C 70 175.032 175.032 176.962 -1.930 18230 5660 1 12 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.177 0.238 18230 5661 1 12 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.589 -1.750 18230 5662 1 12 . 1 1 70 70 ASP H H 70 9.112 9.112 8.904 0.208 18230 5663 1 12 . 1 1 71 71 PHE N N 71 118.452 118.452 123.428 -4.976 18230 5664 1 12 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.121 -0.208 18230 5665 1 12 . 1 1 71 71 PHE C C 71 176.576 176.576 176.807 -0.231 18230 5666 1 12 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.764 2.670 18230 5667 1 12 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.781 0.450 18230 5668 1 12 . 1 1 71 71 PHE H H 71 8.948 8.948 8.619 0.329 18230 5669 1 12 . 1 1 72 72 GLN N N 72 116.934 116.934 117.711 -0.777 18230 5670 1 12 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.838 -0.150 18230 5671 1 12 . 1 1 72 72 GLN C C 72 178.056 178.056 178.272 -0.216 18230 5672 1 12 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.765 -0.172 18230 5673 1 12 . 1 1 72 72 GLN CB C 72 28.164 28.164 27.892 0.272 18230 5674 1 12 . 1 1 72 72 GLN H H 72 8.012 8.012 8.730 -0.718 18230 5675 1 12 . 1 1 73 73 GLU N N 73 120.208 120.208 120.400 -0.192 18230 5676 1 12 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.058 0.008 18230 5677 1 12 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.578 -1.072 18230 5678 1 12 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.436 0.680 18230 5679 1 12 . 1 1 73 73 GLU H H 73 8.308 8.308 7.659 0.649 18230 5680 1 12 . 1 1 74 74 TYR N N 74 121.623 121.623 121.589 0.034 18230 5681 1 12 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.194 -0.105 18230 5682 1 12 . 1 1 74 74 TYR C C 74 176.485 176.485 177.627 -1.142 18230 5683 1 12 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.791 -2.316 18230 5684 1 12 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.743 -0.737 18230 5685 1 12 . 1 1 74 74 TYR H H 74 8.339 8.339 8.731 -0.392 18230 5686 1 12 . 1 1 75 75 VAL N N 75 120.827 120.827 119.973 0.854 18230 5687 1 12 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.702 -0.828 18230 5688 1 12 . 1 1 75 75 VAL C C 75 176.563 176.563 177.702 -1.139 18230 5689 1 12 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.903 -0.549 18230 5690 1 12 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.733 -1.082 18230 5691 1 12 . 1 1 75 75 VAL H H 75 8.088 8.088 8.373 -0.285 18230 5692 1 12 . 1 1 76 76 VAL N N 76 120.216 120.216 118.127 2.089 18230 5693 1 12 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.702 -0.287 18230 5694 1 12 . 1 1 76 76 VAL C C 76 178.645 178.645 177.457 1.188 18230 5695 1 12 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.496 0.362 18230 5696 1 12 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.256 0.044 18230 5697 1 12 . 1 1 76 76 VAL H H 76 7.132 7.132 7.977 -0.845 18230 5698 1 12 . 1 1 77 77 LEU N N 77 120.900 120.900 122.024 -1.124 18230 5699 1 12 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.920 0.108 18230 5700 1 12 . 1 1 77 77 LEU C C 77 177.362 177.362 178.230 -0.868 18230 5701 1 12 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.479 -0.804 18230 5702 1 12 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.656 -1.101 18230 5703 1 12 . 1 1 77 77 LEU H H 77 6.860 6.860 7.825 -0.965 18230 5704 1 12 . 1 1 78 78 VAL N N 78 116.991 116.991 115.426 1.565 18230 5705 1 12 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.507 -0.384 18230 5706 1 12 . 1 1 78 78 VAL C C 78 179.142 179.142 177.664 1.478 18230 5707 1 12 . 1 1 78 78 VAL CA C 78 66.828 66.828 66.106 0.722 18230 5708 1 12 . 1 1 78 78 VAL CB C 78 31.301 31.301 31.159 0.142 18230 5709 1 12 . 1 1 78 78 VAL H H 78 7.519 7.519 7.970 -0.451 18230 5710 1 12 . 1 1 79 79 ALA N N 79 124.679 124.679 122.976 1.703 18230 5711 1 12 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.031 -0.344 18230 5712 1 12 . 1 1 79 79 ALA C C 79 178.213 178.213 179.046 -0.833 18230 5713 1 12 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.861 1.147 18230 5714 1 12 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.343 -0.526 18230 5715 1 12 . 1 1 79 79 ALA H H 79 8.964 8.964 8.197 0.767 18230 5716 1 12 . 1 1 80 80 ALA N N 80 120.376 120.376 121.490 -1.114 18230 5717 1 12 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.081 -0.047 18230 5718 1 12 . 1 1 80 80 ALA C C 80 181.852 181.852 179.640 2.212 18230 5719 1 12 . 1 1 80 80 ALA CA C 80 55.283 55.283 55.013 0.270 18230 5720 1 12 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.347 -0.547 18230 5721 1 12 . 1 1 80 80 ALA H H 80 7.794 7.794 8.407 -0.613 18230 5722 1 12 . 1 1 81 81 LEU N N 81 119.275 119.275 118.565 0.710 18230 5723 1 12 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.112 -0.072 18230 5724 1 12 . 1 1 81 81 LEU C C 81 179.168 179.168 179.332 -0.164 18230 5725 1 12 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.829 -0.484 18230 5726 1 12 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.141 0.504 18230 5727 1 12 . 1 1 81 81 LEU H H 81 8.494 8.494 8.328 0.166 18230 5728 1 12 . 1 1 82 82 THR N N 82 119.781 119.781 116.724 3.057 18230 5729 1 12 . 1 1 82 82 THR HA H 82 3.800 3.800 3.888 -0.088 18230 5730 1 12 . 1 1 82 82 THR CA C 82 68.473 68.473 67.703 0.770 18230 5731 1 12 . 1 1 82 82 THR CB C 82 67.796 67.796 68.519 -0.724 18230 5732 1 12 . 1 1 82 82 THR H H 82 8.418 8.418 7.880 0.538 18230 5733 1 12 . 1 1 83 83 VAL N N 83 122.419 122.419 121.322 1.097 18230 5734 1 12 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.695 0.007 18230 5735 1 12 . 1 1 83 83 VAL C C 83 177.781 177.781 176.453 1.328 18230 5736 1 12 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.827 1.484 18230 5737 1 12 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.611 0.064 18230 5738 1 12 . 1 1 83 83 VAL H H 83 8.164 8.164 8.040 0.124 18230 5739 1 12 . 1 1 84 84 ALA N N 84 121.470 121.470 121.775 -0.305 18230 5740 1 12 . 1 1 84 84 ALA HA H 84 4.148 4.148 3.915 0.233 18230 5741 1 12 . 1 1 84 84 ALA C C 84 180.032 180.032 179.323 0.709 18230 5742 1 12 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.226 -0.121 18230 5743 1 12 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.842 -0.044 18230 5744 1 12 . 1 1 84 84 ALA H H 84 7.877 7.877 8.365 -0.488 18230 5745 1 12 . 1 1 85 85 CYS N N 85 117.473 117.473 118.986 -1.513 18230 5746 1 12 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.532 -0.108 18230 5747 1 12 . 1 1 85 85 CYS C C 85 176.092 176.092 176.961 -0.869 18230 5748 1 12 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.354 -5.374 18230 5749 1 12 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.093 14.462 18230 5750 1 12 . 1 1 85 85 CYS H H 85 8.370 8.370 8.500 -0.130 18230 5751 1 12 . 1 1 86 86 ASN N N 86 119.886 119.886 118.567 1.319 18230 5752 1 12 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.515 -0.279 18230 5753 1 12 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.784 0.476 18230 5754 1 12 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.446 1.232 18230 5755 1 12 . 1 1 87 87 ASN N N 87 117.136 117.136 118.978 -1.842 18230 5756 1 12 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.458 -0.058 18230 5757 1 12 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.077 -1.045 18230 5758 1 12 . 1 1 87 87 ASN CB C 87 37.829 37.829 37.873 -0.044 18230 5759 1 12 . 1 1 87 87 ASN H H 87 8.136 8.136 8.304 -0.168 18230 5760 1 12 . 1 1 88 88 PHE N N 88 119.001 119.001 119.667 -0.666 18230 5761 1 12 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.456 -0.166 18230 5762 1 12 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.406 -1.709 18230 5763 1 12 . 1 1 88 88 PHE CB C 88 39.206 39.206 38.844 0.362 18230 5764 1 12 . 1 1 88 88 PHE H H 88 7.865 7.865 8.137 -0.272 18230 5765 1 12 . 1 1 89 89 PHE N N 89 118.050 118.050 119.926 -1.876 18230 5766 1 12 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.141 0.069 18230 5767 1 12 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.401 -1.901 18230 5768 1 12 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.888 -0.401 18230 5769 1 12 . 1 1 89 89 PHE H H 89 7.924 7.924 8.144 -0.220 18230 5770 1 12 . 1 1 90 90 TRP N N 90 119.104 119.104 119.256 -0.152 18230 5771 1 12 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.478 -0.002 18230 5772 1 12 . 1 1 90 90 TRP CA C 90 57.688 57.688 59.175 -1.487 18230 5773 1 12 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.514 -1.020 18230 5774 1 12 . 1 1 90 90 TRP H H 90 7.848 7.848 8.293 -0.445 18230 5775 1 12 . 1 1 91 91 GLU N N 91 120.457 120.457 117.991 2.466 18230 5776 1 12 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.588 -0.459 18230 5777 1 12 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.367 1.672 18230 5778 1 12 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.178 -1.145 18230 5779 1 12 . 1 1 91 91 GLU H H 91 7.816 7.816 8.090 -0.274 18230 5780 1 12 . 1 1 92 92 ASN N N 92 125.418 125.418 116.675 8.743 18230 5781 1 12 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.417 -0.007 18230 5782 1 12 . 1 1 92 92 ASN CA C 92 54.731 54.731 53.541 1.190 18230 5783 1 12 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.012 3.062 18230 5784 1 12 . 1 1 92 92 ASN H H 92 7.846 7.846 8.712 -0.866 18230 5785 1 13 . 1 1 2 2 SER HA H 2 4.757 4.757 4.158 0.599 18230 5786 1 13 . 1 1 2 2 SER CA C 2 57.482 57.482 59.061 -1.579 18230 5787 1 13 . 1 1 2 2 SER CB C 2 64.893 64.893 62.915 1.978 18230 5788 1 13 . 1 1 3 3 GLU N N 3 123.948 123.948 120.800 3.148 18230 5789 1 13 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.046 0.079 18230 5790 1 13 . 1 1 3 3 GLU C C 3 179.443 179.443 178.908 0.535 18230 5791 1 13 . 1 1 3 3 GLU CA C 3 60.300 60.300 58.938 1.362 18230 5792 1 13 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.597 -0.025 18230 5793 1 13 . 1 1 3 3 GLU H H 3 9.442 9.442 8.595 0.847 18230 5794 1 13 . 1 1 4 4 LEU N N 4 120.236 120.236 121.133 -0.897 18230 5795 1 13 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.099 -0.024 18230 5796 1 13 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.782 0.309 18230 5797 1 13 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.546 0.956 18230 5798 1 13 . 1 1 4 4 LEU H H 4 8.907 8.907 8.048 0.859 18230 5799 1 13 . 1 1 5 5 GLU N N 5 119.034 119.034 118.781 0.253 18230 5800 1 13 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.015 -0.047 18230 5801 1 13 . 1 1 5 5 GLU C C 5 179.234 179.234 179.001 0.233 18230 5802 1 13 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.707 0.433 18230 5803 1 13 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.247 0.169 18230 5804 1 13 . 1 1 5 5 GLU H H 5 8.296 8.296 8.650 -0.354 18230 5805 1 13 . 1 1 6 6 THR N N 6 116.586 116.586 116.239 0.347 18230 5806 1 13 . 1 1 6 6 THR HA H 6 4.008 4.008 4.086 -0.078 18230 5807 1 13 . 1 1 6 6 THR CA C 6 66.397 66.397 66.461 -0.064 18230 5808 1 13 . 1 1 6 6 THR CB C 6 68.595 68.595 68.379 0.216 18230 5809 1 13 . 1 1 6 6 THR H H 6 8.282 8.282 7.956 0.326 18230 5810 1 13 . 1 1 7 7 ALA N N 7 126.275 126.275 124.862 1.413 18230 5811 1 13 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.113 0.070 18230 5812 1 13 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.084 0.529 18230 5813 1 13 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.113 -0.173 18230 5814 1 13 . 1 1 7 7 ALA H H 7 8.141 8.141 8.178 -0.037 18230 5815 1 13 . 1 1 8 8 MET N N 8 117.071 117.071 118.030 -0.959 18230 5816 1 13 . 1 1 8 8 MET HA H 8 3.834 3.834 4.005 -0.171 18230 5817 1 13 . 1 1 8 8 MET C C 8 177.846 177.846 178.813 -0.967 18230 5818 1 13 . 1 1 8 8 MET CA C 8 60.757 60.757 59.696 1.061 18230 5819 1 13 . 1 1 8 8 MET CB C 8 34.012 34.012 32.480 1.532 18230 5820 1 13 . 1 1 8 8 MET H H 8 8.269 8.269 8.253 0.016 18230 5821 1 13 . 1 1 9 9 GLU N N 9 117.667 117.667 119.032 -1.365 18230 5822 1 13 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.067 -0.139 18230 5823 1 13 . 1 1 9 9 GLU C C 9 178.933 178.933 179.205 -0.272 18230 5824 1 13 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.758 0.105 18230 5825 1 13 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.474 -0.213 18230 5826 1 13 . 1 1 9 9 GLU H H 9 8.105 8.105 8.443 -0.338 18230 5827 1 13 . 1 1 10 10 THR N N 10 118.326 118.326 118.129 0.197 18230 5828 1 13 . 1 1 10 10 THR HA H 10 4.075 4.075 4.052 0.023 18230 5829 1 13 . 1 1 10 10 THR CA C 10 67.311 67.311 67.010 0.301 18230 5830 1 13 . 1 1 10 10 THR CB C 10 67.934 67.934 68.691 -0.757 18230 5831 1 13 . 1 1 10 10 THR H H 10 8.407 8.407 8.205 0.202 18230 5832 1 13 . 1 1 11 11 LEU N N 11 119.765 119.765 122.000 -2.235 18230 5833 1 13 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.103 -0.175 18230 5834 1 13 . 1 1 11 11 LEU C C 11 180.896 180.896 179.080 1.816 18230 5835 1 13 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.396 0.885 18230 5836 1 13 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.434 0.166 18230 5837 1 13 . 1 1 11 11 LEU H H 11 8.131 8.131 8.291 -0.160 18230 5838 1 13 . 1 1 12 12 ILE N N 12 119.540 119.540 120.353 -0.813 18230 5839 1 13 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.801 0.154 18230 5840 1 13 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.815 -0.083 18230 5841 1 13 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.654 1.732 18230 5842 1 13 . 1 1 12 12 ILE H H 12 7.715 7.715 8.479 -0.764 18230 5843 1 13 . 1 1 13 13 ASN N N 13 121.587 121.587 118.859 2.728 18230 5844 1 13 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.554 -0.023 18230 5845 1 13 . 1 1 13 13 ASN C C 13 178.867 178.867 178.233 0.634 18230 5846 1 13 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.264 0.165 18230 5847 1 13 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.107 -0.045 18230 5848 1 13 . 1 1 13 13 ASN H H 13 9.040 9.040 8.600 0.440 18230 5849 1 13 . 1 1 14 14 VAL N N 14 120.603 120.603 117.947 2.656 18230 5850 1 13 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.827 -0.020 18230 5851 1 13 . 1 1 14 14 VAL C C 14 177.113 177.113 177.300 -0.187 18230 5852 1 13 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.446 0.062 18230 5853 1 13 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.514 0.083 18230 5854 1 13 . 1 1 14 14 VAL H H 14 8.954 8.954 8.229 0.725 18230 5855 1 13 . 1 1 15 15 PHE N N 15 117.585 117.585 121.893 -4.308 18230 5856 1 13 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.551 -0.092 18230 5857 1 13 . 1 1 15 15 PHE C C 15 177.257 177.257 176.494 0.763 18230 5858 1 13 . 1 1 15 15 PHE CA C 15 62.576 62.576 62.257 0.319 18230 5859 1 13 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.505 0.547 18230 5860 1 13 . 1 1 15 15 PHE H H 15 6.956 6.956 8.190 -1.234 18230 5861 1 13 . 1 1 16 16 HIS N N 16 115.204 115.204 119.857 -4.653 18230 5862 1 13 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.932 0.907 18230 5863 1 13 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.157 -0.679 18230 5864 1 13 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.673 -0.753 18230 5865 1 13 . 1 1 16 16 HIS H H 16 7.736 7.736 8.515 -0.779 18230 5866 1 13 . 1 1 17 17 ALA N N 17 123.201 123.201 121.755 1.446 18230 5867 1 13 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.773 0.263 18230 5868 1 13 . 1 1 17 17 ALA C C 17 178.867 178.867 179.644 -0.777 18230 5869 1 13 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.972 -0.827 18230 5870 1 13 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.108 -0.447 18230 5871 1 13 . 1 1 17 17 ALA H H 17 8.066 8.066 7.961 0.105 18230 5872 1 13 . 1 1 18 18 HIS N N 18 113.974 113.974 116.722 -2.748 18230 5873 1 13 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.152 0.220 18230 5874 1 13 . 1 1 18 18 HIS C C 18 175.568 175.568 177.713 -2.145 18230 5875 1 13 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.637 -2.224 18230 5876 1 13 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.556 3.197 18230 5877 1 13 . 1 1 18 18 HIS H H 18 7.047 7.047 8.308 -1.261 18230 5878 1 13 . 1 1 19 19 SER N N 19 113.745 113.745 115.160 -1.415 18230 5879 1 13 . 1 1 19 19 SER HA H 19 3.658 3.658 4.159 -0.501 18230 5880 1 13 . 1 1 19 19 SER CA C 19 61.247 61.247 60.931 0.316 18230 5881 1 13 . 1 1 19 19 SER CB C 19 61.323 61.323 62.004 -0.681 18230 5882 1 13 . 1 1 19 19 SER H H 19 8.470 8.470 8.000 0.470 18230 5883 1 13 . 1 1 20 20 GLY N N 20 111.711 111.711 109.106 2.605 18230 5884 1 13 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.963 -0.581 18230 5885 1 13 . 1 1 20 20 GLY H H 20 7.739 7.739 7.542 0.197 18230 5886 1 13 . 1 1 21 21 LYS N N 21 122.328 122.328 120.392 1.936 18230 5887 1 13 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.905 0.009 18230 5888 1 13 . 1 1 21 21 LYS C C 21 177.192 177.192 177.060 0.132 18230 5889 1 13 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.112 1.225 18230 5890 1 13 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.664 0.024 18230 5891 1 13 . 1 1 21 21 LYS H H 21 7.200 7.200 7.430 -0.230 18230 5892 1 13 . 1 1 22 22 GLU N N 22 115.975 115.975 117.394 -1.419 18230 5893 1 13 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.421 0.236 18230 5894 1 13 . 1 1 22 22 GLU C C 22 175.882 175.882 176.091 -0.209 18230 5895 1 13 . 1 1 22 22 GLU CA C 22 54.104 54.104 54.860 -0.756 18230 5896 1 13 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.474 0.529 18230 5897 1 13 . 1 1 22 22 GLU H H 22 9.369 9.369 7.673 1.696 18230 5898 1 13 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.614 0.222 18230 5899 1 13 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.984 0.292 18230 5900 1 13 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.275 -0.295 18230 5901 1 13 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.246 -1.038 18230 5902 1 13 . 1 1 26 26 TYR N N 26 119.825 119.825 114.269 5.556 18230 5903 1 13 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.750 -0.045 18230 5904 1 13 . 1 1 26 26 TYR C C 26 173.696 173.696 174.777 -1.081 18230 5905 1 13 . 1 1 26 26 TYR CA C 26 56.180 56.180 58.133 -1.953 18230 5906 1 13 . 1 1 26 26 TYR CB C 26 38.049 38.049 38.561 -0.512 18230 5907 1 13 . 1 1 26 26 TYR H H 26 9.414 9.414 7.763 1.651 18230 5908 1 13 . 1 1 27 27 LYS N N 27 114.922 114.922 119.936 -5.014 18230 5909 1 13 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.875 0.245 18230 5910 1 13 . 1 1 27 27 LYS C C 27 174.678 174.678 174.167 0.511 18230 5911 1 13 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.905 0.085 18230 5912 1 13 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.710 2.131 18230 5913 1 13 . 1 1 27 27 LYS H H 27 7.107 7.107 7.837 -0.730 18230 5914 1 13 . 1 1 28 28 LEU N N 28 125.976 125.976 127.377 -1.401 18230 5915 1 13 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.930 0.254 18230 5916 1 13 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.691 0.084 18230 5917 1 13 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.646 -2.609 18230 5918 1 13 . 1 1 28 28 LEU H H 28 9.757 9.757 9.178 0.579 18230 5919 1 13 . 1 1 29 29 SER N N 29 121.025 121.025 121.183 -0.158 18230 5920 1 13 . 1 1 29 29 SER HA H 29 4.558 4.558 4.819 -0.261 18230 5921 1 13 . 1 1 29 29 SER C C 29 174.338 174.338 175.384 -1.046 18230 5922 1 13 . 1 1 29 29 SER CA C 29 56.208 56.208 56.747 -0.539 18230 5923 1 13 . 1 1 29 29 SER CB C 29 65.480 65.480 66.021 -0.541 18230 5924 1 13 . 1 1 29 29 SER H H 29 9.908 9.908 8.180 1.728 18230 5925 1 13 . 1 1 30 30 LYS N N 30 120.385 120.385 123.149 -2.764 18230 5926 1 13 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.877 -0.030 18230 5927 1 13 . 1 1 30 30 LYS C C 30 177.859 177.859 178.599 -0.740 18230 5928 1 13 . 1 1 30 30 LYS CA C 30 61.302 61.302 61.009 0.293 18230 5929 1 13 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.353 -0.342 18230 5930 1 13 . 1 1 30 30 LYS H H 30 8.845 8.845 9.160 -0.315 18230 5931 1 13 . 1 1 31 31 LYS N N 31 118.358 118.358 116.849 1.509 18230 5932 1 13 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.046 -0.145 18230 5933 1 13 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.136 0.477 18230 5934 1 13 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.836 1.163 18230 5935 1 13 . 1 1 31 31 LYS H H 31 7.924 7.924 8.315 -0.391 18230 5936 1 13 . 1 1 32 32 GLU N N 32 119.355 119.355 120.345 -0.990 18230 5937 1 13 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.103 -0.202 18230 5938 1 13 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.114 -0.276 18230 5939 1 13 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.741 0.922 18230 5940 1 13 . 1 1 32 32 GLU H H 32 7.502 7.502 7.526 -0.024 18230 5941 1 13 . 1 1 33 33 LEU N N 33 119.533 119.533 117.474 2.059 18230 5942 1 13 . 1 1 33 33 LEU HA H 33 3.908 3.908 3.997 -0.089 18230 5943 1 13 . 1 1 33 33 LEU C C 33 177.571 177.571 178.658 -1.087 18230 5944 1 13 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.571 -0.796 18230 5945 1 13 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.044 0.445 18230 5946 1 13 . 1 1 33 33 LEU H H 33 9.076 9.076 8.681 0.395 18230 5947 1 13 . 1 1 34 34 LYS N N 34 119.251 119.251 119.371 -0.120 18230 5948 1 13 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.912 -0.266 18230 5949 1 13 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.365 1.218 18230 5950 1 13 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.963 0.102 18230 5951 1 13 . 1 1 34 34 LYS H H 34 8.262 8.262 8.430 -0.168 18230 5952 1 13 . 1 1 35 35 GLU N N 35 117.642 117.642 119.744 -2.102 18230 5953 1 13 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.130 -0.135 18230 5954 1 13 . 1 1 35 35 GLU C C 35 178.776 178.776 178.953 -0.177 18230 5955 1 13 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.118 0.468 18230 5956 1 13 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.830 -0.881 18230 5957 1 13 . 1 1 35 35 GLU H H 35 7.742 7.742 7.807 -0.065 18230 5958 1 13 . 1 1 36 36 LEU N N 36 124.753 124.753 122.264 2.489 18230 5959 1 13 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.304 -0.608 18230 5960 1 13 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.234 2.463 18230 5961 1 13 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.599 0.369 18230 5962 1 13 . 1 1 36 36 LEU H H 36 8.304 8.304 8.174 0.130 18230 5963 1 13 . 1 1 37 37 LEU N N 37 119.058 119.058 118.735 0.323 18230 5964 1 13 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.968 -0.241 18230 5965 1 13 . 1 1 37 37 LEU CA C 37 58.312 58.312 57.990 0.322 18230 5966 1 13 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.799 1.001 18230 5967 1 13 . 1 1 37 37 LEU H H 37 8.684 8.684 8.419 0.265 18230 5968 1 13 . 1 1 38 38 GLN N N 38 114.728 114.728 116.600 -1.872 18230 5969 1 13 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.218 -0.277 18230 5970 1 13 . 1 1 38 38 GLN C C 38 177.584 177.584 178.128 -0.544 18230 5971 1 13 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.487 -0.009 18230 5972 1 13 . 1 1 38 38 GLN CB C 38 29.027 29.027 29.004 0.023 18230 5973 1 13 . 1 1 38 38 GLN H H 38 8.510 8.510 7.650 0.860 18230 5974 1 13 . 1 1 39 39 THR N N 39 110.419 110.419 109.423 0.996 18230 5975 1 13 . 1 1 39 39 THR HA H 39 4.238 4.238 4.203 0.035 18230 5976 1 13 . 1 1 39 39 THR C C 39 176.341 176.341 176.017 0.324 18230 5977 1 13 . 1 1 39 39 THR CA C 39 64.874 64.874 64.433 0.441 18230 5978 1 13 . 1 1 39 39 THR CB C 39 69.919 69.919 69.377 0.542 18230 5979 1 13 . 1 1 39 39 THR H H 39 7.863 7.863 7.946 -0.083 18230 5980 1 13 . 1 1 40 40 GLU N N 40 117.514 117.514 120.124 -2.610 18230 5981 1 13 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.484 0.269 18230 5982 1 13 . 1 1 40 40 GLU C C 40 177.807 177.807 176.660 1.147 18230 5983 1 13 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.102 -0.620 18230 5984 1 13 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.132 0.657 18230 5985 1 13 . 1 1 40 40 GLU H H 40 8.468 8.468 8.143 0.325 18230 5986 1 13 . 1 1 41 41 LEU N N 41 121.141 121.141 120.990 0.151 18230 5987 1 13 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.696 0.317 18230 5988 1 13 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.091 -1.261 18230 5989 1 13 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.120 0.504 18230 5990 1 13 . 1 1 41 41 LEU H H 41 7.682 7.682 8.140 -0.458 18230 5991 1 13 . 1 1 42 42 SER N N 42 116.557 116.557 117.986 -1.429 18230 5992 1 13 . 1 1 42 42 SER HA H 42 4.055 4.055 4.465 -0.410 18230 5993 1 13 . 1 1 42 42 SER C C 42 176.537 176.537 176.587 -0.050 18230 5994 1 13 . 1 1 42 42 SER CA C 42 61.552 61.552 59.322 2.230 18230 5995 1 13 . 1 1 42 42 SER CB C 42 62.783 62.783 64.077 -1.294 18230 5996 1 13 . 1 1 42 42 SER H H 42 8.186 8.186 8.767 -0.581 18230 5997 1 13 . 1 1 43 43 GLY N N 43 111.517 111.517 110.696 0.821 18230 5998 1 13 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.813 -0.766 18230 5999 1 13 . 1 1 43 43 GLY H H 43 8.880 8.880 8.809 0.071 18230 6000 1 13 . 1 1 44 44 PHE N N 44 122.405 122.405 119.806 2.599 18230 6001 1 13 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.157 0.200 18230 6002 1 13 . 1 1 44 44 PHE C C 44 176.851 176.851 177.482 -0.631 18230 6003 1 13 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.218 -1.383 18230 6004 1 13 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.641 0.979 18230 6005 1 13 . 1 1 44 44 PHE H H 44 7.972 7.972 8.030 -0.058 18230 6006 1 13 . 1 1 45 45 LEU N N 45 119.444 119.444 118.972 0.472 18230 6007 1 13 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.100 -0.171 18230 6008 1 13 . 1 1 45 45 LEU CA C 45 56.263 56.263 57.098 -0.835 18230 6009 1 13 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.291 0.666 18230 6010 1 13 . 1 1 45 45 LEU H H 45 8.148 8.148 7.730 0.418 18230 6011 1 13 . 1 1 46 46 ASP N N 46 120.023 120.023 120.221 -0.198 18230 6012 1 13 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.383 -0.007 18230 6013 1 13 . 1 1 46 46 ASP CA C 46 55.682 55.682 57.157 -1.476 18230 6014 1 13 . 1 1 46 46 ASP CB C 46 40.788 40.788 41.062 -0.274 18230 6015 1 13 . 1 1 46 46 ASP H H 46 8.307 8.307 8.609 -0.302 18230 6016 1 13 . 1 1 47 47 ALA N N 47 121.156 121.156 122.289 -1.133 18230 6017 1 13 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.063 0.093 18230 6018 1 13 . 1 1 47 47 ALA CA C 47 52.913 52.913 54.615 -1.702 18230 6019 1 13 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.090 0.564 18230 6020 1 13 . 1 1 47 47 ALA H H 47 7.606 7.606 8.060 -0.454 18230 6021 1 13 . 1 1 48 48 GLN N N 48 116.408 116.408 116.675 -0.267 18230 6022 1 13 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.138 -0.002 18230 6023 1 13 . 1 1 48 48 GLN C C 48 175.882 175.882 177.454 -1.572 18230 6024 1 13 . 1 1 48 48 GLN CA C 48 55.362 55.362 56.530 -1.168 18230 6025 1 13 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.860 -0.378 18230 6026 1 13 . 1 1 48 48 GLN H H 48 7.665 7.665 7.900 -0.235 18230 6027 1 13 . 1 1 49 49 LYS HA H 49 4.129 4.129 3.967 0.162 18230 6028 1 13 . 1 1 49 49 LYS CA C 49 56.706 56.706 58.261 -1.555 18230 6029 1 13 . 1 1 49 49 LYS CB C 49 32.298 32.298 31.367 0.931 18230 6030 1 13 . 1 1 50 50 ASP N N 50 118.824 118.824 120.300 -1.476 18230 6031 1 13 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.648 -0.100 18230 6032 1 13 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.041 -0.076 18230 6033 1 13 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.255 0.780 18230 6034 1 13 . 1 1 50 50 ASP H H 50 7.982 7.982 8.026 -0.044 18230 6035 1 13 . 1 1 51 51 VAL N N 51 121.055 121.055 121.070 -0.015 18230 6036 1 13 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.939 0.012 18230 6037 1 13 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.940 -1.284 18230 6038 1 13 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.735 0.265 18230 6039 1 13 . 1 1 51 51 VAL H H 51 8.231 8.231 8.364 -0.133 18230 6040 1 13 . 1 1 52 52 ASP N N 52 121.189 121.189 120.197 0.992 18230 6041 1 13 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.652 0.107 18230 6042 1 13 . 1 1 52 52 ASP C C 52 176.367 176.367 176.958 -0.591 18230 6043 1 13 . 1 1 52 52 ASP CA C 52 53.716 53.716 54.830 -1.114 18230 6044 1 13 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.335 1.064 18230 6045 1 13 . 1 1 52 52 ASP H H 52 8.410 8.410 8.623 -0.213 18230 6046 1 13 . 1 1 53 53 ALA N N 53 123.582 123.582 123.710 -0.128 18230 6047 1 13 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.055 -0.123 18230 6048 1 13 . 1 1 53 53 ALA C C 53 179.208 179.208 178.605 0.603 18230 6049 1 13 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.260 0.007 18230 6050 1 13 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.608 0.549 18230 6051 1 13 . 1 1 53 53 ALA H H 53 7.755 7.755 7.428 0.327 18230 6052 1 13 . 1 1 54 54 VAL N N 54 116.235 116.235 118.132 -1.897 18230 6053 1 13 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.637 -0.182 18230 6054 1 13 . 1 1 54 54 VAL C C 54 176.432 176.432 176.460 -0.028 18230 6055 1 13 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.097 0.147 18230 6056 1 13 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.647 -0.883 18230 6057 1 13 . 1 1 54 54 VAL H H 54 8.300 8.300 7.847 0.453 18230 6058 1 13 . 1 1 55 55 ASP N N 55 120.594 120.594 119.210 1.384 18230 6059 1 13 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.327 -0.172 18230 6060 1 13 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.675 -0.091 18230 6061 1 13 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.012 0.818 18230 6062 1 13 . 1 1 55 55 ASP H H 55 7.684 7.684 8.557 -0.873 18230 6063 1 13 . 1 1 56 56 LYS N N 56 119.178 119.178 120.055 -0.877 18230 6064 1 13 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.033 -0.105 18230 6065 1 13 . 1 1 56 56 LYS C C 56 178.697 178.697 179.231 -0.534 18230 6066 1 13 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.387 0.116 18230 6067 1 13 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.520 -0.230 18230 6068 1 13 . 1 1 56 56 LYS H H 56 7.638 7.638 7.979 -0.341 18230 6069 1 13 . 1 1 57 57 VAL N N 57 119.870 119.870 119.187 0.683 18230 6070 1 13 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.757 -0.033 18230 6071 1 13 . 1 1 57 57 VAL C C 57 177.558 177.558 178.110 -0.552 18230 6072 1 13 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.388 -0.461 18230 6073 1 13 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.758 -0.611 18230 6074 1 13 . 1 1 57 57 VAL H H 57 7.928 7.928 8.147 -0.219 18230 6075 1 13 . 1 1 58 58 MET N N 58 118.736 118.736 118.182 0.554 18230 6076 1 13 . 1 1 58 58 MET HA H 58 3.928 3.928 4.147 -0.219 18230 6077 1 13 . 1 1 58 58 MET C C 58 177.021 177.021 177.879 -0.858 18230 6078 1 13 . 1 1 58 58 MET CA C 58 58.534 58.534 59.193 -0.659 18230 6079 1 13 . 1 1 58 58 MET CB C 58 32.065 32.065 32.102 -0.037 18230 6080 1 13 . 1 1 58 58 MET H H 58 8.443 8.443 8.339 0.104 18230 6081 1 13 . 1 1 59 59 LYS N N 59 116.214 116.214 118.528 -2.314 18230 6082 1 13 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.982 -0.014 18230 6083 1 13 . 1 1 59 59 LYS C C 59 178.893 178.893 178.481 0.412 18230 6084 1 13 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.638 -0.772 18230 6085 1 13 . 1 1 59 59 LYS CB C 59 32.065 32.065 32.149 -0.084 18230 6086 1 13 . 1 1 59 59 LYS H H 59 7.629 7.629 7.860 -0.231 18230 6087 1 13 . 1 1 60 60 GLU N N 60 117.288 117.288 116.880 0.408 18230 6088 1 13 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.164 -0.129 18230 6089 1 13 . 1 1 60 60 GLU C C 60 178.173 178.173 178.434 -0.261 18230 6090 1 13 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.281 -0.052 18230 6091 1 13 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.686 0.121 18230 6092 1 13 . 1 1 60 60 GLU H H 60 7.599 7.599 7.524 0.075 18230 6093 1 13 . 1 1 61 61 LEU N N 61 116.163 116.163 118.866 -2.703 18230 6094 1 13 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.178 0.192 18230 6095 1 13 . 1 1 61 61 LEU C C 61 178.893 178.893 177.743 1.150 18230 6096 1 13 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.243 -1.004 18230 6097 1 13 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.214 1.727 18230 6098 1 13 . 1 1 61 61 LEU H H 61 8.060 8.060 7.279 0.781 18230 6099 1 13 . 1 1 62 62 ASP N N 62 116.934 116.934 118.162 -1.228 18230 6100 1 13 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.851 -0.185 18230 6101 1 13 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.751 -0.506 18230 6102 1 13 . 1 1 62 62 ASP CB C 62 39.009 39.009 40.399 -1.390 18230 6103 1 13 . 1 1 62 62 ASP H H 62 8.012 8.012 8.030 -0.018 18230 6104 1 13 . 1 1 63 63 GLU N N 63 129.388 129.388 126.728 2.660 18230 6105 1 13 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.046 -0.024 18230 6106 1 13 . 1 1 63 63 GLU C C 63 177.519 177.519 177.826 -0.307 18230 6107 1 13 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.730 -0.058 18230 6108 1 13 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.934 0.573 18230 6109 1 13 . 1 1 63 63 GLU H H 63 8.356 8.356 8.342 0.014 18230 6110 1 13 . 1 1 64 64 ASN N N 64 112.751 112.751 116.360 -3.609 18230 6111 1 13 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.541 0.192 18230 6112 1 13 . 1 1 64 64 ASN C C 64 176.498 176.498 175.998 0.500 18230 6113 1 13 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.384 -2.495 18230 6114 1 13 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.927 -1.755 18230 6115 1 13 . 1 1 64 64 ASN H H 64 7.997 7.997 8.069 -0.072 18230 6116 1 13 . 1 1 65 65 GLY N N 65 109.265 109.265 106.858 2.407 18230 6117 1 13 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.565 1.838 18230 6118 1 13 . 1 1 65 65 GLY H H 65 7.552 7.552 8.172 -0.620 18230 6119 1 13 . 1 1 66 66 ASP N N 66 119.331 119.331 121.919 -2.588 18230 6120 1 13 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.468 0.064 18230 6121 1 13 . 1 1 66 66 ASP CA C 66 53.190 53.190 54.306 -1.116 18230 6122 1 13 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.903 -0.660 18230 6123 1 13 . 1 1 66 66 ASP H H 66 8.124 8.124 7.970 0.154 18230 6124 1 13 . 1 1 67 67 GLY N N 67 113.348 113.348 107.834 5.514 18230 6125 1 13 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.015 0.589 18230 6126 1 13 . 1 1 67 67 GLY H H 67 10.285 10.285 9.222 1.063 18230 6127 1 13 . 1 1 68 68 GLU N N 68 117.060 117.060 119.112 -2.052 18230 6128 1 13 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.808 -0.007 18230 6129 1 13 . 1 1 68 68 GLU C C 68 175.176 175.176 175.041 0.135 18230 6130 1 13 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.876 -0.366 18230 6131 1 13 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.491 3.732 18230 6132 1 13 . 1 1 68 68 GLU H H 68 7.732 7.732 8.867 -1.135 18230 6133 1 13 . 1 1 69 69 VAL N N 69 125.264 125.264 121.069 4.195 18230 6134 1 13 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.709 0.531 18230 6135 1 13 . 1 1 69 69 VAL C C 69 175.961 175.961 175.175 0.786 18230 6136 1 13 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.438 0.706 18230 6137 1 13 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.384 0.301 18230 6138 1 13 . 1 1 69 69 VAL H H 69 9.392 9.392 8.935 0.457 18230 6139 1 13 . 1 1 70 70 ASP N N 70 129.378 129.378 125.795 3.583 18230 6140 1 13 . 1 1 70 70 ASP HA H 70 5.161 5.161 5.000 0.161 18230 6141 1 13 . 1 1 70 70 ASP C C 70 175.032 175.032 176.742 -1.710 18230 6142 1 13 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.645 -0.230 18230 6143 1 13 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.916 -2.077 18230 6144 1 13 . 1 1 70 70 ASP H H 70 9.112 9.112 7.996 1.116 18230 6145 1 13 . 1 1 71 71 PHE N N 71 118.452 118.452 122.514 -4.062 18230 6146 1 13 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.257 -0.344 18230 6147 1 13 . 1 1 71 71 PHE C C 71 176.576 176.576 176.991 -0.415 18230 6148 1 13 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.272 3.162 18230 6149 1 13 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.747 0.484 18230 6150 1 13 . 1 1 71 71 PHE H H 71 8.948 8.948 9.256 -0.308 18230 6151 1 13 . 1 1 72 72 GLN N N 72 116.934 116.934 117.118 -0.184 18230 6152 1 13 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.834 -0.146 18230 6153 1 13 . 1 1 72 72 GLN C C 72 178.056 178.056 178.216 -0.160 18230 6154 1 13 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.670 -0.078 18230 6155 1 13 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.294 -0.130 18230 6156 1 13 . 1 1 72 72 GLN H H 72 8.012 8.012 8.367 -0.355 18230 6157 1 13 . 1 1 73 73 GLU N N 73 120.208 120.208 120.473 -0.265 18230 6158 1 13 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.066 0.000 18230 6159 1 13 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.329 -0.823 18230 6160 1 13 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.299 0.818 18230 6161 1 13 . 1 1 73 73 GLU H H 73 8.308 8.308 7.693 0.615 18230 6162 1 13 . 1 1 74 74 TYR N N 74 121.623 121.623 121.777 -0.154 18230 6163 1 13 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.191 -0.102 18230 6164 1 13 . 1 1 74 74 TYR C C 74 176.485 176.485 177.649 -1.164 18230 6165 1 13 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.702 -2.227 18230 6166 1 13 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.804 -0.798 18230 6167 1 13 . 1 1 74 74 TYR H H 74 8.339 8.339 8.647 -0.308 18230 6168 1 13 . 1 1 75 75 VAL N N 75 120.827 120.827 119.560 1.267 18230 6169 1 13 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.711 -0.837 18230 6170 1 13 . 1 1 75 75 VAL C C 75 176.563 176.563 178.008 -1.445 18230 6171 1 13 . 1 1 75 75 VAL CA C 75 66.354 66.354 67.020 -0.666 18230 6172 1 13 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.626 -0.975 18230 6173 1 13 . 1 1 75 75 VAL H H 75 8.088 8.088 8.416 -0.328 18230 6174 1 13 . 1 1 76 76 VAL N N 76 120.216 120.216 118.190 2.026 18230 6175 1 13 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.713 -0.298 18230 6176 1 13 . 1 1 76 76 VAL C C 76 178.645 178.645 177.639 1.006 18230 6177 1 13 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.404 0.453 18230 6178 1 13 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.126 0.174 18230 6179 1 13 . 1 1 76 76 VAL H H 76 7.132 7.132 7.961 -0.829 18230 6180 1 13 . 1 1 77 77 LEU N N 77 120.900 120.900 122.043 -1.143 18230 6181 1 13 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.903 0.125 18230 6182 1 13 . 1 1 77 77 LEU C C 77 177.362 177.362 178.213 -0.851 18230 6183 1 13 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.450 -0.775 18230 6184 1 13 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.643 -1.088 18230 6185 1 13 . 1 1 77 77 LEU H H 77 6.860 6.860 7.840 -0.980 18230 6186 1 13 . 1 1 78 78 VAL N N 78 116.991 116.991 115.464 1.527 18230 6187 1 13 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.456 -0.333 18230 6188 1 13 . 1 1 78 78 VAL C C 78 179.142 179.142 177.790 1.352 18230 6189 1 13 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.940 0.888 18230 6190 1 13 . 1 1 78 78 VAL CB C 78 31.301 31.301 31.207 0.094 18230 6191 1 13 . 1 1 78 78 VAL H H 78 7.519 7.519 7.956 -0.437 18230 6192 1 13 . 1 1 79 79 ALA N N 79 124.679 124.679 122.765 1.914 18230 6193 1 13 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.017 -0.330 18230 6194 1 13 . 1 1 79 79 ALA C C 79 178.213 178.213 179.081 -0.868 18230 6195 1 13 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.898 1.109 18230 6196 1 13 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.323 -0.506 18230 6197 1 13 . 1 1 79 79 ALA H H 79 8.964 8.964 8.194 0.770 18230 6198 1 13 . 1 1 80 80 ALA N N 80 120.376 120.376 121.493 -1.117 18230 6199 1 13 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.074 -0.040 18230 6200 1 13 . 1 1 80 80 ALA C C 80 181.852 181.852 179.636 2.216 18230 6201 1 13 . 1 1 80 80 ALA CA C 80 55.283 55.283 55.004 0.279 18230 6202 1 13 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.327 -0.527 18230 6203 1 13 . 1 1 80 80 ALA H H 80 7.794 7.794 8.354 -0.560 18230 6204 1 13 . 1 1 81 81 LEU N N 81 119.275 119.275 118.479 0.796 18230 6205 1 13 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.040 -0.000 18230 6206 1 13 . 1 1 81 81 LEU C C 81 179.168 179.168 179.396 -0.228 18230 6207 1 13 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.872 -0.527 18230 6208 1 13 . 1 1 81 81 LEU CB C 81 41.645 41.645 40.876 0.769 18230 6209 1 13 . 1 1 81 81 LEU H H 81 8.494 8.494 8.236 0.258 18230 6210 1 13 . 1 1 82 82 THR N N 82 119.781 119.781 116.724 3.057 18230 6211 1 13 . 1 1 82 82 THR HA H 82 3.800 3.800 3.885 -0.085 18230 6212 1 13 . 1 1 82 82 THR CA C 82 68.473 68.473 67.346 1.127 18230 6213 1 13 . 1 1 82 82 THR CB C 82 67.796 67.796 68.620 -0.824 18230 6214 1 13 . 1 1 82 82 THR H H 82 8.418 8.418 7.852 0.566 18230 6215 1 13 . 1 1 83 83 VAL N N 83 122.419 122.419 121.843 0.576 18230 6216 1 13 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.750 -0.048 18230 6217 1 13 . 1 1 83 83 VAL C C 83 177.781 177.781 176.559 1.222 18230 6218 1 13 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.677 1.633 18230 6219 1 13 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.602 0.073 18230 6220 1 13 . 1 1 83 83 VAL H H 83 8.164 8.164 8.167 -0.003 18230 6221 1 13 . 1 1 84 84 ALA N N 84 121.470 121.470 121.648 -0.178 18230 6222 1 13 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.106 0.042 18230 6223 1 13 . 1 1 84 84 ALA C C 84 180.032 180.032 179.585 0.447 18230 6224 1 13 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.163 -0.057 18230 6225 1 13 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.828 -0.030 18230 6226 1 13 . 1 1 84 84 ALA H H 84 7.877 7.877 8.357 -0.480 18230 6227 1 13 . 1 1 85 85 CYS N N 85 117.473 117.473 118.902 -1.429 18230 6228 1 13 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.354 0.070 18230 6229 1 13 . 1 1 85 85 CYS C C 85 176.092 176.092 176.837 -0.745 18230 6230 1 13 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.026 -5.046 18230 6231 1 13 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.125 14.430 18230 6232 1 13 . 1 1 85 85 CYS H H 85 8.370 8.370 8.317 0.053 18230 6233 1 13 . 1 1 86 86 ASN N N 86 119.886 119.886 118.692 1.194 18230 6234 1 13 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.538 -0.302 18230 6235 1 13 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.835 0.425 18230 6236 1 13 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.471 1.207 18230 6237 1 13 . 1 1 87 87 ASN N N 87 117.136 117.136 118.686 -1.550 18230 6238 1 13 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.547 -0.147 18230 6239 1 13 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.140 -1.108 18230 6240 1 13 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.157 -0.328 18230 6241 1 13 . 1 1 87 87 ASN H H 87 8.136 8.136 8.477 -0.341 18230 6242 1 13 . 1 1 88 88 PHE N N 88 119.001 119.001 121.759 -2.758 18230 6243 1 13 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.244 0.046 18230 6244 1 13 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.370 -1.673 18230 6245 1 13 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.246 -0.040 18230 6246 1 13 . 1 1 88 88 PHE H H 88 7.865 7.865 8.084 -0.219 18230 6247 1 13 . 1 1 89 89 PHE N N 89 118.050 118.050 117.736 0.314 18230 6248 1 13 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.176 0.034 18230 6249 1 13 . 1 1 89 89 PHE CA C 89 59.500 59.500 60.916 -1.416 18230 6250 1 13 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.583 -0.096 18230 6251 1 13 . 1 1 89 89 PHE H H 89 7.924 7.924 8.353 -0.429 18230 6252 1 13 . 1 1 90 90 TRP N N 90 119.104 119.104 120.035 -0.931 18230 6253 1 13 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.423 0.053 18230 6254 1 13 . 1 1 90 90 TRP CA C 90 57.688 57.688 58.738 -1.050 18230 6255 1 13 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.445 -0.952 18230 6256 1 13 . 1 1 90 90 TRP H H 90 7.848 7.848 8.170 -0.322 18230 6257 1 13 . 1 1 91 91 GLU N N 91 120.457 120.457 118.051 2.406 18230 6258 1 13 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.464 -0.335 18230 6259 1 13 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.456 1.583 18230 6260 1 13 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.226 -1.192 18230 6261 1 13 . 1 1 91 91 GLU H H 91 7.816 7.816 8.020 -0.204 18230 6262 1 13 . 1 1 92 92 ASN N N 92 125.418 125.418 120.092 5.326 18230 6263 1 13 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.305 0.105 18230 6264 1 13 . 1 1 92 92 ASN CA C 92 54.731 54.731 55.257 -0.526 18230 6265 1 13 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.839 2.235 18230 6266 1 13 . 1 1 92 92 ASN H H 92 7.846 7.846 8.485 -0.639 18230 6267 1 14 . 1 1 2 2 SER HA H 2 4.757 4.757 4.383 0.374 18230 6268 1 14 . 1 1 2 2 SER CA C 2 57.482 57.482 60.000 -2.518 18230 6269 1 14 . 1 1 2 2 SER CB C 2 64.893 64.893 63.316 1.577 18230 6270 1 14 . 1 1 3 3 GLU N N 3 123.948 123.948 123.089 0.859 18230 6271 1 14 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.081 0.044 18230 6272 1 14 . 1 1 3 3 GLU C C 3 179.443 179.443 178.681 0.762 18230 6273 1 14 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.240 1.060 18230 6274 1 14 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.132 0.440 18230 6275 1 14 . 1 1 3 3 GLU H H 3 9.442 9.442 8.666 0.776 18230 6276 1 14 . 1 1 4 4 LEU N N 4 120.236 120.236 120.373 -0.137 18230 6277 1 14 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.008 0.067 18230 6278 1 14 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.840 0.251 18230 6279 1 14 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.949 0.553 18230 6280 1 14 . 1 1 4 4 LEU H H 4 8.907 8.907 7.586 1.321 18230 6281 1 14 . 1 1 5 5 GLU N N 5 119.034 119.034 118.592 0.442 18230 6282 1 14 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.084 -0.116 18230 6283 1 14 . 1 1 5 5 GLU C C 5 179.234 179.234 179.141 0.093 18230 6284 1 14 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.209 0.931 18230 6285 1 14 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.049 0.367 18230 6286 1 14 . 1 1 5 5 GLU H H 5 8.296 8.296 8.358 -0.062 18230 6287 1 14 . 1 1 6 6 THR N N 6 116.586 116.586 117.282 -0.696 18230 6288 1 14 . 1 1 6 6 THR HA H 6 4.008 4.008 3.972 0.036 18230 6289 1 14 . 1 1 6 6 THR CA C 6 66.397 66.397 66.492 -0.095 18230 6290 1 14 . 1 1 6 6 THR CB C 6 68.595 68.595 68.604 -0.009 18230 6291 1 14 . 1 1 6 6 THR H H 6 8.282 8.282 8.597 -0.315 18230 6292 1 14 . 1 1 7 7 ALA N N 7 126.275 126.275 124.519 1.756 18230 6293 1 14 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.077 0.106 18230 6294 1 14 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.092 0.521 18230 6295 1 14 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.258 -0.318 18230 6296 1 14 . 1 1 7 7 ALA H H 7 8.141 8.141 8.111 0.030 18230 6297 1 14 . 1 1 8 8 MET N N 8 117.071 117.071 117.929 -0.858 18230 6298 1 14 . 1 1 8 8 MET HA H 8 3.834 3.834 4.032 -0.198 18230 6299 1 14 . 1 1 8 8 MET C C 8 177.846 177.846 178.844 -0.998 18230 6300 1 14 . 1 1 8 8 MET CA C 8 60.757 60.757 59.534 1.223 18230 6301 1 14 . 1 1 8 8 MET CB C 8 34.012 34.012 32.413 1.599 18230 6302 1 14 . 1 1 8 8 MET H H 8 8.269 8.269 8.225 0.044 18230 6303 1 14 . 1 1 9 9 GLU N N 9 117.667 117.667 118.423 -0.756 18230 6304 1 14 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.144 -0.216 18230 6305 1 14 . 1 1 9 9 GLU C C 9 178.933 178.933 179.245 -0.312 18230 6306 1 14 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.496 0.367 18230 6307 1 14 . 1 1 9 9 GLU CB C 9 29.261 29.261 28.895 0.366 18230 6308 1 14 . 1 1 9 9 GLU H H 9 8.105 8.105 8.671 -0.566 18230 6309 1 14 . 1 1 10 10 THR N N 10 118.326 118.326 118.192 0.134 18230 6310 1 14 . 1 1 10 10 THR HA H 10 4.075 4.075 4.081 -0.006 18230 6311 1 14 . 1 1 10 10 THR CA C 10 67.311 67.311 67.140 0.171 18230 6312 1 14 . 1 1 10 10 THR CB C 10 67.934 67.934 68.455 -0.521 18230 6313 1 14 . 1 1 10 10 THR H H 10 8.407 8.407 8.187 0.220 18230 6314 1 14 . 1 1 11 11 LEU N N 11 119.765 119.765 121.819 -2.054 18230 6315 1 14 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.062 -0.134 18230 6316 1 14 . 1 1 11 11 LEU C C 11 180.896 180.896 179.032 1.864 18230 6317 1 14 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.414 0.867 18230 6318 1 14 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.352 0.248 18230 6319 1 14 . 1 1 11 11 LEU H H 11 8.131 8.131 8.191 -0.060 18230 6320 1 14 . 1 1 12 12 ILE N N 12 119.540 119.540 120.308 -0.768 18230 6321 1 14 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.850 0.105 18230 6322 1 14 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.824 -0.092 18230 6323 1 14 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.657 1.729 18230 6324 1 14 . 1 1 12 12 ILE H H 12 7.715 7.715 8.474 -0.759 18230 6325 1 14 . 1 1 13 13 ASN N N 13 121.587 121.587 118.938 2.649 18230 6326 1 14 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.536 -0.005 18230 6327 1 14 . 1 1 13 13 ASN C C 13 178.867 178.867 178.200 0.667 18230 6328 1 14 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.215 0.214 18230 6329 1 14 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.214 -0.152 18230 6330 1 14 . 1 1 13 13 ASN H H 13 9.040 9.040 8.523 0.517 18230 6331 1 14 . 1 1 14 14 VAL N N 14 120.603 120.603 117.865 2.738 18230 6332 1 14 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.709 0.098 18230 6333 1 14 . 1 1 14 14 VAL C C 14 177.113 177.113 177.091 0.022 18230 6334 1 14 . 1 1 14 14 VAL CA C 14 66.508 66.508 65.956 0.552 18230 6335 1 14 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.180 0.416 18230 6336 1 14 . 1 1 14 14 VAL H H 14 8.954 8.954 8.204 0.750 18230 6337 1 14 . 1 1 15 15 PHE N N 15 117.585 117.585 121.808 -4.223 18230 6338 1 14 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.969 -0.510 18230 6339 1 14 . 1 1 15 15 PHE C C 15 177.257 177.257 177.192 0.065 18230 6340 1 14 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.064 1.512 18230 6341 1 14 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.735 0.317 18230 6342 1 14 . 1 1 15 15 PHE H H 15 6.956 6.956 8.270 -1.314 18230 6343 1 14 . 1 1 16 16 HIS N N 16 115.204 115.204 119.830 -4.626 18230 6344 1 14 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.944 0.895 18230 6345 1 14 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.586 -1.108 18230 6346 1 14 . 1 1 16 16 HIS CB C 16 28.920 28.920 30.126 -1.206 18230 6347 1 14 . 1 1 16 16 HIS H H 16 7.736 7.736 8.622 -0.886 18230 6348 1 14 . 1 1 17 17 ALA N N 17 123.201 123.201 121.754 1.447 18230 6349 1 14 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.898 0.138 18230 6350 1 14 . 1 1 17 17 ALA C C 17 178.867 178.867 179.399 -0.532 18230 6351 1 14 . 1 1 17 17 ALA CA C 17 54.145 54.145 55.058 -0.913 18230 6352 1 14 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.069 -0.408 18230 6353 1 14 . 1 1 17 17 ALA H H 17 8.066 8.066 8.035 0.031 18230 6354 1 14 . 1 1 18 18 HIS N N 18 113.974 113.974 115.448 -1.474 18230 6355 1 14 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.152 0.220 18230 6356 1 14 . 1 1 18 18 HIS C C 18 175.568 175.568 177.220 -1.652 18230 6357 1 14 . 1 1 18 18 HIS CA C 18 57.413 57.413 57.184 0.229 18230 6358 1 14 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.616 3.138 18230 6359 1 14 . 1 1 18 18 HIS H H 18 7.047 7.047 8.261 -1.214 18230 6360 1 14 . 1 1 19 19 SER N N 19 113.745 113.745 116.837 -3.092 18230 6361 1 14 . 1 1 19 19 SER HA H 19 3.658 3.658 3.991 -0.333 18230 6362 1 14 . 1 1 19 19 SER CA C 19 61.247 61.247 60.599 0.648 18230 6363 1 14 . 1 1 19 19 SER CB C 19 61.323 61.323 61.965 -0.642 18230 6364 1 14 . 1 1 19 19 SER H H 19 8.470 8.470 7.925 0.545 18230 6365 1 14 . 1 1 20 20 GLY N N 20 111.711 111.711 108.952 2.759 18230 6366 1 14 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.892 -0.511 18230 6367 1 14 . 1 1 20 20 GLY H H 20 7.739 7.739 7.498 0.241 18230 6368 1 14 . 1 1 21 21 LYS N N 21 122.328 122.328 120.810 1.518 18230 6369 1 14 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.945 -0.031 18230 6370 1 14 . 1 1 21 21 LYS C C 21 177.192 177.192 177.178 0.014 18230 6371 1 14 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.248 1.089 18230 6372 1 14 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.789 -0.101 18230 6373 1 14 . 1 1 21 21 LYS H H 21 7.200 7.200 7.553 -0.353 18230 6374 1 14 . 1 1 22 22 GLU N N 22 115.975 115.975 117.393 -1.418 18230 6375 1 14 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.393 0.264 18230 6376 1 14 . 1 1 22 22 GLU C C 22 175.882 175.882 175.684 0.198 18230 6377 1 14 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.033 -0.929 18230 6378 1 14 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.725 0.278 18230 6379 1 14 . 1 1 22 22 GLU H H 22 9.369 9.369 7.730 1.639 18230 6380 1 14 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.259 0.577 18230 6381 1 14 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.874 0.402 18230 6382 1 14 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.374 -0.394 18230 6383 1 14 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.464 -1.256 18230 6384 1 14 . 1 1 26 26 TYR N N 26 119.825 119.825 114.589 5.236 18230 6385 1 14 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.778 -0.073 18230 6386 1 14 . 1 1 26 26 TYR C C 26 173.696 173.696 174.639 -0.943 18230 6387 1 14 . 1 1 26 26 TYR CA C 26 56.180 56.180 57.228 -1.048 18230 6388 1 14 . 1 1 26 26 TYR CB C 26 38.049 38.049 38.394 -0.345 18230 6389 1 14 . 1 1 26 26 TYR H H 26 9.414 9.414 7.671 1.743 18230 6390 1 14 . 1 1 27 27 LYS N N 27 114.922 114.922 119.885 -4.963 18230 6391 1 14 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.854 0.266 18230 6392 1 14 . 1 1 27 27 LYS C C 27 174.678 174.678 174.262 0.416 18230 6393 1 14 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.915 0.075 18230 6394 1 14 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.714 2.127 18230 6395 1 14 . 1 1 27 27 LYS H H 27 7.107 7.107 7.865 -0.758 18230 6396 1 14 . 1 1 28 28 LEU N N 28 125.976 125.976 127.887 -1.911 18230 6397 1 14 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.877 0.307 18230 6398 1 14 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.519 0.256 18230 6399 1 14 . 1 1 28 28 LEU CB C 28 43.037 43.037 46.124 -3.087 18230 6400 1 14 . 1 1 28 28 LEU H H 28 9.757 9.757 9.145 0.612 18230 6401 1 14 . 1 1 29 29 SER N N 29 121.025 121.025 120.680 0.345 18230 6402 1 14 . 1 1 29 29 SER HA H 29 4.558 4.558 4.781 -0.223 18230 6403 1 14 . 1 1 29 29 SER C C 29 174.338 174.338 175.386 -1.048 18230 6404 1 14 . 1 1 29 29 SER CA C 29 56.208 56.208 56.366 -0.158 18230 6405 1 14 . 1 1 29 29 SER CB C 29 65.480 65.480 66.084 -0.604 18230 6406 1 14 . 1 1 29 29 SER H H 29 9.908 9.908 8.056 1.852 18230 6407 1 14 . 1 1 30 30 LYS N N 30 120.385 120.385 123.011 -2.626 18230 6408 1 14 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.856 -0.009 18230 6409 1 14 . 1 1 30 30 LYS C C 30 177.859 177.859 178.491 -0.632 18230 6410 1 14 . 1 1 30 30 LYS CA C 30 61.302 61.302 61.035 0.266 18230 6411 1 14 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.476 -0.465 18230 6412 1 14 . 1 1 30 30 LYS H H 30 8.845 8.845 9.126 -0.281 18230 6413 1 14 . 1 1 31 31 LYS N N 31 118.358 118.358 116.684 1.674 18230 6414 1 14 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.029 -0.128 18230 6415 1 14 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.130 0.483 18230 6416 1 14 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.807 1.192 18230 6417 1 14 . 1 1 31 31 LYS H H 31 7.924 7.924 8.337 -0.413 18230 6418 1 14 . 1 1 32 32 GLU N N 32 119.355 119.355 120.230 -0.875 18230 6419 1 14 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.026 -0.125 18230 6420 1 14 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.064 -0.226 18230 6421 1 14 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.577 1.086 18230 6422 1 14 . 1 1 32 32 GLU H H 32 7.502 7.502 7.486 0.016 18230 6423 1 14 . 1 1 33 33 LEU N N 33 119.533 119.533 117.723 1.810 18230 6424 1 14 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.365 -0.457 18230 6425 1 14 . 1 1 33 33 LEU C C 33 177.571 177.571 179.130 -1.559 18230 6426 1 14 . 1 1 33 33 LEU CA C 33 57.775 57.775 57.967 -0.192 18230 6427 1 14 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.248 0.241 18230 6428 1 14 . 1 1 33 33 LEU H H 33 9.076 9.076 8.399 0.677 18230 6429 1 14 . 1 1 34 34 LYS N N 34 119.251 119.251 119.325 -0.074 18230 6430 1 14 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.925 -0.279 18230 6431 1 14 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.460 1.123 18230 6432 1 14 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.970 0.095 18230 6433 1 14 . 1 1 34 34 LYS H H 34 8.262 8.262 8.367 -0.105 18230 6434 1 14 . 1 1 35 35 GLU N N 35 117.642 117.642 119.689 -2.047 18230 6435 1 14 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.086 -0.091 18230 6436 1 14 . 1 1 35 35 GLU C C 35 178.776 178.776 178.975 -0.199 18230 6437 1 14 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.160 0.426 18230 6438 1 14 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.733 -0.784 18230 6439 1 14 . 1 1 35 35 GLU H H 35 7.742 7.742 7.832 -0.090 18230 6440 1 14 . 1 1 36 36 LEU N N 36 124.753 124.753 122.687 2.066 18230 6441 1 14 . 1 1 36 36 LEU HA H 36 2.696 2.696 4.099 -1.403 18230 6442 1 14 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.788 1.909 18230 6443 1 14 . 1 1 36 36 LEU CB C 36 41.968 41.968 42.257 -0.289 18230 6444 1 14 . 1 1 36 36 LEU H H 36 8.304 8.304 8.365 -0.061 18230 6445 1 14 . 1 1 37 37 LEU N N 37 119.058 119.058 118.142 0.916 18230 6446 1 14 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.970 -0.243 18230 6447 1 14 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.236 0.076 18230 6448 1 14 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.690 1.110 18230 6449 1 14 . 1 1 37 37 LEU H H 37 8.684 8.684 8.672 0.012 18230 6450 1 14 . 1 1 38 38 GLN N N 38 114.728 114.728 116.599 -1.871 18230 6451 1 14 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.223 -0.282 18230 6452 1 14 . 1 1 38 38 GLN C C 38 177.584 177.584 178.148 -0.564 18230 6453 1 14 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.710 -0.232 18230 6454 1 14 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.828 0.199 18230 6455 1 14 . 1 1 38 38 GLN H H 38 8.510 8.510 7.684 0.826 18230 6456 1 14 . 1 1 39 39 THR N N 39 110.419 110.419 111.067 -0.648 18230 6457 1 14 . 1 1 39 39 THR HA H 39 4.238 4.238 4.175 0.063 18230 6458 1 14 . 1 1 39 39 THR C C 39 176.341 176.341 176.132 0.209 18230 6459 1 14 . 1 1 39 39 THR CA C 39 64.874 64.874 64.837 0.037 18230 6460 1 14 . 1 1 39 39 THR CB C 39 69.919 69.919 68.818 1.101 18230 6461 1 14 . 1 1 39 39 THR H H 39 7.863 7.863 7.944 -0.081 18230 6462 1 14 . 1 1 40 40 GLU N N 40 117.514 117.514 120.340 -2.826 18230 6463 1 14 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.425 0.328 18230 6464 1 14 . 1 1 40 40 GLU C C 40 177.807 177.807 176.971 0.836 18230 6465 1 14 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.498 -1.016 18230 6466 1 14 . 1 1 40 40 GLU CB C 40 31.789 31.789 30.853 0.936 18230 6467 1 14 . 1 1 40 40 GLU H H 40 8.468 8.468 8.426 0.042 18230 6468 1 14 . 1 1 41 41 LEU N N 41 121.141 121.141 121.160 -0.019 18230 6469 1 14 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.650 0.363 18230 6470 1 14 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.376 -1.546 18230 6471 1 14 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.230 0.393 18230 6472 1 14 . 1 1 41 41 LEU H H 41 7.682 7.682 8.213 -0.531 18230 6473 1 14 . 1 1 42 42 SER N N 42 116.557 116.557 117.855 -1.298 18230 6474 1 14 . 1 1 42 42 SER HA H 42 4.055 4.055 4.497 -0.442 18230 6475 1 14 . 1 1 42 42 SER C C 42 176.537 176.537 176.527 0.010 18230 6476 1 14 . 1 1 42 42 SER CA C 42 61.552 61.552 60.450 1.102 18230 6477 1 14 . 1 1 42 42 SER CB C 42 62.783 62.783 64.497 -1.714 18230 6478 1 14 . 1 1 42 42 SER H H 42 8.186 8.186 8.820 -0.634 18230 6479 1 14 . 1 1 43 43 GLY N N 43 111.517 111.517 111.132 0.385 18230 6480 1 14 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.830 -0.783 18230 6481 1 14 . 1 1 43 43 GLY H H 43 8.880 8.880 8.837 0.043 18230 6482 1 14 . 1 1 44 44 PHE N N 44 122.405 122.405 119.291 3.114 18230 6483 1 14 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.192 0.165 18230 6484 1 14 . 1 1 44 44 PHE C C 44 176.851 176.851 177.302 -0.451 18230 6485 1 14 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.095 -1.260 18230 6486 1 14 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.597 1.022 18230 6487 1 14 . 1 1 44 44 PHE H H 44 7.972 7.972 8.092 -0.120 18230 6488 1 14 . 1 1 45 45 LEU N N 45 119.444 119.444 118.100 1.344 18230 6489 1 14 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.194 -0.265 18230 6490 1 14 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.689 -0.426 18230 6491 1 14 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.409 0.548 18230 6492 1 14 . 1 1 45 45 LEU H H 45 8.148 8.148 7.765 0.383 18230 6493 1 14 . 1 1 46 46 ASP N N 46 120.023 120.023 120.422 -0.399 18230 6494 1 14 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.337 0.039 18230 6495 1 14 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.550 -0.868 18230 6496 1 14 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.849 -0.061 18230 6497 1 14 . 1 1 46 46 ASP H H 46 8.307 8.307 8.366 -0.059 18230 6498 1 14 . 1 1 47 47 ALA N N 47 121.156 121.156 120.235 0.921 18230 6499 1 14 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.090 0.066 18230 6500 1 14 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.837 -0.924 18230 6501 1 14 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.876 -0.222 18230 6502 1 14 . 1 1 47 47 ALA H H 47 7.606 7.606 7.540 0.066 18230 6503 1 14 . 1 1 48 48 GLN N N 48 116.408 116.408 117.838 -1.430 18230 6504 1 14 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.408 -0.272 18230 6505 1 14 . 1 1 48 48 GLN C C 48 175.882 175.882 176.205 -0.323 18230 6506 1 14 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.714 0.648 18230 6507 1 14 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.526 -0.044 18230 6508 1 14 . 1 1 48 48 GLN H H 48 7.665 7.665 7.585 0.080 18230 6509 1 14 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.087 0.042 18230 6510 1 14 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.775 -1.069 18230 6511 1 14 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.678 -0.380 18230 6512 1 14 . 1 1 50 50 ASP N N 50 118.824 118.824 119.179 -0.355 18230 6513 1 14 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.656 -0.108 18230 6514 1 14 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.253 -0.288 18230 6515 1 14 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.541 0.494 18230 6516 1 14 . 1 1 50 50 ASP H H 50 7.982 7.982 7.971 0.011 18230 6517 1 14 . 1 1 51 51 VAL N N 51 121.055 121.055 120.512 0.543 18230 6518 1 14 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.909 0.042 18230 6519 1 14 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.687 -1.031 18230 6520 1 14 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.861 0.139 18230 6521 1 14 . 1 1 51 51 VAL H H 51 8.231 8.231 8.437 -0.206 18230 6522 1 14 . 1 1 52 52 ASP N N 52 121.189 121.189 120.782 0.407 18230 6523 1 14 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.616 0.143 18230 6524 1 14 . 1 1 52 52 ASP C C 52 176.367 176.367 177.358 -0.991 18230 6525 1 14 . 1 1 52 52 ASP CA C 52 53.716 53.716 55.507 -1.791 18230 6526 1 14 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.303 1.096 18230 6527 1 14 . 1 1 52 52 ASP H H 52 8.410 8.410 8.714 -0.304 18230 6528 1 14 . 1 1 53 53 ALA N N 53 123.582 123.582 123.758 -0.176 18230 6529 1 14 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.046 -0.114 18230 6530 1 14 . 1 1 53 53 ALA C C 53 179.208 179.208 178.800 0.408 18230 6531 1 14 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.178 0.088 18230 6532 1 14 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.499 0.658 18230 6533 1 14 . 1 1 53 53 ALA H H 53 7.755 7.755 7.470 0.285 18230 6534 1 14 . 1 1 54 54 VAL N N 54 116.235 116.235 118.484 -2.249 18230 6535 1 14 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.728 -0.273 18230 6536 1 14 . 1 1 54 54 VAL C C 54 176.432 176.432 176.816 -0.384 18230 6537 1 14 . 1 1 54 54 VAL CA C 54 66.244 66.244 65.804 0.440 18230 6538 1 14 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.137 -0.373 18230 6539 1 14 . 1 1 54 54 VAL H H 54 8.300 8.300 7.628 0.672 18230 6540 1 14 . 1 1 55 55 ASP N N 55 120.594 120.594 118.807 1.787 18230 6541 1 14 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.336 -0.181 18230 6542 1 14 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.975 -0.391 18230 6543 1 14 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.805 0.025 18230 6544 1 14 . 1 1 55 55 ASP H H 55 7.684 7.684 7.671 0.013 18230 6545 1 14 . 1 1 56 56 LYS N N 56 119.178 119.178 119.386 -0.208 18230 6546 1 14 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.035 -0.107 18230 6547 1 14 . 1 1 56 56 LYS C C 56 178.697 178.697 179.337 -0.640 18230 6548 1 14 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.406 0.097 18230 6549 1 14 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.554 -0.264 18230 6550 1 14 . 1 1 56 56 LYS H H 56 7.638 7.638 7.977 -0.339 18230 6551 1 14 . 1 1 57 57 VAL N N 57 119.870 119.870 119.265 0.605 18230 6552 1 14 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.771 -0.047 18230 6553 1 14 . 1 1 57 57 VAL C C 57 177.558 177.558 178.373 -0.815 18230 6554 1 14 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.436 -0.510 18230 6555 1 14 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.726 -0.579 18230 6556 1 14 . 1 1 57 57 VAL H H 57 7.928 7.928 8.210 -0.282 18230 6557 1 14 . 1 1 58 58 MET N N 58 118.736 118.736 118.033 0.703 18230 6558 1 14 . 1 1 58 58 MET HA H 58 3.928 3.928 4.183 -0.255 18230 6559 1 14 . 1 1 58 58 MET C C 58 177.021 177.021 177.892 -0.871 18230 6560 1 14 . 1 1 58 58 MET CA C 58 58.534 58.534 58.791 -0.257 18230 6561 1 14 . 1 1 58 58 MET CB C 58 32.065 32.065 31.935 0.130 18230 6562 1 14 . 1 1 58 58 MET H H 58 8.443 8.443 8.504 -0.061 18230 6563 1 14 . 1 1 59 59 LYS N N 59 116.214 116.214 118.966 -2.752 18230 6564 1 14 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.975 -0.007 18230 6565 1 14 . 1 1 59 59 LYS C C 59 178.893 178.893 178.355 0.538 18230 6566 1 14 . 1 1 59 59 LYS CA C 59 58.866 58.866 58.730 0.136 18230 6567 1 14 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.486 0.579 18230 6568 1 14 . 1 1 59 59 LYS H H 59 7.629 7.629 7.895 -0.266 18230 6569 1 14 . 1 1 60 60 GLU N N 60 117.288 117.288 118.101 -0.813 18230 6570 1 14 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.167 -0.132 18230 6571 1 14 . 1 1 60 60 GLU C C 60 178.173 178.173 178.079 0.094 18230 6572 1 14 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.392 -0.163 18230 6573 1 14 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.474 0.332 18230 6574 1 14 . 1 1 60 60 GLU H H 60 7.599 7.599 7.864 -0.265 18230 6575 1 14 . 1 1 61 61 LEU N N 61 116.163 116.163 116.715 -0.552 18230 6576 1 14 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.156 0.214 18230 6577 1 14 . 1 1 61 61 LEU C C 61 178.893 178.893 178.103 0.790 18230 6578 1 14 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.561 -1.322 18230 6579 1 14 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.312 1.629 18230 6580 1 14 . 1 1 61 61 LEU H H 61 8.060 8.060 7.259 0.801 18230 6581 1 14 . 1 1 62 62 ASP N N 62 116.934 116.934 118.690 -1.756 18230 6582 1 14 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.930 -0.264 18230 6583 1 14 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.690 -0.445 18230 6584 1 14 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.476 -0.467 18230 6585 1 14 . 1 1 62 62 ASP H H 62 8.012 8.012 8.055 -0.043 18230 6586 1 14 . 1 1 63 63 GLU N N 63 129.388 129.388 124.521 4.867 18230 6587 1 14 . 1 1 63 63 GLU HA H 63 4.022 4.022 3.994 0.028 18230 6588 1 14 . 1 1 63 63 GLU C C 63 177.519 177.519 177.850 -0.331 18230 6589 1 14 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.753 -0.081 18230 6590 1 14 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.904 0.603 18230 6591 1 14 . 1 1 63 63 GLU H H 63 8.356 8.356 8.597 -0.241 18230 6592 1 14 . 1 1 64 64 ASN N N 64 112.751 112.751 116.592 -3.841 18230 6593 1 14 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.511 0.222 18230 6594 1 14 . 1 1 64 64 ASN C C 64 176.498 176.498 176.289 0.209 18230 6595 1 14 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.274 -2.385 18230 6596 1 14 . 1 1 64 64 ASN CB C 64 37.172 37.172 39.179 -2.007 18230 6597 1 14 . 1 1 64 64 ASN H H 64 7.997 7.997 7.825 0.172 18230 6598 1 14 . 1 1 65 65 GLY N N 65 109.265 109.265 107.890 1.375 18230 6599 1 14 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.416 1.987 18230 6600 1 14 . 1 1 65 65 GLY H H 65 7.552 7.552 8.446 -0.894 18230 6601 1 14 . 1 1 66 66 ASP N N 66 119.331 119.331 120.986 -1.655 18230 6602 1 14 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.595 -0.063 18230 6603 1 14 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.921 0.269 18230 6604 1 14 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.794 -0.551 18230 6605 1 14 . 1 1 66 66 ASP H H 66 8.124 8.124 8.174 -0.050 18230 6606 1 14 . 1 1 67 67 GLY N N 67 113.348 113.348 108.737 4.611 18230 6607 1 14 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.613 -0.009 18230 6608 1 14 . 1 1 67 67 GLY H H 67 10.285 10.285 9.194 1.091 18230 6609 1 14 . 1 1 68 68 GLU N N 68 117.060 117.060 118.665 -1.605 18230 6610 1 14 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.826 -0.025 18230 6611 1 14 . 1 1 68 68 GLU C C 68 175.176 175.176 174.953 0.223 18230 6612 1 14 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.709 -0.199 18230 6613 1 14 . 1 1 68 68 GLU CB C 68 36.223 36.223 33.288 2.935 18230 6614 1 14 . 1 1 68 68 GLU H H 68 7.732 7.732 8.766 -1.034 18230 6615 1 14 . 1 1 69 69 VAL N N 69 125.264 125.264 120.922 4.342 18230 6616 1 14 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.684 0.556 18230 6617 1 14 . 1 1 69 69 VAL C C 69 175.961 175.961 175.029 0.932 18230 6618 1 14 . 1 1 69 69 VAL CA C 69 61.144 61.144 61.129 0.015 18230 6619 1 14 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.834 -0.149 18230 6620 1 14 . 1 1 69 69 VAL H H 69 9.392 9.392 8.832 0.560 18230 6621 1 14 . 1 1 70 70 ASP N N 70 129.378 129.378 125.132 4.246 18230 6622 1 14 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.973 0.188 18230 6623 1 14 . 1 1 70 70 ASP C C 70 175.032 175.032 176.739 -1.707 18230 6624 1 14 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.338 0.077 18230 6625 1 14 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.615 -1.776 18230 6626 1 14 . 1 1 70 70 ASP H H 70 9.112 9.112 8.987 0.125 18230 6627 1 14 . 1 1 71 71 PHE N N 71 118.452 118.452 122.473 -4.021 18230 6628 1 14 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.218 -0.305 18230 6629 1 14 . 1 1 71 71 PHE C C 71 176.576 176.576 177.012 -0.436 18230 6630 1 14 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.326 3.108 18230 6631 1 14 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.708 0.523 18230 6632 1 14 . 1 1 71 71 PHE H H 71 8.948 8.948 9.160 -0.212 18230 6633 1 14 . 1 1 72 72 GLN N N 72 116.934 116.934 117.057 -0.123 18230 6634 1 14 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.839 -0.151 18230 6635 1 14 . 1 1 72 72 GLN C C 72 178.056 178.056 178.249 -0.193 18230 6636 1 14 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.612 -0.019 18230 6637 1 14 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.309 -0.145 18230 6638 1 14 . 1 1 72 72 GLN H H 72 8.012 8.012 8.398 -0.386 18230 6639 1 14 . 1 1 73 73 GLU N N 73 120.208 120.208 120.478 -0.270 18230 6640 1 14 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.068 -0.002 18230 6641 1 14 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.594 -1.088 18230 6642 1 14 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.455 0.662 18230 6643 1 14 . 1 1 73 73 GLU H H 73 8.308 8.308 7.627 0.681 18230 6644 1 14 . 1 1 74 74 TYR N N 74 121.623 121.623 121.658 -0.035 18230 6645 1 14 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.243 -0.154 18230 6646 1 14 . 1 1 74 74 TYR C C 74 176.485 176.485 177.658 -1.173 18230 6647 1 14 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.826 -2.351 18230 6648 1 14 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.832 -0.826 18230 6649 1 14 . 1 1 74 74 TYR H H 74 8.339 8.339 8.670 -0.331 18230 6650 1 14 . 1 1 75 75 VAL N N 75 120.827 120.827 120.204 0.623 18230 6651 1 14 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.685 -0.811 18230 6652 1 14 . 1 1 75 75 VAL C C 75 176.563 176.563 177.656 -1.093 18230 6653 1 14 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.921 -0.567 18230 6654 1 14 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.800 -1.149 18230 6655 1 14 . 1 1 75 75 VAL H H 75 8.088 8.088 8.437 -0.349 18230 6656 1 14 . 1 1 76 76 VAL N N 76 120.216 120.216 117.545 2.671 18230 6657 1 14 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.623 -0.208 18230 6658 1 14 . 1 1 76 76 VAL C C 76 178.645 178.645 177.455 1.190 18230 6659 1 14 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.179 0.679 18230 6660 1 14 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.413 -0.113 18230 6661 1 14 . 1 1 76 76 VAL H H 76 7.132 7.132 8.000 -0.868 18230 6662 1 14 . 1 1 77 77 LEU N N 77 120.900 120.900 122.360 -1.460 18230 6663 1 14 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.918 0.110 18230 6664 1 14 . 1 1 77 77 LEU C C 77 177.362 177.362 178.445 -1.083 18230 6665 1 14 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.230 -0.555 18230 6666 1 14 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.662 -1.107 18230 6667 1 14 . 1 1 77 77 LEU H H 77 6.860 6.860 7.966 -1.106 18230 6668 1 14 . 1 1 78 78 VAL N N 78 116.991 116.991 115.431 1.560 18230 6669 1 14 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.458 -0.335 18230 6670 1 14 . 1 1 78 78 VAL C C 78 179.142 179.142 177.679 1.463 18230 6671 1 14 . 1 1 78 78 VAL CA C 78 66.828 66.828 66.027 0.801 18230 6672 1 14 . 1 1 78 78 VAL CB C 78 31.301 31.301 31.100 0.201 18230 6673 1 14 . 1 1 78 78 VAL H H 78 7.519 7.519 7.936 -0.417 18230 6674 1 14 . 1 1 79 79 ALA N N 79 124.679 124.679 122.922 1.757 18230 6675 1 14 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.024 -0.337 18230 6676 1 14 . 1 1 79 79 ALA C C 79 178.213 178.213 179.045 -0.832 18230 6677 1 14 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.850 1.158 18230 6678 1 14 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.361 -0.544 18230 6679 1 14 . 1 1 79 79 ALA H H 79 8.964 8.964 8.195 0.769 18230 6680 1 14 . 1 1 80 80 ALA N N 80 120.376 120.376 121.498 -1.122 18230 6681 1 14 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.076 -0.042 18230 6682 1 14 . 1 1 80 80 ALA C C 80 181.852 181.852 179.643 2.209 18230 6683 1 14 . 1 1 80 80 ALA CA C 80 55.283 55.283 55.000 0.283 18230 6684 1 14 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.338 -0.538 18230 6685 1 14 . 1 1 80 80 ALA H H 80 7.794 7.794 8.403 -0.609 18230 6686 1 14 . 1 1 81 81 LEU N N 81 119.275 119.275 118.610 0.665 18230 6687 1 14 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.034 0.006 18230 6688 1 14 . 1 1 81 81 LEU C C 81 179.168 179.168 179.348 -0.180 18230 6689 1 14 . 1 1 81 81 LEU CA C 81 57.345 57.345 58.056 -0.711 18230 6690 1 14 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.057 0.588 18230 6691 1 14 . 1 1 81 81 LEU H H 81 8.494 8.494 8.330 0.164 18230 6692 1 14 . 1 1 82 82 THR N N 82 119.781 119.781 116.435 3.346 18230 6693 1 14 . 1 1 82 82 THR HA H 82 3.800 3.800 3.939 -0.139 18230 6694 1 14 . 1 1 82 82 THR CA C 82 68.473 68.473 66.531 1.942 18230 6695 1 14 . 1 1 82 82 THR CB C 82 67.796 67.796 68.169 -0.373 18230 6696 1 14 . 1 1 82 82 THR H H 82 8.418 8.418 7.903 0.515 18230 6697 1 14 . 1 1 83 83 VAL N N 83 122.419 122.419 121.476 0.943 18230 6698 1 14 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.735 -0.033 18230 6699 1 14 . 1 1 83 83 VAL C C 83 177.781 177.781 176.914 0.867 18230 6700 1 14 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.955 1.356 18230 6701 1 14 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.503 0.171 18230 6702 1 14 . 1 1 83 83 VAL H H 83 8.164 8.164 8.084 0.080 18230 6703 1 14 . 1 1 84 84 ALA N N 84 121.470 121.470 121.885 -0.415 18230 6704 1 14 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.322 -0.174 18230 6705 1 14 . 1 1 84 84 ALA C C 84 180.032 180.032 179.656 0.376 18230 6706 1 14 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.020 0.085 18230 6707 1 14 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.631 0.167 18230 6708 1 14 . 1 1 84 84 ALA H H 84 7.877 7.877 8.298 -0.421 18230 6709 1 14 . 1 1 85 85 CYS N N 85 117.473 117.473 118.839 -1.366 18230 6710 1 14 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.338 0.086 18230 6711 1 14 . 1 1 85 85 CYS C C 85 176.092 176.092 176.875 -0.783 18230 6712 1 14 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.367 -5.387 18230 6713 1 14 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.012 14.543 18230 6714 1 14 . 1 1 85 85 CYS H H 85 8.370 8.370 8.341 0.029 18230 6715 1 14 . 1 1 86 86 ASN N N 86 119.886 119.886 118.493 1.393 18230 6716 1 14 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.491 -0.255 18230 6717 1 14 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.931 0.329 18230 6718 1 14 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.593 1.085 18230 6719 1 14 . 1 1 87 87 ASN N N 87 117.136 117.136 119.036 -1.900 18230 6720 1 14 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.504 -0.104 18230 6721 1 14 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.523 -1.490 18230 6722 1 14 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.592 -0.763 18230 6723 1 14 . 1 1 87 87 ASN H H 87 8.136 8.136 8.336 -0.200 18230 6724 1 14 . 1 1 88 88 PHE N N 88 119.001 119.001 121.683 -2.682 18230 6725 1 14 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.329 -0.039 18230 6726 1 14 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.235 -1.538 18230 6727 1 14 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.336 -0.129 18230 6728 1 14 . 1 1 88 88 PHE H H 88 7.865 7.865 8.269 -0.404 18230 6729 1 14 . 1 1 89 89 PHE N N 89 118.050 118.050 119.581 -1.531 18230 6730 1 14 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.143 0.067 18230 6731 1 14 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.111 -1.611 18230 6732 1 14 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.776 -0.289 18230 6733 1 14 . 1 1 89 89 PHE H H 89 7.924 7.924 8.267 -0.343 18230 6734 1 14 . 1 1 90 90 TRP N N 90 119.104 119.104 119.761 -0.657 18230 6735 1 14 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.447 0.029 18230 6736 1 14 . 1 1 90 90 TRP CA C 90 57.688 57.688 59.588 -1.900 18230 6737 1 14 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.461 -0.967 18230 6738 1 14 . 1 1 90 90 TRP H H 90 7.848 7.848 8.343 -0.495 18230 6739 1 14 . 1 1 91 91 GLU N N 91 120.457 120.457 117.744 2.713 18230 6740 1 14 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.572 -0.443 18230 6741 1 14 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.528 1.511 18230 6742 1 14 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.379 -1.346 18230 6743 1 14 . 1 1 91 91 GLU H H 91 7.816 7.816 8.190 -0.374 18230 6744 1 14 . 1 1 92 92 ASN N N 92 125.418 125.418 118.870 6.548 18230 6745 1 14 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.478 -0.068 18230 6746 1 14 . 1 1 92 92 ASN CA C 92 54.731 54.731 51.478 3.253 18230 6747 1 14 . 1 1 92 92 ASN CB C 92 41.074 41.074 39.495 1.579 18230 6748 1 14 . 1 1 92 92 ASN H H 92 7.846 7.846 8.220 -0.374 18230 6749 1 15 . 1 1 2 2 SER HA H 2 4.757 4.757 4.346 0.411 18230 6750 1 15 . 1 1 2 2 SER CA C 2 57.482 57.482 59.431 -1.949 18230 6751 1 15 . 1 1 2 2 SER CB C 2 64.893 64.893 63.447 1.446 18230 6752 1 15 . 1 1 3 3 GLU N N 3 123.948 123.948 122.898 1.050 18230 6753 1 15 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.069 0.056 18230 6754 1 15 . 1 1 3 3 GLU C C 3 179.443 179.443 178.605 0.838 18230 6755 1 15 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.235 1.065 18230 6756 1 15 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.147 0.425 18230 6757 1 15 . 1 1 3 3 GLU H H 3 9.442 9.442 8.599 0.843 18230 6758 1 15 . 1 1 4 4 LEU N N 4 120.236 120.236 120.526 -0.290 18230 6759 1 15 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.008 0.067 18230 6760 1 15 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.936 0.155 18230 6761 1 15 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.959 0.543 18230 6762 1 15 . 1 1 4 4 LEU H H 4 8.907 8.907 7.510 1.397 18230 6763 1 15 . 1 1 5 5 GLU N N 5 119.034 119.034 118.954 0.080 18230 6764 1 15 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.055 -0.087 18230 6765 1 15 . 1 1 5 5 GLU C C 5 179.234 179.234 178.705 0.529 18230 6766 1 15 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.411 0.729 18230 6767 1 15 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.151 0.265 18230 6768 1 15 . 1 1 5 5 GLU H H 5 8.296 8.296 8.495 -0.199 18230 6769 1 15 . 1 1 6 6 THR N N 6 116.586 116.586 116.778 -0.192 18230 6770 1 15 . 1 1 6 6 THR HA H 6 4.008 4.008 4.077 -0.069 18230 6771 1 15 . 1 1 6 6 THR CA C 6 66.397 66.397 66.619 -0.222 18230 6772 1 15 . 1 1 6 6 THR CB C 6 68.595 68.595 68.392 0.203 18230 6773 1 15 . 1 1 6 6 THR H H 6 8.282 8.282 8.310 -0.028 18230 6774 1 15 . 1 1 7 7 ALA N N 7 126.275 126.275 124.757 1.518 18230 6775 1 15 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.146 0.037 18230 6776 1 15 . 1 1 7 7 ALA CA C 7 55.613 55.613 54.928 0.685 18230 6777 1 15 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.202 -0.262 18230 6778 1 15 . 1 1 7 7 ALA H H 7 8.141 8.141 8.133 0.008 18230 6779 1 15 . 1 1 8 8 MET N N 8 117.071 117.071 118.048 -0.977 18230 6780 1 15 . 1 1 8 8 MET HA H 8 3.834 3.834 3.996 -0.162 18230 6781 1 15 . 1 1 8 8 MET C C 8 177.846 177.846 178.828 -0.982 18230 6782 1 15 . 1 1 8 8 MET CA C 8 60.757 60.757 59.701 1.056 18230 6783 1 15 . 1 1 8 8 MET CB C 8 34.012 34.012 32.487 1.524 18230 6784 1 15 . 1 1 8 8 MET H H 8 8.269 8.269 8.222 0.047 18230 6785 1 15 . 1 1 9 9 GLU N N 9 117.667 117.667 118.946 -1.279 18230 6786 1 15 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.074 -0.146 18230 6787 1 15 . 1 1 9 9 GLU C C 9 178.933 178.933 179.179 -0.246 18230 6788 1 15 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.735 0.128 18230 6789 1 15 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.469 -0.208 18230 6790 1 15 . 1 1 9 9 GLU H H 9 8.105 8.105 8.456 -0.351 18230 6791 1 15 . 1 1 10 10 THR N N 10 118.326 118.326 118.180 0.146 18230 6792 1 15 . 1 1 10 10 THR HA H 10 4.075 4.075 4.048 0.027 18230 6793 1 15 . 1 1 10 10 THR CA C 10 67.311 67.311 67.001 0.310 18230 6794 1 15 . 1 1 10 10 THR CB C 10 67.934 67.934 68.676 -0.742 18230 6795 1 15 . 1 1 10 10 THR H H 10 8.407 8.407 8.100 0.307 18230 6796 1 15 . 1 1 11 11 LEU N N 11 119.765 119.765 121.964 -2.199 18230 6797 1 15 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.091 -0.163 18230 6798 1 15 . 1 1 11 11 LEU C C 11 180.896 180.896 179.085 1.811 18230 6799 1 15 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.371 0.910 18230 6800 1 15 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.418 0.182 18230 6801 1 15 . 1 1 11 11 LEU H H 11 8.131 8.131 8.298 -0.167 18230 6802 1 15 . 1 1 12 12 ILE N N 12 119.540 119.540 120.410 -0.870 18230 6803 1 15 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.843 0.112 18230 6804 1 15 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.857 -0.125 18230 6805 1 15 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.691 1.695 18230 6806 1 15 . 1 1 12 12 ILE H H 12 7.715 7.715 8.473 -0.757 18230 6807 1 15 . 1 1 13 13 ASN N N 13 121.587 121.587 118.746 2.841 18230 6808 1 15 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.544 -0.013 18230 6809 1 15 . 1 1 13 13 ASN C C 13 178.867 178.867 178.312 0.555 18230 6810 1 15 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.235 0.194 18230 6811 1 15 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.322 -0.260 18230 6812 1 15 . 1 1 13 13 ASN H H 13 9.040 9.040 8.552 0.488 18230 6813 1 15 . 1 1 14 14 VAL N N 14 120.603 120.603 117.357 3.246 18230 6814 1 15 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.807 -0.000 18230 6815 1 15 . 1 1 14 14 VAL C C 14 177.113 177.113 177.315 -0.202 18230 6816 1 15 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.392 0.116 18230 6817 1 15 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.643 -0.046 18230 6818 1 15 . 1 1 14 14 VAL H H 14 8.954 8.954 8.172 0.782 18230 6819 1 15 . 1 1 15 15 PHE N N 15 117.585 117.585 121.470 -3.885 18230 6820 1 15 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.586 -0.127 18230 6821 1 15 . 1 1 15 15 PHE C C 15 177.257 177.257 176.612 0.645 18230 6822 1 15 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.707 0.869 18230 6823 1 15 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.631 0.421 18230 6824 1 15 . 1 1 15 15 PHE H H 15 6.956 6.956 8.376 -1.420 18230 6825 1 15 . 1 1 16 16 HIS N N 16 115.204 115.204 118.703 -3.499 18230 6826 1 15 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.754 1.085 18230 6827 1 15 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.859 -1.381 18230 6828 1 15 . 1 1 16 16 HIS CB C 16 28.920 28.920 30.067 -1.147 18230 6829 1 15 . 1 1 16 16 HIS H H 16 7.736 7.736 8.541 -0.805 18230 6830 1 15 . 1 1 17 17 ALA N N 17 123.201 123.201 122.065 1.136 18230 6831 1 15 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.902 0.134 18230 6832 1 15 . 1 1 17 17 ALA C C 17 178.867 178.867 180.092 -1.225 18230 6833 1 15 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.894 -0.749 18230 6834 1 15 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.008 -0.347 18230 6835 1 15 . 1 1 17 17 ALA H H 17 8.066 8.066 8.001 0.065 18230 6836 1 15 . 1 1 18 18 HIS N N 18 113.974 113.974 117.290 -3.316 18230 6837 1 15 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.200 0.172 18230 6838 1 15 . 1 1 18 18 HIS C C 18 175.568 175.568 177.361 -1.793 18230 6839 1 15 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.536 -2.123 18230 6840 1 15 . 1 1 18 18 HIS CB C 18 32.753 32.753 30.143 2.610 18230 6841 1 15 . 1 1 18 18 HIS H H 18 7.047 7.047 8.218 -1.171 18230 6842 1 15 . 1 1 19 19 SER N N 19 113.745 113.745 115.288 -1.543 18230 6843 1 15 . 1 1 19 19 SER HA H 19 3.658 3.658 3.832 -0.174 18230 6844 1 15 . 1 1 19 19 SER CA C 19 61.247 61.247 60.754 0.493 18230 6845 1 15 . 1 1 19 19 SER CB C 19 61.323 61.323 62.162 -0.839 18230 6846 1 15 . 1 1 19 19 SER H H 19 8.470 8.470 8.137 0.333 18230 6847 1 15 . 1 1 20 20 GLY N N 20 111.711 111.711 108.172 3.539 18230 6848 1 15 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.506 -0.124 18230 6849 1 15 . 1 1 20 20 GLY H H 20 7.739 7.739 7.463 0.276 18230 6850 1 15 . 1 1 21 21 LYS N N 21 122.328 122.328 120.836 1.492 18230 6851 1 15 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.877 0.037 18230 6852 1 15 . 1 1 21 21 LYS C C 21 177.192 177.192 176.833 0.359 18230 6853 1 15 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.080 1.257 18230 6854 1 15 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.617 0.071 18230 6855 1 15 . 1 1 21 21 LYS H H 21 7.200 7.200 7.444 -0.244 18230 6856 1 15 . 1 1 22 22 GLU N N 22 115.975 115.975 117.943 -1.968 18230 6857 1 15 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.300 0.357 18230 6858 1 15 . 1 1 22 22 GLU C C 22 175.882 175.882 175.797 0.085 18230 6859 1 15 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.105 -1.001 18230 6860 1 15 . 1 1 22 22 GLU CB C 22 33.003 33.003 31.934 1.069 18230 6861 1 15 . 1 1 22 22 GLU H H 22 9.369 9.369 7.640 1.729 18230 6862 1 15 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.053 0.783 18230 6863 1 15 . 1 1 25 25 LYS HA H 25 4.276 4.276 4.230 0.046 18230 6864 1 15 . 1 1 25 25 LYS CA C 25 57.980 57.980 56.171 1.809 18230 6865 1 15 . 1 1 25 25 LYS CB C 25 31.208 31.208 33.125 -1.917 18230 6866 1 15 . 1 1 26 26 TYR N N 26 119.825 119.825 113.728 6.097 18230 6867 1 15 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.237 0.468 18230 6868 1 15 . 1 1 26 26 TYR C C 26 173.696 173.696 174.740 -1.044 18230 6869 1 15 . 1 1 26 26 TYR CA C 26 56.180 56.180 59.303 -3.123 18230 6870 1 15 . 1 1 26 26 TYR CB C 26 38.049 38.049 36.960 1.089 18230 6871 1 15 . 1 1 26 26 TYR H H 26 9.414 9.414 8.294 1.120 18230 6872 1 15 . 1 1 27 27 LYS N N 27 114.922 114.922 118.502 -3.580 18230 6873 1 15 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.888 0.232 18230 6874 1 15 . 1 1 27 27 LYS C C 27 174.678 174.678 174.287 0.391 18230 6875 1 15 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.886 0.104 18230 6876 1 15 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.293 2.548 18230 6877 1 15 . 1 1 27 27 LYS H H 27 7.107 7.107 7.700 -0.593 18230 6878 1 15 . 1 1 28 28 LEU N N 28 125.976 125.976 128.194 -2.218 18230 6879 1 15 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.987 0.197 18230 6880 1 15 . 1 1 28 28 LEU CA C 28 52.775 52.775 53.105 -0.330 18230 6881 1 15 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.618 -2.581 18230 6882 1 15 . 1 1 28 28 LEU H H 28 9.757 9.757 9.253 0.504 18230 6883 1 15 . 1 1 29 29 SER N N 29 121.025 121.025 120.358 0.667 18230 6884 1 15 . 1 1 29 29 SER HA H 29 4.558 4.558 4.800 -0.242 18230 6885 1 15 . 1 1 29 29 SER C C 29 174.338 174.338 174.545 -0.207 18230 6886 1 15 . 1 1 29 29 SER CA C 29 56.208 56.208 57.603 -1.395 18230 6887 1 15 . 1 1 29 29 SER CB C 29 65.480 65.480 65.295 0.185 18230 6888 1 15 . 1 1 29 29 SER H H 29 9.908 9.908 8.299 1.609 18230 6889 1 15 . 1 1 30 30 LYS N N 30 120.385 120.385 125.596 -5.211 18230 6890 1 15 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.838 0.009 18230 6891 1 15 . 1 1 30 30 LYS C C 30 177.859 177.859 178.270 -0.411 18230 6892 1 15 . 1 1 30 30 LYS CA C 30 61.302 61.302 61.085 0.217 18230 6893 1 15 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.392 -0.381 18230 6894 1 15 . 1 1 30 30 LYS H H 30 8.845 8.845 9.010 -0.165 18230 6895 1 15 . 1 1 31 31 LYS N N 31 118.358 118.358 117.546 0.812 18230 6896 1 15 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.076 -0.175 18230 6897 1 15 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.688 -0.075 18230 6898 1 15 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.251 1.748 18230 6899 1 15 . 1 1 31 31 LYS H H 31 7.924 7.924 8.435 -0.511 18230 6900 1 15 . 1 1 32 32 GLU N N 32 119.355 119.355 119.651 -0.296 18230 6901 1 15 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.271 -0.370 18230 6902 1 15 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.209 -0.371 18230 6903 1 15 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.503 1.160 18230 6904 1 15 . 1 1 32 32 GLU H H 32 7.502 7.502 8.183 -0.681 18230 6905 1 15 . 1 1 33 33 LEU N N 33 119.533 119.533 117.570 1.963 18230 6906 1 15 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.091 -0.183 18230 6907 1 15 . 1 1 33 33 LEU C C 33 177.571 177.571 178.673 -1.102 18230 6908 1 15 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.331 -0.556 18230 6909 1 15 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.062 0.427 18230 6910 1 15 . 1 1 33 33 LEU H H 33 9.076 9.076 8.709 0.367 18230 6911 1 15 . 1 1 34 34 LYS N N 34 119.251 119.251 119.524 -0.273 18230 6912 1 15 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.897 -0.251 18230 6913 1 15 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.401 1.182 18230 6914 1 15 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.958 0.107 18230 6915 1 15 . 1 1 34 34 LYS H H 34 8.262 8.262 8.342 -0.080 18230 6916 1 15 . 1 1 35 35 GLU N N 35 117.642 117.642 119.588 -1.946 18230 6917 1 15 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.115 -0.120 18230 6918 1 15 . 1 1 35 35 GLU C C 35 178.776 178.776 178.821 -0.045 18230 6919 1 15 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.073 0.513 18230 6920 1 15 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.831 -0.882 18230 6921 1 15 . 1 1 35 35 GLU H H 35 7.742 7.742 7.816 -0.074 18230 6922 1 15 . 1 1 36 36 LEU N N 36 124.753 124.753 122.356 2.397 18230 6923 1 15 . 1 1 36 36 LEU HA H 36 2.696 2.696 2.842 -0.146 18230 6924 1 15 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.173 2.524 18230 6925 1 15 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.760 0.208 18230 6926 1 15 . 1 1 36 36 LEU H H 36 8.304 8.304 8.130 0.173 18230 6927 1 15 . 1 1 37 37 LEU N N 37 119.058 119.058 117.840 1.218 18230 6928 1 15 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.960 -0.233 18230 6929 1 15 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.002 0.311 18230 6930 1 15 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.885 0.915 18230 6931 1 15 . 1 1 37 37 LEU H H 37 8.684 8.684 8.379 0.305 18230 6932 1 15 . 1 1 38 38 GLN N N 38 114.728 114.728 116.626 -1.898 18230 6933 1 15 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.208 -0.267 18230 6934 1 15 . 1 1 38 38 GLN C C 38 177.584 177.584 178.056 -0.472 18230 6935 1 15 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.534 -0.056 18230 6936 1 15 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.812 0.215 18230 6937 1 15 . 1 1 38 38 GLN H H 38 8.510 8.510 7.651 0.859 18230 6938 1 15 . 1 1 39 39 THR N N 39 110.419 110.419 110.336 0.083 18230 6939 1 15 . 1 1 39 39 THR HA H 39 4.238 4.238 4.244 -0.006 18230 6940 1 15 . 1 1 39 39 THR C C 39 176.341 176.341 175.660 0.681 18230 6941 1 15 . 1 1 39 39 THR CA C 39 64.874 64.874 64.517 0.357 18230 6942 1 15 . 1 1 39 39 THR CB C 39 69.919 69.919 69.027 0.892 18230 6943 1 15 . 1 1 39 39 THR H H 39 7.863 7.863 8.045 -0.182 18230 6944 1 15 . 1 1 40 40 GLU N N 40 117.514 117.514 120.193 -2.679 18230 6945 1 15 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.481 0.272 18230 6946 1 15 . 1 1 40 40 GLU C C 40 177.807 177.807 176.789 1.018 18230 6947 1 15 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.201 -0.719 18230 6948 1 15 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.037 0.752 18230 6949 1 15 . 1 1 40 40 GLU H H 40 8.468 8.468 8.100 0.368 18230 6950 1 15 . 1 1 41 41 LEU N N 41 121.141 121.141 121.004 0.137 18230 6951 1 15 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.647 0.366 18230 6952 1 15 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.262 -1.432 18230 6953 1 15 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.299 0.324 18230 6954 1 15 . 1 1 41 41 LEU H H 41 7.682 7.682 8.185 -0.503 18230 6955 1 15 . 1 1 42 42 SER N N 42 116.557 116.557 118.068 -1.511 18230 6956 1 15 . 1 1 42 42 SER HA H 42 4.055 4.055 4.437 -0.382 18230 6957 1 15 . 1 1 42 42 SER C C 42 176.537 176.537 176.490 0.047 18230 6958 1 15 . 1 1 42 42 SER CA C 42 61.552 61.552 60.554 0.998 18230 6959 1 15 . 1 1 42 42 SER CB C 42 62.783 62.783 64.366 -1.583 18230 6960 1 15 . 1 1 42 42 SER H H 42 8.186 8.186 8.838 -0.652 18230 6961 1 15 . 1 1 43 43 GLY N N 43 111.517 111.517 110.634 0.883 18230 6962 1 15 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.879 -0.832 18230 6963 1 15 . 1 1 43 43 GLY H H 43 8.880 8.880 8.831 0.049 18230 6964 1 15 . 1 1 44 44 PHE N N 44 122.405 122.405 119.851 2.554 18230 6965 1 15 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.158 0.199 18230 6966 1 15 . 1 1 44 44 PHE C C 44 176.851 176.851 177.487 -0.636 18230 6967 1 15 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.231 -1.396 18230 6968 1 15 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.651 0.969 18230 6969 1 15 . 1 1 44 44 PHE H H 44 7.972 7.972 8.046 -0.074 18230 6970 1 15 . 1 1 45 45 LEU N N 45 119.444 119.444 118.921 0.523 18230 6971 1 15 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.104 -0.175 18230 6972 1 15 . 1 1 45 45 LEU CA C 45 56.263 56.263 57.070 -0.807 18230 6973 1 15 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.293 0.664 18230 6974 1 15 . 1 1 45 45 LEU H H 45 8.148 8.148 7.733 0.415 18230 6975 1 15 . 1 1 46 46 ASP N N 46 120.023 120.023 120.275 -0.252 18230 6976 1 15 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.379 -0.003 18230 6977 1 15 . 1 1 46 46 ASP CA C 46 55.682 55.682 57.176 -1.494 18230 6978 1 15 . 1 1 46 46 ASP CB C 46 40.788 40.788 41.059 -0.271 18230 6979 1 15 . 1 1 46 46 ASP H H 46 8.307 8.307 8.618 -0.311 18230 6980 1 15 . 1 1 47 47 ALA N N 47 121.156 121.156 122.273 -1.117 18230 6981 1 15 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.060 0.096 18230 6982 1 15 . 1 1 47 47 ALA CA C 47 52.913 52.913 54.606 -1.693 18230 6983 1 15 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.084 0.570 18230 6984 1 15 . 1 1 47 47 ALA H H 47 7.606 7.606 8.090 -0.484 18230 6985 1 15 . 1 1 48 48 GLN N N 48 116.408 116.408 116.721 -0.313 18230 6986 1 15 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.133 0.003 18230 6987 1 15 . 1 1 48 48 GLN C C 48 175.882 175.882 177.465 -1.583 18230 6988 1 15 . 1 1 48 48 GLN CA C 48 55.362 55.362 56.525 -1.163 18230 6989 1 15 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.852 -0.370 18230 6990 1 15 . 1 1 48 48 GLN H H 48 7.665 7.665 7.878 -0.213 18230 6991 1 15 . 1 1 49 49 LYS HA H 49 4.129 4.129 3.924 0.205 18230 6992 1 15 . 1 1 49 49 LYS CA C 49 56.706 56.706 58.225 -1.519 18230 6993 1 15 . 1 1 49 49 LYS CB C 49 32.298 32.298 31.391 0.907 18230 6994 1 15 . 1 1 50 50 ASP N N 50 118.824 118.824 120.208 -1.384 18230 6995 1 15 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.643 -0.095 18230 6996 1 15 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.034 -0.069 18230 6997 1 15 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.257 0.778 18230 6998 1 15 . 1 1 50 50 ASP H H 50 7.982 7.982 8.037 -0.055 18230 6999 1 15 . 1 1 51 51 VAL N N 51 121.055 121.055 121.057 -0.002 18230 7000 1 15 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.937 0.014 18230 7001 1 15 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.928 -1.272 18230 7002 1 15 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.740 0.260 18230 7003 1 15 . 1 1 51 51 VAL H H 51 8.231 8.231 8.361 -0.130 18230 7004 1 15 . 1 1 52 52 ASP N N 52 121.189 121.189 120.140 1.049 18230 7005 1 15 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.669 0.090 18230 7006 1 15 . 1 1 52 52 ASP C C 52 176.367 176.367 176.912 -0.545 18230 7007 1 15 . 1 1 52 52 ASP CA C 52 53.716 53.716 54.705 -0.989 18230 7008 1 15 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.327 1.072 18230 7009 1 15 . 1 1 52 52 ASP H H 52 8.410 8.410 8.598 -0.188 18230 7010 1 15 . 1 1 53 53 ALA N N 53 123.582 123.582 123.743 -0.161 18230 7011 1 15 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.055 -0.123 18230 7012 1 15 . 1 1 53 53 ALA C C 53 179.208 179.208 178.589 0.619 18230 7013 1 15 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.304 -0.037 18230 7014 1 15 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.624 0.533 18230 7015 1 15 . 1 1 53 53 ALA H H 53 7.755 7.755 7.439 0.316 18230 7016 1 15 . 1 1 54 54 VAL N N 54 116.235 116.235 118.092 -1.857 18230 7017 1 15 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.646 -0.191 18230 7018 1 15 . 1 1 54 54 VAL C C 54 176.432 176.432 176.382 0.050 18230 7019 1 15 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.032 0.212 18230 7020 1 15 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.639 -0.875 18230 7021 1 15 . 1 1 54 54 VAL H H 54 8.300 8.300 7.928 0.371 18230 7022 1 15 . 1 1 55 55 ASP N N 55 120.594 120.594 119.534 1.060 18230 7023 1 15 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.321 -0.166 18230 7024 1 15 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.833 -0.249 18230 7025 1 15 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.130 0.700 18230 7026 1 15 . 1 1 55 55 ASP H H 55 7.684 7.684 8.438 -0.754 18230 7027 1 15 . 1 1 56 56 LYS N N 56 119.178 119.178 120.088 -0.910 18230 7028 1 15 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.056 -0.128 18230 7029 1 15 . 1 1 56 56 LYS C C 56 178.697 178.697 179.330 -0.633 18230 7030 1 15 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.380 0.122 18230 7031 1 15 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.578 -0.288 18230 7032 1 15 . 1 1 56 56 LYS H H 56 7.638 7.638 8.017 -0.379 18230 7033 1 15 . 1 1 57 57 VAL N N 57 119.870 119.870 119.406 0.464 18230 7034 1 15 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.767 -0.043 18230 7035 1 15 . 1 1 57 57 VAL C C 57 177.558 177.558 178.363 -0.805 18230 7036 1 15 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.557 -0.631 18230 7037 1 15 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.741 -0.594 18230 7038 1 15 . 1 1 57 57 VAL H H 57 7.928 7.928 8.250 -0.322 18230 7039 1 15 . 1 1 58 58 MET N N 58 118.736 118.736 118.318 0.418 18230 7040 1 15 . 1 1 58 58 MET HA H 58 3.928 3.928 4.238 -0.310 18230 7041 1 15 . 1 1 58 58 MET C C 58 177.021 177.021 177.887 -0.866 18230 7042 1 15 . 1 1 58 58 MET CA C 58 58.534 58.534 58.496 0.038 18230 7043 1 15 . 1 1 58 58 MET CB C 58 32.065 32.065 32.018 0.047 18230 7044 1 15 . 1 1 58 58 MET H H 58 8.443 8.443 8.496 -0.053 18230 7045 1 15 . 1 1 59 59 LYS N N 59 116.214 116.214 118.987 -2.773 18230 7046 1 15 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.969 -0.001 18230 7047 1 15 . 1 1 59 59 LYS C C 59 178.893 178.893 178.712 0.181 18230 7048 1 15 . 1 1 59 59 LYS CA C 59 58.866 58.866 58.825 0.041 18230 7049 1 15 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.591 0.474 18230 7050 1 15 . 1 1 59 59 LYS H H 59 7.629 7.629 7.925 -0.296 18230 7051 1 15 . 1 1 60 60 GLU N N 60 117.288 117.288 118.247 -0.959 18230 7052 1 15 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.105 -0.070 18230 7053 1 15 . 1 1 60 60 GLU C C 60 178.173 178.173 178.435 -0.262 18230 7054 1 15 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.510 -0.281 18230 7055 1 15 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.826 -0.020 18230 7056 1 15 . 1 1 60 60 GLU H H 60 7.599 7.599 7.469 0.130 18230 7057 1 15 . 1 1 61 61 LEU N N 61 116.163 116.163 116.821 -0.658 18230 7058 1 15 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.154 0.216 18230 7059 1 15 . 1 1 61 61 LEU C C 61 178.893 178.893 177.874 1.019 18230 7060 1 15 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.353 -1.114 18230 7061 1 15 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.335 1.606 18230 7062 1 15 . 1 1 61 61 LEU H H 61 8.060 8.060 7.255 0.805 18230 7063 1 15 . 1 1 62 62 ASP N N 62 116.934 116.934 118.566 -1.632 18230 7064 1 15 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.838 -0.172 18230 7065 1 15 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.778 -0.533 18230 7066 1 15 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.915 -0.906 18230 7067 1 15 . 1 1 62 62 ASP H H 62 8.012 8.012 8.030 -0.018 18230 7068 1 15 . 1 1 63 63 GLU N N 63 129.388 129.388 126.415 2.973 18230 7069 1 15 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.006 0.016 18230 7070 1 15 . 1 1 63 63 GLU C C 63 177.519 177.519 178.007 -0.488 18230 7071 1 15 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.947 -0.275 18230 7072 1 15 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.909 0.598 18230 7073 1 15 . 1 1 63 63 GLU H H 63 8.356 8.356 8.505 -0.149 18230 7074 1 15 . 1 1 64 64 ASN N N 64 112.751 112.751 116.665 -3.914 18230 7075 1 15 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.528 0.205 18230 7076 1 15 . 1 1 64 64 ASN C C 64 176.498 176.498 176.177 0.321 18230 7077 1 15 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.413 -2.524 18230 7078 1 15 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.925 -1.753 18230 7079 1 15 . 1 1 64 64 ASN H H 64 7.997 7.997 7.808 0.189 18230 7080 1 15 . 1 1 65 65 GLY N N 65 109.265 109.265 107.018 2.247 18230 7081 1 15 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.550 1.853 18230 7082 1 15 . 1 1 65 65 GLY H H 65 7.552 7.552 8.305 -0.753 18230 7083 1 15 . 1 1 66 66 ASP N N 66 119.331 119.331 121.000 -1.669 18230 7084 1 15 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.581 -0.049 18230 7085 1 15 . 1 1 66 66 ASP CA C 66 53.190 53.190 53.131 0.059 18230 7086 1 15 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.951 -0.708 18230 7087 1 15 . 1 1 66 66 ASP H H 66 8.124 8.124 8.028 0.096 18230 7088 1 15 . 1 1 67 67 GLY N N 67 113.348 113.348 109.496 3.852 18230 7089 1 15 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.533 0.071 18230 7090 1 15 . 1 1 67 67 GLY H H 67 10.285 10.285 9.367 0.918 18230 7091 1 15 . 1 1 68 68 GLU N N 68 117.060 117.060 118.965 -1.905 18230 7092 1 15 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.818 -0.017 18230 7093 1 15 . 1 1 68 68 GLU C C 68 175.176 175.176 174.996 0.180 18230 7094 1 15 . 1 1 68 68 GLU CA C 68 54.510 54.510 55.023 -0.513 18230 7095 1 15 . 1 1 68 68 GLU CB C 68 36.223 36.223 33.065 3.159 18230 7096 1 15 . 1 1 68 68 GLU H H 68 7.732 7.732 7.635 0.097 18230 7097 1 15 . 1 1 69 69 VAL N N 69 125.264 125.264 121.178 4.086 18230 7098 1 15 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.720 0.520 18230 7099 1 15 . 1 1 69 69 VAL C C 69 175.961 175.961 174.879 1.082 18230 7100 1 15 . 1 1 69 69 VAL CA C 69 61.144 61.144 61.058 0.086 18230 7101 1 15 . 1 1 69 69 VAL CB C 69 33.685 33.685 34.013 -0.328 18230 7102 1 15 . 1 1 69 69 VAL H H 69 9.392 9.392 8.960 0.432 18230 7103 1 15 . 1 1 70 70 ASP N N 70 129.378 129.378 124.981 4.397 18230 7104 1 15 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.992 0.169 18230 7105 1 15 . 1 1 70 70 ASP C C 70 175.032 175.032 176.860 -1.828 18230 7106 1 15 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.193 0.222 18230 7107 1 15 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.462 -1.623 18230 7108 1 15 . 1 1 70 70 ASP H H 70 9.112 9.112 8.961 0.151 18230 7109 1 15 . 1 1 71 71 PHE N N 71 118.452 118.452 123.941 -5.489 18230 7110 1 15 . 1 1 71 71 PHE HA H 71 2.913 2.913 2.994 -0.081 18230 7111 1 15 . 1 1 71 71 PHE C C 71 176.576 176.576 176.761 -0.185 18230 7112 1 15 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.398 3.036 18230 7113 1 15 . 1 1 71 71 PHE CB C 71 39.231 39.231 39.067 0.164 18230 7114 1 15 . 1 1 71 71 PHE H H 71 8.948 8.948 8.898 0.050 18230 7115 1 15 . 1 1 72 72 GLN N N 72 116.934 116.934 117.747 -0.813 18230 7116 1 15 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.831 -0.143 18230 7117 1 15 . 1 1 72 72 GLN C C 72 178.056 178.056 178.272 -0.216 18230 7118 1 15 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.749 -0.156 18230 7119 1 15 . 1 1 72 72 GLN CB C 72 28.164 28.164 27.861 0.303 18230 7120 1 15 . 1 1 72 72 GLN H H 72 8.012 8.012 8.727 -0.715 18230 7121 1 15 . 1 1 73 73 GLU N N 73 120.208 120.208 120.518 -0.310 18230 7122 1 15 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.036 0.030 18230 7123 1 15 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.672 -1.166 18230 7124 1 15 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.430 0.687 18230 7125 1 15 . 1 1 73 73 GLU H H 73 8.308 8.308 7.693 0.615 18230 7126 1 15 . 1 1 74 74 TYR N N 74 121.623 121.623 121.570 0.053 18230 7127 1 15 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.191 -0.102 18230 7128 1 15 . 1 1 74 74 TYR C C 74 176.485 176.485 177.531 -1.046 18230 7129 1 15 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.755 -2.280 18230 7130 1 15 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.724 -0.718 18230 7131 1 15 . 1 1 74 74 TYR H H 74 8.339 8.339 8.604 -0.265 18230 7132 1 15 . 1 1 75 75 VAL N N 75 120.827 120.827 119.415 1.412 18230 7133 1 15 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.575 -0.701 18230 7134 1 15 . 1 1 75 75 VAL C C 75 176.563 176.563 177.599 -1.036 18230 7135 1 15 . 1 1 75 75 VAL CA C 75 66.354 66.354 67.097 -0.743 18230 7136 1 15 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.966 -1.315 18230 7137 1 15 . 1 1 75 75 VAL H H 75 8.088 8.088 8.373 -0.285 18230 7138 1 15 . 1 1 76 76 VAL N N 76 120.216 120.216 118.167 2.049 18230 7139 1 15 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.676 -0.261 18230 7140 1 15 . 1 1 76 76 VAL C C 76 178.645 178.645 177.329 1.316 18230 7141 1 15 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.301 0.557 18230 7142 1 15 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.251 0.049 18230 7143 1 15 . 1 1 76 76 VAL H H 76 7.132 7.132 7.975 -0.843 18230 7144 1 15 . 1 1 77 77 LEU N N 77 120.900 120.900 121.737 -0.837 18230 7145 1 15 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.929 0.099 18230 7146 1 15 . 1 1 77 77 LEU C C 77 177.362 177.362 178.327 -0.965 18230 7147 1 15 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.203 -0.528 18230 7148 1 15 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.540 -0.985 18230 7149 1 15 . 1 1 77 77 LEU H H 77 6.860 6.860 7.904 -1.044 18230 7150 1 15 . 1 1 78 78 VAL N N 78 116.991 116.991 115.473 1.518 18230 7151 1 15 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.457 -0.334 18230 7152 1 15 . 1 1 78 78 VAL C C 78 179.142 179.142 177.644 1.498 18230 7153 1 15 . 1 1 78 78 VAL CA C 78 66.828 66.828 66.140 0.688 18230 7154 1 15 . 1 1 78 78 VAL CB C 78 31.301 31.301 31.126 0.175 18230 7155 1 15 . 1 1 78 78 VAL H H 78 7.519 7.519 7.927 -0.408 18230 7156 1 15 . 1 1 79 79 ALA N N 79 124.679 124.679 122.850 1.829 18230 7157 1 15 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.027 -0.341 18230 7158 1 15 . 1 1 79 79 ALA C C 79 178.213 178.213 179.018 -0.805 18230 7159 1 15 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.838 1.170 18230 7160 1 15 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.326 -0.509 18230 7161 1 15 . 1 1 79 79 ALA H H 79 8.964 8.964 8.183 0.781 18230 7162 1 15 . 1 1 80 80 ALA N N 80 120.376 120.376 121.517 -1.141 18230 7163 1 15 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.075 -0.041 18230 7164 1 15 . 1 1 80 80 ALA C C 80 181.852 181.852 179.655 2.197 18230 7165 1 15 . 1 1 80 80 ALA CA C 80 55.283 55.283 55.009 0.274 18230 7166 1 15 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.338 -0.538 18230 7167 1 15 . 1 1 80 80 ALA H H 80 7.794 7.794 8.380 -0.586 18230 7168 1 15 . 1 1 81 81 LEU N N 81 119.275 119.275 118.483 0.792 18230 7169 1 15 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.069 -0.029 18230 7170 1 15 . 1 1 81 81 LEU C C 81 179.168 179.168 179.423 -0.255 18230 7171 1 15 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.916 -0.571 18230 7172 1 15 . 1 1 81 81 LEU CB C 81 41.645 41.645 40.911 0.734 18230 7173 1 15 . 1 1 81 81 LEU H H 81 8.494 8.494 8.267 0.227 18230 7174 1 15 . 1 1 82 82 THR N N 82 119.781 119.781 116.741 3.040 18230 7175 1 15 . 1 1 82 82 THR HA H 82 3.800 3.800 3.906 -0.106 18230 7176 1 15 . 1 1 82 82 THR CA C 82 68.473 68.473 67.195 1.278 18230 7177 1 15 . 1 1 82 82 THR CB C 82 67.796 67.796 68.525 -0.729 18230 7178 1 15 . 1 1 82 82 THR H H 82 8.418 8.418 7.887 0.531 18230 7179 1 15 . 1 1 83 83 VAL N N 83 122.419 122.419 121.896 0.523 18230 7180 1 15 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.749 -0.047 18230 7181 1 15 . 1 1 83 83 VAL C C 83 177.781 177.781 177.001 0.780 18230 7182 1 15 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.859 1.452 18230 7183 1 15 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.546 0.129 18230 7184 1 15 . 1 1 83 83 VAL H H 83 8.164 8.164 8.149 0.015 18230 7185 1 15 . 1 1 84 84 ALA N N 84 121.470 121.470 121.750 -0.280 18230 7186 1 15 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.105 0.043 18230 7187 1 15 . 1 1 84 84 ALA C C 84 180.032 180.032 179.610 0.422 18230 7188 1 15 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.185 -0.080 18230 7189 1 15 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.835 -0.037 18230 7190 1 15 . 1 1 84 84 ALA H H 84 7.877 7.877 8.366 -0.489 18230 7191 1 15 . 1 1 85 85 CYS N N 85 117.473 117.473 119.284 -1.811 18230 7192 1 15 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.329 0.095 18230 7193 1 15 . 1 1 85 85 CYS C C 85 176.092 176.092 176.785 -0.693 18230 7194 1 15 . 1 1 85 85 CYS CA C 85 57.980 57.980 62.738 -4.758 18230 7195 1 15 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.308 14.248 18230 7196 1 15 . 1 1 85 85 CYS H H 85 8.370 8.370 8.298 0.072 18230 7197 1 15 . 1 1 86 86 ASN N N 86 119.886 119.886 119.235 0.651 18230 7198 1 15 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.469 -0.233 18230 7199 1 15 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.973 0.287 18230 7200 1 15 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.445 1.233 18230 7201 1 15 . 1 1 87 87 ASN N N 87 117.136 117.136 118.789 -1.653 18230 7202 1 15 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.588 -0.188 18230 7203 1 15 . 1 1 87 87 ASN CA C 87 55.032 55.032 55.851 -0.819 18230 7204 1 15 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.386 -0.557 18230 7205 1 15 . 1 1 87 87 ASN H H 87 8.136 8.136 8.387 -0.251 18230 7206 1 15 . 1 1 88 88 PHE N N 88 119.001 119.001 121.118 -2.117 18230 7207 1 15 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.204 0.086 18230 7208 1 15 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.642 -1.944 18230 7209 1 15 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.147 0.059 18230 7210 1 15 . 1 1 88 88 PHE H H 88 7.865 7.865 8.034 -0.169 18230 7211 1 15 . 1 1 89 89 PHE N N 89 118.050 118.050 117.734 0.316 18230 7212 1 15 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.176 0.034 18230 7213 1 15 . 1 1 89 89 PHE CA C 89 59.500 59.500 60.907 -1.407 18230 7214 1 15 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.586 -0.099 18230 7215 1 15 . 1 1 89 89 PHE H H 89 7.924 7.924 8.259 -0.335 18230 7216 1 15 . 1 1 90 90 TRP N N 90 119.104 119.104 120.055 -0.951 18230 7217 1 15 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.420 0.056 18230 7218 1 15 . 1 1 90 90 TRP CA C 90 57.688 57.688 58.744 -1.056 18230 7219 1 15 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.434 -0.940 18230 7220 1 15 . 1 1 90 90 TRP H H 90 7.848 7.848 8.174 -0.326 18230 7221 1 15 . 1 1 91 91 GLU N N 91 120.457 120.457 118.068 2.389 18230 7222 1 15 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.467 -0.338 18230 7223 1 15 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.417 1.622 18230 7224 1 15 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.257 -1.224 18230 7225 1 15 . 1 1 91 91 GLU H H 91 7.816 7.816 8.061 -0.245 18230 7226 1 15 . 1 1 92 92 ASN N N 92 125.418 125.418 120.354 5.064 18230 7227 1 15 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.279 0.131 18230 7228 1 15 . 1 1 92 92 ASN CA C 92 54.731 54.731 55.025 -0.294 18230 7229 1 15 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.844 2.230 18230 7230 1 15 . 1 1 92 92 ASN H H 92 7.846 7.846 8.531 -0.685 18230 7231 1 16 . 1 1 2 2 SER HA H 2 4.757 4.757 4.332 0.425 18230 7232 1 16 . 1 1 2 2 SER CA C 2 57.482 57.482 59.618 -2.136 18230 7233 1 16 . 1 1 2 2 SER CB C 2 64.893 64.893 63.557 1.336 18230 7234 1 16 . 1 1 3 3 GLU N N 3 123.948 123.948 122.975 0.973 18230 7235 1 16 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.091 0.034 18230 7236 1 16 . 1 1 3 3 GLU C C 3 179.443 179.443 178.713 0.730 18230 7237 1 16 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.122 1.178 18230 7238 1 16 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.221 0.351 18230 7239 1 16 . 1 1 3 3 GLU H H 3 9.442 9.442 8.674 0.768 18230 7240 1 16 . 1 1 4 4 LEU N N 4 120.236 120.236 120.461 -0.225 18230 7241 1 16 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.001 0.074 18230 7242 1 16 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.835 0.256 18230 7243 1 16 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.945 0.557 18230 7244 1 16 . 1 1 4 4 LEU H H 4 8.907 8.907 7.557 1.350 18230 7245 1 16 . 1 1 5 5 GLU N N 5 119.034 119.034 118.556 0.478 18230 7246 1 16 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.083 -0.115 18230 7247 1 16 . 1 1 5 5 GLU C C 5 179.234 179.234 179.137 0.097 18230 7248 1 16 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.244 0.896 18230 7249 1 16 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.058 0.358 18230 7250 1 16 . 1 1 5 5 GLU H H 5 8.296 8.296 8.309 -0.013 18230 7251 1 16 . 1 1 6 6 THR N N 6 116.586 116.586 117.381 -0.795 18230 7252 1 16 . 1 1 6 6 THR HA H 6 4.008 4.008 4.027 -0.019 18230 7253 1 16 . 1 1 6 6 THR CA C 6 66.397 66.397 66.603 -0.206 18230 7254 1 16 . 1 1 6 6 THR CB C 6 68.595 68.595 68.649 -0.054 18230 7255 1 16 . 1 1 6 6 THR H H 6 8.282 8.282 8.541 -0.259 18230 7256 1 16 . 1 1 7 7 ALA N N 7 126.275 126.275 124.588 1.687 18230 7257 1 16 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.073 0.110 18230 7258 1 16 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.144 0.469 18230 7259 1 16 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.242 -0.302 18230 7260 1 16 . 1 1 7 7 ALA H H 7 8.141 8.141 8.127 0.014 18230 7261 1 16 . 1 1 8 8 MET N N 8 117.071 117.071 118.116 -1.045 18230 7262 1 16 . 1 1 8 8 MET HA H 8 3.834 3.834 4.000 -0.166 18230 7263 1 16 . 1 1 8 8 MET C C 8 177.846 177.846 178.849 -1.003 18230 7264 1 16 . 1 1 8 8 MET CA C 8 60.757 60.757 59.684 1.073 18230 7265 1 16 . 1 1 8 8 MET CB C 8 34.012 34.012 32.526 1.486 18230 7266 1 16 . 1 1 8 8 MET H H 8 8.269 8.269 8.231 0.038 18230 7267 1 16 . 1 1 9 9 GLU N N 9 117.667 117.667 118.859 -1.192 18230 7268 1 16 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.039 -0.111 18230 7269 1 16 . 1 1 9 9 GLU C C 9 178.933 178.933 179.188 -0.255 18230 7270 1 16 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.855 0.008 18230 7271 1 16 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.476 -0.214 18230 7272 1 16 . 1 1 9 9 GLU H H 9 8.105 8.105 8.749 -0.644 18230 7273 1 16 . 1 1 10 10 THR N N 10 118.326 118.326 117.601 0.725 18230 7274 1 16 . 1 1 10 10 THR HA H 10 4.075 4.075 4.086 -0.011 18230 7275 1 16 . 1 1 10 10 THR CA C 10 67.311 67.311 66.729 0.582 18230 7276 1 16 . 1 1 10 10 THR CB C 10 67.934 67.934 68.438 -0.504 18230 7277 1 16 . 1 1 10 10 THR H H 10 8.407 8.407 8.163 0.244 18230 7278 1 16 . 1 1 11 11 LEU N N 11 119.765 119.765 121.883 -2.118 18230 7279 1 16 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.088 -0.160 18230 7280 1 16 . 1 1 11 11 LEU C C 11 180.896 180.896 179.304 1.592 18230 7281 1 16 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.415 0.866 18230 7282 1 16 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.336 0.264 18230 7283 1 16 . 1 1 11 11 LEU H H 11 8.131 8.131 8.252 -0.121 18230 7284 1 16 . 1 1 12 12 ILE N N 12 119.540 119.540 120.291 -0.751 18230 7285 1 16 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.851 0.104 18230 7286 1 16 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.818 -0.086 18230 7287 1 16 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.660 1.726 18230 7288 1 16 . 1 1 12 12 ILE H H 12 7.715 7.715 8.472 -0.757 18230 7289 1 16 . 1 1 13 13 ASN N N 13 121.587 121.587 118.914 2.673 18230 7290 1 16 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.533 -0.002 18230 7291 1 16 . 1 1 13 13 ASN C C 13 178.867 178.867 178.204 0.663 18230 7292 1 16 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.209 0.220 18230 7293 1 16 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.219 -0.157 18230 7294 1 16 . 1 1 13 13 ASN H H 13 9.040 9.040 8.514 0.525 18230 7295 1 16 . 1 1 14 14 VAL N N 14 120.603 120.603 117.851 2.752 18230 7296 1 16 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.709 0.098 18230 7297 1 16 . 1 1 14 14 VAL C C 14 177.113 177.113 177.090 0.023 18230 7298 1 16 . 1 1 14 14 VAL CA C 14 66.508 66.508 65.986 0.522 18230 7299 1 16 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.194 0.404 18230 7300 1 16 . 1 1 14 14 VAL H H 14 8.954 8.954 8.202 0.752 18230 7301 1 16 . 1 1 15 15 PHE N N 15 117.585 117.585 121.771 -4.186 18230 7302 1 16 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.951 -0.492 18230 7303 1 16 . 1 1 15 15 PHE C C 15 177.257 177.257 177.187 0.070 18230 7304 1 16 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.060 1.516 18230 7305 1 16 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.742 0.310 18230 7306 1 16 . 1 1 15 15 PHE H H 15 6.956 6.956 8.268 -1.312 18230 7307 1 16 . 1 1 16 16 HIS N N 16 115.204 115.204 119.804 -4.600 18230 7308 1 16 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.947 0.892 18230 7309 1 16 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.586 -1.108 18230 7310 1 16 . 1 1 16 16 HIS CB C 16 28.920 28.920 30.115 -1.195 18230 7311 1 16 . 1 1 16 16 HIS H H 16 7.736 7.736 8.678 -0.942 18230 7312 1 16 . 1 1 17 17 ALA N N 17 123.201 123.201 121.759 1.442 18230 7313 1 16 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.905 0.131 18230 7314 1 16 . 1 1 17 17 ALA C C 17 178.867 178.867 179.403 -0.536 18230 7315 1 16 . 1 1 17 17 ALA CA C 17 54.145 54.145 55.054 -0.909 18230 7316 1 16 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.076 -0.415 18230 7317 1 16 . 1 1 17 17 ALA H H 17 8.066 8.066 8.036 0.030 18230 7318 1 16 . 1 1 18 18 HIS N N 18 113.974 113.974 115.809 -1.835 18230 7319 1 16 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.157 0.215 18230 7320 1 16 . 1 1 18 18 HIS C C 18 175.568 175.568 177.249 -1.681 18230 7321 1 16 . 1 1 18 18 HIS CA C 18 57.413 57.413 57.265 0.148 18230 7322 1 16 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.648 3.105 18230 7323 1 16 . 1 1 18 18 HIS H H 18 7.047 7.047 8.252 -1.205 18230 7324 1 16 . 1 1 19 19 SER N N 19 113.745 113.745 116.308 -2.563 18230 7325 1 16 . 1 1 19 19 SER HA H 19 3.658 3.658 3.978 -0.320 18230 7326 1 16 . 1 1 19 19 SER CA C 19 61.247 61.247 60.560 0.687 18230 7327 1 16 . 1 1 19 19 SER CB C 19 61.323 61.323 62.230 -0.907 18230 7328 1 16 . 1 1 19 19 SER H H 19 8.470 8.470 7.928 0.542 18230 7329 1 16 . 1 1 20 20 GLY N N 20 111.711 111.711 108.629 3.082 18230 7330 1 16 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.614 -0.231 18230 7331 1 16 . 1 1 20 20 GLY H H 20 7.739 7.739 7.477 0.262 18230 7332 1 16 . 1 1 21 21 LYS N N 21 122.328 122.328 120.847 1.481 18230 7333 1 16 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.945 -0.031 18230 7334 1 16 . 1 1 21 21 LYS C C 21 177.192 177.192 177.181 0.011 18230 7335 1 16 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.264 1.073 18230 7336 1 16 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.786 -0.098 18230 7337 1 16 . 1 1 21 21 LYS H H 21 7.200 7.200 7.562 -0.362 18230 7338 1 16 . 1 1 22 22 GLU N N 22 115.975 115.975 117.404 -1.429 18230 7339 1 16 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.394 0.263 18230 7340 1 16 . 1 1 22 22 GLU C C 22 175.882 175.882 175.618 0.264 18230 7341 1 16 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.073 -0.969 18230 7342 1 16 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.730 0.273 18230 7343 1 16 . 1 1 22 22 GLU H H 22 9.369 9.369 7.732 1.637 18230 7344 1 16 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.174 0.662 18230 7345 1 16 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.856 0.420 18230 7346 1 16 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.497 -0.517 18230 7347 1 16 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.385 -1.177 18230 7348 1 16 . 1 1 26 26 TYR N N 26 119.825 119.825 114.904 4.921 18230 7349 1 16 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.783 -0.078 18230 7350 1 16 . 1 1 26 26 TYR C C 26 173.696 173.696 174.697 -1.001 18230 7351 1 16 . 1 1 26 26 TYR CA C 26 56.180 56.180 57.261 -1.081 18230 7352 1 16 . 1 1 26 26 TYR CB C 26 38.049 38.049 38.328 -0.279 18230 7353 1 16 . 1 1 26 26 TYR H H 26 9.414 9.414 7.681 1.733 18230 7354 1 16 . 1 1 27 27 LYS N N 27 114.922 114.922 120.097 -5.175 18230 7355 1 16 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.822 0.298 18230 7356 1 16 . 1 1 27 27 LYS C C 27 174.678 174.678 173.987 0.691 18230 7357 1 16 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.945 0.045 18230 7358 1 16 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.625 2.216 18230 7359 1 16 . 1 1 27 27 LYS H H 27 7.107 7.107 7.801 -0.694 18230 7360 1 16 . 1 1 28 28 LEU N N 28 125.976 125.976 125.732 0.244 18230 7361 1 16 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.831 0.353 18230 7362 1 16 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.909 -0.134 18230 7363 1 16 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.782 -2.745 18230 7364 1 16 . 1 1 28 28 LEU H H 28 9.757 9.757 8.928 0.829 18230 7365 1 16 . 1 1 29 29 SER N N 29 121.025 121.025 120.102 0.923 18230 7366 1 16 . 1 1 29 29 SER HA H 29 4.558 4.558 4.733 -0.175 18230 7367 1 16 . 1 1 29 29 SER C C 29 174.338 174.338 175.196 -0.858 18230 7368 1 16 . 1 1 29 29 SER CA C 29 56.208 56.208 56.159 0.049 18230 7369 1 16 . 1 1 29 29 SER CB C 29 65.480 65.480 65.029 0.451 18230 7370 1 16 . 1 1 29 29 SER H H 29 9.908 9.908 8.036 1.872 18230 7371 1 16 . 1 1 30 30 LYS N N 30 120.385 120.385 125.868 -5.483 18230 7372 1 16 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.908 -0.061 18230 7373 1 16 . 1 1 30 30 LYS C C 30 177.859 177.859 178.397 -0.538 18230 7374 1 16 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.605 0.697 18230 7375 1 16 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.431 -0.420 18230 7376 1 16 . 1 1 30 30 LYS H H 30 8.845 8.845 9.120 -0.275 18230 7377 1 16 . 1 1 31 31 LYS N N 31 118.358 118.358 117.972 0.386 18230 7378 1 16 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.038 -0.137 18230 7379 1 16 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.630 -0.017 18230 7380 1 16 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.512 1.487 18230 7381 1 16 . 1 1 31 31 LYS H H 31 7.924 7.924 7.853 0.071 18230 7382 1 16 . 1 1 32 32 GLU N N 32 119.355 119.355 119.315 0.040 18230 7383 1 16 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.051 -0.150 18230 7384 1 16 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.269 -0.431 18230 7385 1 16 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.385 1.278 18230 7386 1 16 . 1 1 32 32 GLU H H 32 7.502 7.502 8.045 -0.543 18230 7387 1 16 . 1 1 33 33 LEU N N 33 119.533 119.533 117.664 1.869 18230 7388 1 16 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.370 -0.462 18230 7389 1 16 . 1 1 33 33 LEU C C 33 177.571 177.571 179.119 -1.548 18230 7390 1 16 . 1 1 33 33 LEU CA C 33 57.775 57.775 57.943 -0.168 18230 7391 1 16 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.275 0.214 18230 7392 1 16 . 1 1 33 33 LEU H H 33 9.076 9.076 8.400 0.676 18230 7393 1 16 . 1 1 34 34 LYS N N 34 119.251 119.251 119.318 -0.067 18230 7394 1 16 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.927 -0.281 18230 7395 1 16 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.400 1.183 18230 7396 1 16 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.977 0.088 18230 7397 1 16 . 1 1 34 34 LYS H H 34 8.262 8.262 8.389 -0.127 18230 7398 1 16 . 1 1 35 35 GLU N N 35 117.642 117.642 119.569 -1.927 18230 7399 1 16 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.093 -0.098 18230 7400 1 16 . 1 1 35 35 GLU C C 35 178.776 178.776 178.953 -0.177 18230 7401 1 16 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.132 0.454 18230 7402 1 16 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.751 -0.802 18230 7403 1 16 . 1 1 35 35 GLU H H 35 7.742 7.742 7.829 -0.087 18230 7404 1 16 . 1 1 36 36 LEU N N 36 124.753 124.753 122.666 2.087 18230 7405 1 16 . 1 1 36 36 LEU HA H 36 2.696 2.696 4.102 -1.406 18230 7406 1 16 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.797 1.900 18230 7407 1 16 . 1 1 36 36 LEU CB C 36 41.968 41.968 42.264 -0.296 18230 7408 1 16 . 1 1 36 36 LEU H H 36 8.304 8.304 8.377 -0.073 18230 7409 1 16 . 1 1 37 37 LEU N N 37 119.058 119.058 117.949 1.109 18230 7410 1 16 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.978 -0.251 18230 7411 1 16 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.228 0.084 18230 7412 1 16 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.684 1.116 18230 7413 1 16 . 1 1 37 37 LEU H H 37 8.684 8.684 8.555 0.129 18230 7414 1 16 . 1 1 38 38 GLN N N 38 114.728 114.728 117.062 -2.334 18230 7415 1 16 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.214 -0.273 18230 7416 1 16 . 1 1 38 38 GLN C C 38 177.584 177.584 178.792 -1.208 18230 7417 1 16 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.927 -0.449 18230 7418 1 16 . 1 1 38 38 GLN CB C 38 29.027 29.027 29.054 -0.027 18230 7419 1 16 . 1 1 38 38 GLN H H 38 8.510 8.510 7.682 0.828 18230 7420 1 16 . 1 1 39 39 THR N N 39 110.419 110.419 111.447 -1.028 18230 7421 1 16 . 1 1 39 39 THR HA H 39 4.238 4.238 4.125 0.113 18230 7422 1 16 . 1 1 39 39 THR C C 39 176.341 176.341 176.343 -0.002 18230 7423 1 16 . 1 1 39 39 THR CA C 39 64.874 64.874 65.132 -0.258 18230 7424 1 16 . 1 1 39 39 THR CB C 39 69.919 69.919 68.915 1.004 18230 7425 1 16 . 1 1 39 39 THR H H 39 7.863 7.863 8.027 -0.164 18230 7426 1 16 . 1 1 40 40 GLU N N 40 117.514 117.514 120.177 -2.663 18230 7427 1 16 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.404 0.349 18230 7428 1 16 . 1 1 40 40 GLU C C 40 177.807 177.807 176.798 1.009 18230 7429 1 16 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.468 -0.986 18230 7430 1 16 . 1 1 40 40 GLU CB C 40 31.789 31.789 30.869 0.920 18230 7431 1 16 . 1 1 40 40 GLU H H 40 8.468 8.468 8.412 0.056 18230 7432 1 16 . 1 1 41 41 LEU N N 41 121.141 121.141 121.216 -0.075 18230 7433 1 16 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.658 0.355 18230 7434 1 16 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.340 -1.510 18230 7435 1 16 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.148 0.475 18230 7436 1 16 . 1 1 41 41 LEU H H 41 7.682 7.682 8.184 -0.502 18230 7437 1 16 . 1 1 42 42 SER N N 42 116.557 116.557 117.730 -1.173 18230 7438 1 16 . 1 1 42 42 SER HA H 42 4.055 4.055 4.514 -0.459 18230 7439 1 16 . 1 1 42 42 SER C C 42 176.537 176.537 176.467 0.070 18230 7440 1 16 . 1 1 42 42 SER CA C 42 61.552 61.552 60.524 1.028 18230 7441 1 16 . 1 1 42 42 SER CB C 42 62.783 62.783 64.349 -1.566 18230 7442 1 16 . 1 1 42 42 SER H H 42 8.186 8.186 8.809 -0.623 18230 7443 1 16 . 1 1 43 43 GLY N N 43 111.517 111.517 111.223 0.294 18230 7444 1 16 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.866 -0.819 18230 7445 1 16 . 1 1 43 43 GLY H H 43 8.880 8.880 8.818 0.062 18230 7446 1 16 . 1 1 44 44 PHE N N 44 122.405 122.405 119.506 2.899 18230 7447 1 16 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.184 0.173 18230 7448 1 16 . 1 1 44 44 PHE C C 44 176.851 176.851 177.376 -0.525 18230 7449 1 16 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.160 -1.325 18230 7450 1 16 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.606 1.014 18230 7451 1 16 . 1 1 44 44 PHE H H 44 7.972 7.972 8.053 -0.081 18230 7452 1 16 . 1 1 45 45 LEU N N 45 119.444 119.444 118.324 1.120 18230 7453 1 16 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.172 -0.243 18230 7454 1 16 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.861 -0.598 18230 7455 1 16 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.333 0.624 18230 7456 1 16 . 1 1 45 45 LEU H H 45 8.148 8.148 7.765 0.383 18230 7457 1 16 . 1 1 46 46 ASP N N 46 120.023 120.023 120.319 -0.296 18230 7458 1 16 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.343 0.033 18230 7459 1 16 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.560 -0.878 18230 7460 1 16 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.851 -0.063 18230 7461 1 16 . 1 1 46 46 ASP H H 46 8.307 8.307 8.460 -0.153 18230 7462 1 16 . 1 1 47 47 ALA N N 47 121.156 121.156 120.274 0.882 18230 7463 1 16 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.086 0.070 18230 7464 1 16 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.884 -0.971 18230 7465 1 16 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.883 -0.229 18230 7466 1 16 . 1 1 47 47 ALA H H 47 7.606 7.606 7.491 0.115 18230 7467 1 16 . 1 1 48 48 GLN N N 48 116.408 116.408 118.066 -1.658 18230 7468 1 16 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.458 -0.322 18230 7469 1 16 . 1 1 48 48 GLN C C 48 175.882 175.882 175.793 0.089 18230 7470 1 16 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.622 0.740 18230 7471 1 16 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.582 -0.100 18230 7472 1 16 . 1 1 48 48 GLN H H 48 7.665 7.665 7.480 0.185 18230 7473 1 16 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.055 0.074 18230 7474 1 16 . 1 1 49 49 LYS CA C 49 56.706 56.706 58.017 -1.311 18230 7475 1 16 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.749 -0.451 18230 7476 1 16 . 1 1 50 50 ASP N N 50 118.824 118.824 120.446 -1.622 18230 7477 1 16 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.610 -0.062 18230 7478 1 16 . 1 1 50 50 ASP CA C 50 53.965 53.965 53.743 0.222 18230 7479 1 16 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.446 0.589 18230 7480 1 16 . 1 1 50 50 ASP H H 50 7.982 7.982 7.857 0.125 18230 7481 1 16 . 1 1 51 51 VAL N N 51 121.055 121.055 120.889 0.166 18230 7482 1 16 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.883 0.068 18230 7483 1 16 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.915 -1.259 18230 7484 1 16 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.700 0.301 18230 7485 1 16 . 1 1 51 51 VAL H H 51 8.231 8.231 8.428 -0.197 18230 7486 1 16 . 1 1 52 52 ASP N N 52 121.189 121.189 121.483 -0.294 18230 7487 1 16 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.409 0.350 18230 7488 1 16 . 1 1 52 52 ASP C C 52 176.367 176.367 177.857 -1.490 18230 7489 1 16 . 1 1 52 52 ASP CA C 52 53.716 53.716 57.092 -3.376 18230 7490 1 16 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.534 0.865 18230 7491 1 16 . 1 1 52 52 ASP H H 52 8.410 8.410 8.787 -0.377 18230 7492 1 16 . 1 1 53 53 ALA N N 53 123.582 123.582 122.793 0.789 18230 7493 1 16 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.013 -0.081 18230 7494 1 16 . 1 1 53 53 ALA C C 53 179.208 179.208 179.078 0.130 18230 7495 1 16 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.083 0.184 18230 7496 1 16 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.373 0.784 18230 7497 1 16 . 1 1 53 53 ALA H H 53 7.755 7.755 7.466 0.289 18230 7498 1 16 . 1 1 54 54 VAL N N 54 116.235 116.235 118.297 -2.062 18230 7499 1 16 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.738 -0.283 18230 7500 1 16 . 1 1 54 54 VAL C C 54 176.432 176.432 176.998 -0.566 18230 7501 1 16 . 1 1 54 54 VAL CA C 54 66.244 66.244 65.858 0.386 18230 7502 1 16 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.191 -0.427 18230 7503 1 16 . 1 1 54 54 VAL H H 54 8.300 8.300 7.779 0.521 18230 7504 1 16 . 1 1 55 55 ASP N N 55 120.594 120.594 120.109 0.485 18230 7505 1 16 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.361 -0.206 18230 7506 1 16 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.721 -0.137 18230 7507 1 16 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.123 0.707 18230 7508 1 16 . 1 1 55 55 ASP H H 55 7.684 7.684 7.769 -0.085 18230 7509 1 16 . 1 1 56 56 LYS N N 56 119.178 119.178 120.244 -1.066 18230 7510 1 16 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.048 -0.120 18230 7511 1 16 . 1 1 56 56 LYS C C 56 178.697 178.697 179.315 -0.618 18230 7512 1 16 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.467 0.036 18230 7513 1 16 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.578 -0.288 18230 7514 1 16 . 1 1 56 56 LYS H H 56 7.638 7.638 7.980 -0.342 18230 7515 1 16 . 1 1 57 57 VAL N N 57 119.870 119.870 119.261 0.609 18230 7516 1 16 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.702 0.022 18230 7517 1 16 . 1 1 57 57 VAL C C 57 177.558 177.558 178.257 -0.699 18230 7518 1 16 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.358 -0.432 18230 7519 1 16 . 1 1 57 57 VAL CB C 57 31.147 31.147 32.044 -0.897 18230 7520 1 16 . 1 1 57 57 VAL H H 57 7.928 7.928 8.220 -0.292 18230 7521 1 16 . 1 1 58 58 MET N N 58 118.736 118.736 118.332 0.404 18230 7522 1 16 . 1 1 58 58 MET HA H 58 3.928 3.928 4.247 -0.319 18230 7523 1 16 . 1 1 58 58 MET C C 58 177.021 177.021 177.702 -0.681 18230 7524 1 16 . 1 1 58 58 MET CA C 58 58.534 58.534 58.608 -0.074 18230 7525 1 16 . 1 1 58 58 MET CB C 58 32.065 32.065 32.226 -0.161 18230 7526 1 16 . 1 1 58 58 MET H H 58 8.443 8.443 8.347 0.096 18230 7527 1 16 . 1 1 59 59 LYS N N 59 116.214 116.214 118.786 -2.572 18230 7528 1 16 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.971 -0.003 18230 7529 1 16 . 1 1 59 59 LYS C C 59 178.893 178.893 178.610 0.283 18230 7530 1 16 . 1 1 59 59 LYS CA C 59 58.866 58.866 58.948 -0.082 18230 7531 1 16 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.715 0.350 18230 7532 1 16 . 1 1 59 59 LYS H H 59 7.629 7.629 8.230 -0.601 18230 7533 1 16 . 1 1 60 60 GLU N N 60 117.288 117.288 116.924 0.364 18230 7534 1 16 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.156 -0.121 18230 7535 1 16 . 1 1 60 60 GLU C C 60 178.173 178.173 178.345 -0.172 18230 7536 1 16 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.370 -0.141 18230 7537 1 16 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.525 0.281 18230 7538 1 16 . 1 1 60 60 GLU H H 60 7.599 7.599 7.537 0.062 18230 7539 1 16 . 1 1 61 61 LEU N N 61 116.163 116.163 118.867 -2.704 18230 7540 1 16 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.180 0.190 18230 7541 1 16 . 1 1 61 61 LEU C C 61 178.893 178.893 178.159 0.734 18230 7542 1 16 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.375 -1.136 18230 7543 1 16 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.191 1.750 18230 7544 1 16 . 1 1 61 61 LEU H H 61 8.060 8.060 7.188 0.872 18230 7545 1 16 . 1 1 62 62 ASP N N 62 116.934 116.934 118.623 -1.689 18230 7546 1 16 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.929 -0.263 18230 7547 1 16 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.762 -0.517 18230 7548 1 16 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.488 -0.479 18230 7549 1 16 . 1 1 62 62 ASP H H 62 8.012 8.012 8.047 -0.035 18230 7550 1 16 . 1 1 63 63 GLU N N 63 129.388 129.388 124.603 4.785 18230 7551 1 16 . 1 1 63 63 GLU HA H 63 4.022 4.022 3.993 0.029 18230 7552 1 16 . 1 1 63 63 GLU C C 63 177.519 177.519 177.876 -0.357 18230 7553 1 16 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.747 -0.075 18230 7554 1 16 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.903 0.604 18230 7555 1 16 . 1 1 63 63 GLU H H 63 8.356 8.356 8.657 -0.301 18230 7556 1 16 . 1 1 64 64 ASN N N 64 112.751 112.751 116.607 -3.856 18230 7557 1 16 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.511 0.222 18230 7558 1 16 . 1 1 64 64 ASN C C 64 176.498 176.498 176.306 0.192 18230 7559 1 16 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.282 -2.393 18230 7560 1 16 . 1 1 64 64 ASN CB C 64 37.172 37.172 39.184 -2.012 18230 7561 1 16 . 1 1 64 64 ASN H H 64 7.997 7.997 7.815 0.182 18230 7562 1 16 . 1 1 65 65 GLY N N 65 109.265 109.265 107.884 1.381 18230 7563 1 16 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.420 1.983 18230 7564 1 16 . 1 1 65 65 GLY H H 65 7.552 7.552 8.403 -0.851 18230 7565 1 16 . 1 1 66 66 ASP N N 66 119.331 119.331 120.984 -1.653 18230 7566 1 16 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.594 -0.062 18230 7567 1 16 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.929 0.261 18230 7568 1 16 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.796 -0.553 18230 7569 1 16 . 1 1 66 66 ASP H H 66 8.124 8.124 8.154 -0.030 18230 7570 1 16 . 1 1 67 67 GLY N N 67 113.348 113.348 108.768 4.580 18230 7571 1 16 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.617 -0.013 18230 7572 1 16 . 1 1 67 67 GLY H H 67 10.285 10.285 9.185 1.100 18230 7573 1 16 . 1 1 68 68 GLU N N 68 117.060 117.060 118.592 -1.532 18230 7574 1 16 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.863 -0.062 18230 7575 1 16 . 1 1 68 68 GLU C C 68 175.176 175.176 174.975 0.201 18230 7576 1 16 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.676 -0.166 18230 7577 1 16 . 1 1 68 68 GLU CB C 68 36.223 36.223 33.318 2.905 18230 7578 1 16 . 1 1 68 68 GLU H H 68 7.732 7.732 8.761 -1.029 18230 7579 1 16 . 1 1 69 69 VAL N N 69 125.264 125.264 121.447 3.817 18230 7580 1 16 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.717 0.523 18230 7581 1 16 . 1 1 69 69 VAL C C 69 175.961 175.961 174.752 1.209 18230 7582 1 16 . 1 1 69 69 VAL CA C 69 61.144 61.144 61.060 0.084 18230 7583 1 16 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.696 -0.011 18230 7584 1 16 . 1 1 69 69 VAL H H 69 9.392 9.392 8.835 0.557 18230 7585 1 16 . 1 1 70 70 ASP N N 70 129.378 129.378 125.356 4.022 18230 7586 1 16 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.945 0.216 18230 7587 1 16 . 1 1 70 70 ASP C C 70 175.032 175.032 176.489 -1.457 18230 7588 1 16 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.293 0.122 18230 7589 1 16 . 1 1 70 70 ASP CB C 70 41.839 41.839 42.480 -0.641 18230 7590 1 16 . 1 1 70 70 ASP H H 70 9.112 9.112 8.790 0.322 18230 7591 1 16 . 1 1 71 71 PHE N N 71 118.452 118.452 120.980 -2.528 18230 7592 1 16 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.116 -0.203 18230 7593 1 16 . 1 1 71 71 PHE C C 71 176.576 176.576 176.811 -0.235 18230 7594 1 16 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.604 2.830 18230 7595 1 16 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.970 0.261 18230 7596 1 16 . 1 1 71 71 PHE H H 71 8.948 8.948 8.989 -0.041 18230 7597 1 16 . 1 1 72 72 GLN N N 72 116.934 116.934 118.378 -1.444 18230 7598 1 16 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.841 -0.153 18230 7599 1 16 . 1 1 72 72 GLN C C 72 178.056 178.056 178.335 -0.279 18230 7600 1 16 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.407 0.186 18230 7601 1 16 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.148 0.016 18230 7602 1 16 . 1 1 72 72 GLN H H 72 8.012 8.012 8.392 -0.380 18230 7603 1 16 . 1 1 73 73 GLU N N 73 120.208 120.208 120.729 -0.521 18230 7604 1 16 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.040 0.026 18230 7605 1 16 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.687 -1.181 18230 7606 1 16 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.792 0.325 18230 7607 1 16 . 1 1 73 73 GLU H H 73 8.308 8.308 9.760 -1.452 18230 7608 1 16 . 1 1 74 74 TYR N N 74 121.623 121.623 121.713 -0.090 18230 7609 1 16 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.255 -0.166 18230 7610 1 16 . 1 1 74 74 TYR C C 74 176.485 176.485 177.659 -1.174 18230 7611 1 16 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.688 -2.213 18230 7612 1 16 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.874 -0.868 18230 7613 1 16 . 1 1 74 74 TYR H H 74 8.339 8.339 8.642 -0.303 18230 7614 1 16 . 1 1 75 75 VAL N N 75 120.827 120.827 119.941 0.886 18230 7615 1 16 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.744 -0.870 18230 7616 1 16 . 1 1 75 75 VAL C C 75 176.563 176.563 177.988 -1.425 18230 7617 1 16 . 1 1 75 75 VAL CA C 75 66.354 66.354 67.014 -0.660 18230 7618 1 16 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.561 -0.910 18230 7619 1 16 . 1 1 75 75 VAL H H 75 8.088 8.088 8.492 -0.404 18230 7620 1 16 . 1 1 76 76 VAL N N 76 120.216 120.216 118.301 1.915 18230 7621 1 16 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.751 -0.336 18230 7622 1 16 . 1 1 76 76 VAL C C 76 178.645 178.645 177.964 0.681 18230 7623 1 16 . 1 1 76 76 VAL CA C 76 66.858 66.858 65.893 0.965 18230 7624 1 16 . 1 1 76 76 VAL CB C 76 31.300 31.300 30.371 0.929 18230 7625 1 16 . 1 1 76 76 VAL H H 76 7.132 7.132 8.048 -0.916 18230 7626 1 16 . 1 1 77 77 LEU N N 77 120.900 120.900 122.254 -1.354 18230 7627 1 16 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.917 0.111 18230 7628 1 16 . 1 1 77 77 LEU C C 77 177.362 177.362 178.330 -0.968 18230 7629 1 16 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.298 -0.624 18230 7630 1 16 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.543 -0.988 18230 7631 1 16 . 1 1 77 77 LEU H H 77 6.860 6.860 7.899 -1.039 18230 7632 1 16 . 1 1 78 78 VAL N N 78 116.991 116.991 115.731 1.260 18230 7633 1 16 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.500 -0.377 18230 7634 1 16 . 1 1 78 78 VAL C C 78 179.142 179.142 177.910 1.232 18230 7635 1 16 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.878 0.950 18230 7636 1 16 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.464 0.837 18230 7637 1 16 . 1 1 78 78 VAL H H 78 7.519 7.519 7.988 -0.469 18230 7638 1 16 . 1 1 79 79 ALA N N 79 124.679 124.679 123.787 0.892 18230 7639 1 16 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.003 -0.316 18230 7640 1 16 . 1 1 79 79 ALA C C 79 178.213 178.213 179.072 -0.859 18230 7641 1 16 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.968 1.040 18230 7642 1 16 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.328 -0.512 18230 7643 1 16 . 1 1 79 79 ALA H H 79 8.964 8.964 8.225 0.739 18230 7644 1 16 . 1 1 80 80 ALA N N 80 120.376 120.376 121.472 -1.096 18230 7645 1 16 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.083 -0.049 18230 7646 1 16 . 1 1 80 80 ALA C C 80 181.852 181.852 179.628 2.224 18230 7647 1 16 . 1 1 80 80 ALA CA C 80 55.283 55.283 55.000 0.283 18230 7648 1 16 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.343 -0.544 18230 7649 1 16 . 1 1 80 80 ALA H H 80 7.794 7.794 8.413 -0.619 18230 7650 1 16 . 1 1 81 81 LEU N N 81 119.275 119.275 118.576 0.699 18230 7651 1 16 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.034 0.006 18230 7652 1 16 . 1 1 81 81 LEU C C 81 179.168 179.168 179.351 -0.183 18230 7653 1 16 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.847 -0.502 18230 7654 1 16 . 1 1 81 81 LEU CB C 81 41.645 41.645 40.957 0.688 18230 7655 1 16 . 1 1 81 81 LEU H H 81 8.494 8.494 8.259 0.235 18230 7656 1 16 . 1 1 82 82 THR N N 82 119.781 119.781 116.563 3.218 18230 7657 1 16 . 1 1 82 82 THR HA H 82 3.800 3.800 3.875 -0.075 18230 7658 1 16 . 1 1 82 82 THR CA C 82 68.473 68.473 67.584 0.889 18230 7659 1 16 . 1 1 82 82 THR CB C 82 67.796 67.796 68.623 -0.827 18230 7660 1 16 . 1 1 82 82 THR H H 82 8.418 8.418 7.899 0.519 18230 7661 1 16 . 1 1 83 83 VAL N N 83 122.419 122.419 121.724 0.695 18230 7662 1 16 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.725 -0.023 18230 7663 1 16 . 1 1 83 83 VAL C C 83 177.781 177.781 176.951 0.830 18230 7664 1 16 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.956 1.355 18230 7665 1 16 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.539 0.136 18230 7666 1 16 . 1 1 83 83 VAL H H 83 8.164 8.164 8.237 -0.073 18230 7667 1 16 . 1 1 84 84 ALA N N 84 121.470 121.470 121.476 -0.006 18230 7668 1 16 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.044 0.104 18230 7669 1 16 . 1 1 84 84 ALA C C 84 180.032 180.032 178.873 1.159 18230 7670 1 16 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.308 -0.203 18230 7671 1 16 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.955 -0.157 18230 7672 1 16 . 1 1 84 84 ALA H H 84 7.877 7.877 8.373 -0.496 18230 7673 1 16 . 1 1 85 85 CYS N N 85 117.473 117.473 118.987 -1.514 18230 7674 1 16 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.335 0.089 18230 7675 1 16 . 1 1 85 85 CYS C C 85 176.092 176.092 176.886 -0.794 18230 7676 1 16 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.077 -5.097 18230 7677 1 16 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.038 14.518 18230 7678 1 16 . 1 1 85 85 CYS H H 85 8.370 8.370 8.343 0.027 18230 7679 1 16 . 1 1 86 86 ASN N N 86 119.886 119.886 118.686 1.200 18230 7680 1 16 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.529 -0.293 18230 7681 1 16 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.823 0.437 18230 7682 1 16 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.475 1.203 18230 7683 1 16 . 1 1 87 87 ASN N N 87 117.136 117.136 118.731 -1.595 18230 7684 1 16 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.537 -0.137 18230 7685 1 16 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.189 -1.157 18230 7686 1 16 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.198 -0.369 18230 7687 1 16 . 1 1 87 87 ASN H H 87 8.136 8.136 8.374 -0.238 18230 7688 1 16 . 1 1 88 88 PHE N N 88 119.001 119.001 121.833 -2.832 18230 7689 1 16 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.343 -0.053 18230 7690 1 16 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.356 -1.659 18230 7691 1 16 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.265 -0.059 18230 7692 1 16 . 1 1 88 88 PHE H H 88 7.865 7.865 8.213 -0.348 18230 7693 1 16 . 1 1 89 89 PHE N N 89 118.050 118.050 118.882 -0.832 18230 7694 1 16 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.141 0.069 18230 7695 1 16 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.252 -1.752 18230 7696 1 16 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.463 0.024 18230 7697 1 16 . 1 1 89 89 PHE H H 89 7.924 7.924 8.335 -0.411 18230 7698 1 16 . 1 1 90 90 TRP N N 90 119.104 119.104 120.191 -1.087 18230 7699 1 16 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.433 0.043 18230 7700 1 16 . 1 1 90 90 TRP CA C 90 57.688 57.688 58.802 -1.114 18230 7701 1 16 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.530 -1.036 18230 7702 1 16 . 1 1 90 90 TRP H H 90 7.848 7.848 8.261 -0.413 18230 7703 1 16 . 1 1 91 91 GLU N N 91 120.457 120.457 117.126 3.331 18230 7704 1 16 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.554 -0.425 18230 7705 1 16 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.209 1.830 18230 7706 1 16 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.199 -1.166 18230 7707 1 16 . 1 1 91 91 GLU H H 91 7.816 7.816 8.059 -0.243 18230 7708 1 16 . 1 1 92 92 ASN N N 92 125.418 125.418 118.823 6.595 18230 7709 1 16 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.189 0.221 18230 7710 1 16 . 1 1 92 92 ASN CA C 92 54.731 54.731 55.453 -0.722 18230 7711 1 16 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.964 2.110 18230 7712 1 16 . 1 1 92 92 ASN H H 92 7.846 7.846 8.672 -0.826 18230 7713 1 17 . 1 1 2 2 SER HA H 2 4.757 4.757 4.685 0.072 18230 7714 1 17 . 1 1 2 2 SER CA C 2 57.482 57.482 56.638 0.844 18230 7715 1 17 . 1 1 2 2 SER CB C 2 64.893 64.893 65.180 -0.287 18230 7716 1 17 . 1 1 3 3 GLU N N 3 123.948 123.948 127.612 -3.664 18230 7717 1 17 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.069 0.056 18230 7718 1 17 . 1 1 3 3 GLU C C 3 179.443 179.443 178.111 1.332 18230 7719 1 17 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.241 1.059 18230 7720 1 17 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.685 -0.113 18230 7721 1 17 . 1 1 3 3 GLU H H 3 9.442 9.442 9.014 0.428 18230 7722 1 17 . 1 1 4 4 LEU N N 4 120.236 120.236 119.791 0.445 18230 7723 1 17 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.039 0.036 18230 7724 1 17 . 1 1 4 4 LEU CA C 4 58.091 58.091 58.010 0.081 18230 7725 1 17 . 1 1 4 4 LEU CB C 4 42.502 42.502 42.100 0.402 18230 7726 1 17 . 1 1 4 4 LEU H H 4 8.907 8.907 7.700 1.207 18230 7727 1 17 . 1 1 5 5 GLU N N 5 119.034 119.034 118.800 0.234 18230 7728 1 17 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.035 -0.067 18230 7729 1 17 . 1 1 5 5 GLU C C 5 179.234 179.234 178.882 0.352 18230 7730 1 17 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.439 0.701 18230 7731 1 17 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.277 0.139 18230 7732 1 17 . 1 1 5 5 GLU H H 5 8.296 8.296 8.247 0.049 18230 7733 1 17 . 1 1 6 6 THR N N 6 116.586 116.586 116.556 0.030 18230 7734 1 17 . 1 1 6 6 THR HA H 6 4.008 4.008 4.060 -0.052 18230 7735 1 17 . 1 1 6 6 THR CA C 6 66.397 66.397 66.306 0.091 18230 7736 1 17 . 1 1 6 6 THR CB C 6 68.595 68.595 68.638 -0.042 18230 7737 1 17 . 1 1 6 6 THR H H 6 8.282 8.282 8.249 0.033 18230 7738 1 17 . 1 1 7 7 ALA N N 7 126.275 126.275 124.719 1.556 18230 7739 1 17 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.110 0.073 18230 7740 1 17 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.039 0.573 18230 7741 1 17 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.258 -0.318 18230 7742 1 17 . 1 1 7 7 ALA H H 7 8.141 8.141 8.159 -0.018 18230 7743 1 17 . 1 1 8 8 MET N N 8 117.071 117.071 118.051 -0.980 18230 7744 1 17 . 1 1 8 8 MET HA H 8 3.834 3.834 3.999 -0.165 18230 7745 1 17 . 1 1 8 8 MET C C 8 177.846 177.846 178.813 -0.967 18230 7746 1 17 . 1 1 8 8 MET CA C 8 60.757 60.757 59.706 1.051 18230 7747 1 17 . 1 1 8 8 MET CB C 8 34.012 34.012 32.488 1.524 18230 7748 1 17 . 1 1 8 8 MET H H 8 8.269 8.269 8.242 0.027 18230 7749 1 17 . 1 1 9 9 GLU N N 9 117.667 117.667 118.745 -1.078 18230 7750 1 17 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.080 -0.152 18230 7751 1 17 . 1 1 9 9 GLU C C 9 178.933 178.933 179.077 -0.144 18230 7752 1 17 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.752 0.111 18230 7753 1 17 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.467 -0.206 18230 7754 1 17 . 1 1 9 9 GLU H H 9 8.105 8.105 8.459 -0.354 18230 7755 1 17 . 1 1 10 10 THR N N 10 118.326 118.326 118.013 0.313 18230 7756 1 17 . 1 1 10 10 THR HA H 10 4.075 4.075 4.092 -0.017 18230 7757 1 17 . 1 1 10 10 THR CA C 10 67.311 67.311 67.202 0.109 18230 7758 1 17 . 1 1 10 10 THR CB C 10 67.934 67.934 68.404 -0.470 18230 7759 1 17 . 1 1 10 10 THR H H 10 8.407 8.407 8.237 0.170 18230 7760 1 17 . 1 1 11 11 LEU N N 11 119.765 119.765 121.759 -1.994 18230 7761 1 17 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.059 -0.131 18230 7762 1 17 . 1 1 11 11 LEU C C 11 180.896 180.896 178.961 1.935 18230 7763 1 17 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.410 0.871 18230 7764 1 17 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.347 0.253 18230 7765 1 17 . 1 1 11 11 LEU H H 11 8.131 8.131 8.282 -0.151 18230 7766 1 17 . 1 1 12 12 ILE N N 12 119.540 119.540 120.371 -0.831 18230 7767 1 17 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.839 0.116 18230 7768 1 17 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.835 -0.103 18230 7769 1 17 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.676 1.710 18230 7770 1 17 . 1 1 12 12 ILE H H 12 7.715 7.715 8.552 -0.837 18230 7771 1 17 . 1 1 13 13 ASN N N 13 121.587 121.587 118.642 2.945 18230 7772 1 17 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.535 -0.004 18230 7773 1 17 . 1 1 13 13 ASN C C 13 178.867 178.867 178.226 0.641 18230 7774 1 17 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.256 0.173 18230 7775 1 17 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.316 -0.254 18230 7776 1 17 . 1 1 13 13 ASN H H 13 9.040 9.040 8.523 0.517 18230 7777 1 17 . 1 1 14 14 VAL N N 14 120.603 120.603 117.771 2.832 18230 7778 1 17 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.821 -0.014 18230 7779 1 17 . 1 1 14 14 VAL C C 14 177.113 177.113 177.280 -0.167 18230 7780 1 17 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.417 0.091 18230 7781 1 17 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.459 0.138 18230 7782 1 17 . 1 1 14 14 VAL H H 14 8.954 8.954 8.198 0.756 18230 7783 1 17 . 1 1 15 15 PHE N N 15 117.585 117.585 121.562 -3.977 18230 7784 1 17 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.587 -0.128 18230 7785 1 17 . 1 1 15 15 PHE C C 15 177.257 177.257 176.591 0.666 18230 7786 1 17 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.890 0.686 18230 7787 1 17 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.576 0.476 18230 7788 1 17 . 1 1 15 15 PHE H H 15 6.956 6.956 8.352 -1.396 18230 7789 1 17 . 1 1 16 16 HIS N N 16 115.204 115.204 118.854 -3.650 18230 7790 1 17 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.751 1.088 18230 7791 1 17 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.478 -1.000 18230 7792 1 17 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.526 -0.606 18230 7793 1 17 . 1 1 16 16 HIS H H 16 7.736 7.736 8.445 -0.709 18230 7794 1 17 . 1 1 17 17 ALA N N 17 123.201 123.201 121.727 1.474 18230 7795 1 17 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.809 0.227 18230 7796 1 17 . 1 1 17 17 ALA C C 17 178.867 178.867 180.009 -1.142 18230 7797 1 17 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.890 -0.745 18230 7798 1 17 . 1 1 17 17 ALA CB C 17 17.661 17.661 17.930 -0.269 18230 7799 1 17 . 1 1 17 17 ALA H H 17 8.066 8.066 7.930 0.136 18230 7800 1 17 . 1 1 18 18 HIS N N 18 113.974 113.974 117.206 -3.232 18230 7801 1 17 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.194 0.178 18230 7802 1 17 . 1 1 18 18 HIS C C 18 175.568 175.568 177.403 -1.835 18230 7803 1 17 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.382 -1.968 18230 7804 1 17 . 1 1 18 18 HIS CB C 18 32.753 32.753 30.093 2.660 18230 7805 1 17 . 1 1 18 18 HIS H H 18 7.047 7.047 8.190 -1.143 18230 7806 1 17 . 1 1 19 19 SER N N 19 113.745 113.745 115.278 -1.533 18230 7807 1 17 . 1 1 19 19 SER HA H 19 3.658 3.658 3.860 -0.202 18230 7808 1 17 . 1 1 19 19 SER CA C 19 61.247 61.247 61.077 0.170 18230 7809 1 17 . 1 1 19 19 SER CB C 19 61.323 61.323 62.252 -0.928 18230 7810 1 17 . 1 1 19 19 SER H H 19 8.470 8.470 8.067 0.403 18230 7811 1 17 . 1 1 20 20 GLY N N 20 111.711 111.711 108.235 3.476 18230 7812 1 17 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.500 -0.118 18230 7813 1 17 . 1 1 20 20 GLY H H 20 7.739 7.739 7.505 0.234 18230 7814 1 17 . 1 1 21 21 LYS N N 21 122.328 122.328 120.876 1.452 18230 7815 1 17 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.864 0.050 18230 7816 1 17 . 1 1 21 21 LYS C C 21 177.192 177.192 176.846 0.346 18230 7817 1 17 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.105 1.232 18230 7818 1 17 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.617 0.071 18230 7819 1 17 . 1 1 21 21 LYS H H 21 7.200 7.200 7.445 -0.245 18230 7820 1 17 . 1 1 22 22 GLU N N 22 115.975 115.975 117.888 -1.913 18230 7821 1 17 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.307 0.350 18230 7822 1 17 . 1 1 22 22 GLU C C 22 175.882 175.882 175.600 0.282 18230 7823 1 17 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.156 -1.052 18230 7824 1 17 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.038 0.965 18230 7825 1 17 . 1 1 22 22 GLU H H 22 9.369 9.369 7.658 1.711 18230 7826 1 17 . 1 1 23 23 GLY CA C 23 45.836 45.836 44.926 0.910 18230 7827 1 17 . 1 1 25 25 LYS HA H 25 4.276 4.276 4.382 -0.106 18230 7828 1 17 . 1 1 25 25 LYS CA C 25 57.980 57.980 56.305 1.675 18230 7829 1 17 . 1 1 25 25 LYS CB C 25 31.208 31.208 33.152 -1.944 18230 7830 1 17 . 1 1 26 26 TYR N N 26 119.825 119.825 112.754 7.071 18230 7831 1 17 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.293 0.412 18230 7832 1 17 . 1 1 26 26 TYR C C 26 173.696 173.696 174.617 -0.921 18230 7833 1 17 . 1 1 26 26 TYR CA C 26 56.180 56.180 59.890 -3.710 18230 7834 1 17 . 1 1 26 26 TYR CB C 26 38.049 38.049 36.762 1.287 18230 7835 1 17 . 1 1 26 26 TYR H H 26 9.414 9.414 8.397 1.017 18230 7836 1 17 . 1 1 27 27 LYS N N 27 114.922 114.922 118.671 -3.749 18230 7837 1 17 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.968 0.152 18230 7838 1 17 . 1 1 27 27 LYS C C 27 174.678 174.678 174.242 0.436 18230 7839 1 17 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.926 0.064 18230 7840 1 17 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.376 2.465 18230 7841 1 17 . 1 1 27 27 LYS H H 27 7.107 7.107 7.741 -0.634 18230 7842 1 17 . 1 1 28 28 LEU N N 28 125.976 125.976 128.729 -2.753 18230 7843 1 17 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.906 0.278 18230 7844 1 17 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.645 0.130 18230 7845 1 17 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.806 -2.768 18230 7846 1 17 . 1 1 28 28 LEU H H 28 9.757 9.757 9.330 0.427 18230 7847 1 17 . 1 1 29 29 SER N N 29 121.025 121.025 121.575 -0.550 18230 7848 1 17 . 1 1 29 29 SER HA H 29 4.558 4.558 5.360 -0.802 18230 7849 1 17 . 1 1 29 29 SER C C 29 174.338 174.338 175.762 -1.424 18230 7850 1 17 . 1 1 29 29 SER CA C 29 56.208 56.208 56.733 -0.525 18230 7851 1 17 . 1 1 29 29 SER CB C 29 65.480 65.480 65.610 -0.130 18230 7852 1 17 . 1 1 29 29 SER H H 29 9.908 9.908 8.286 1.622 18230 7853 1 17 . 1 1 30 30 LYS N N 30 120.385 120.385 122.913 -2.528 18230 7854 1 17 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.891 -0.044 18230 7855 1 17 . 1 1 30 30 LYS C C 30 177.859 177.859 178.721 -0.862 18230 7856 1 17 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.841 0.461 18230 7857 1 17 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.464 -0.453 18230 7858 1 17 . 1 1 30 30 LYS H H 30 8.845 8.845 8.874 -0.029 18230 7859 1 17 . 1 1 31 31 LYS N N 31 118.358 118.358 117.003 1.355 18230 7860 1 17 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.052 -0.151 18230 7861 1 17 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.155 0.458 18230 7862 1 17 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.835 1.164 18230 7863 1 17 . 1 1 31 31 LYS H H 31 7.924 7.924 8.303 -0.379 18230 7864 1 17 . 1 1 32 32 GLU N N 32 119.355 119.355 120.387 -1.032 18230 7865 1 17 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.095 -0.194 18230 7866 1 17 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.108 -0.271 18230 7867 1 17 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.723 0.940 18230 7868 1 17 . 1 1 32 32 GLU H H 32 7.502 7.502 7.538 -0.036 18230 7869 1 17 . 1 1 33 33 LEU N N 33 119.533 119.533 117.474 2.059 18230 7870 1 17 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.084 -0.176 18230 7871 1 17 . 1 1 33 33 LEU C C 33 177.571 177.571 178.698 -1.127 18230 7872 1 17 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.408 -0.633 18230 7873 1 17 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.081 0.408 18230 7874 1 17 . 1 1 33 33 LEU H H 33 9.076 9.076 8.679 0.397 18230 7875 1 17 . 1 1 34 34 LYS N N 34 119.251 119.251 119.458 -0.207 18230 7876 1 17 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.910 -0.264 18230 7877 1 17 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.419 1.164 18230 7878 1 17 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.961 0.104 18230 7879 1 17 . 1 1 34 34 LYS H H 34 8.262 8.262 8.347 -0.085 18230 7880 1 17 . 1 1 35 35 GLU N N 35 117.642 117.642 119.682 -2.040 18230 7881 1 17 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.114 -0.119 18230 7882 1 17 . 1 1 35 35 GLU C C 35 178.776 178.776 178.878 -0.102 18230 7883 1 17 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.120 0.466 18230 7884 1 17 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.812 -0.863 18230 7885 1 17 . 1 1 35 35 GLU H H 35 7.742 7.742 7.808 -0.066 18230 7886 1 17 . 1 1 36 36 LEU N N 36 124.753 124.753 122.344 2.409 18230 7887 1 17 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.061 -0.365 18230 7888 1 17 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.235 2.462 18230 7889 1 17 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.757 0.211 18230 7890 1 17 . 1 1 36 36 LEU H H 36 8.304 8.304 8.144 0.160 18230 7891 1 17 . 1 1 37 37 LEU N N 37 119.058 119.058 118.068 0.990 18230 7892 1 17 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.976 -0.249 18230 7893 1 17 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.075 0.237 18230 7894 1 17 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.949 0.851 18230 7895 1 17 . 1 1 37 37 LEU H H 37 8.684 8.684 8.379 0.305 18230 7896 1 17 . 1 1 38 38 GLN N N 38 114.728 114.728 116.513 -1.785 18230 7897 1 17 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.198 -0.257 18230 7898 1 17 . 1 1 38 38 GLN C C 38 177.584 177.584 178.063 -0.479 18230 7899 1 17 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.601 -0.123 18230 7900 1 17 . 1 1 38 38 GLN CB C 38 29.027 29.027 29.069 -0.042 18230 7901 1 17 . 1 1 38 38 GLN H H 38 8.510 8.510 7.627 0.883 18230 7902 1 17 . 1 1 39 39 THR N N 39 110.419 110.419 109.358 1.061 18230 7903 1 17 . 1 1 39 39 THR HA H 39 4.238 4.238 4.173 0.065 18230 7904 1 17 . 1 1 39 39 THR C C 39 176.341 176.341 176.196 0.145 18230 7905 1 17 . 1 1 39 39 THR CA C 39 64.874 64.874 64.411 0.463 18230 7906 1 17 . 1 1 39 39 THR CB C 39 69.919 69.919 69.291 0.628 18230 7907 1 17 . 1 1 39 39 THR H H 39 7.863 7.863 7.963 -0.100 18230 7908 1 17 . 1 1 40 40 GLU N N 40 117.514 117.514 120.154 -2.640 18230 7909 1 17 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.481 0.272 18230 7910 1 17 . 1 1 40 40 GLU C C 40 177.807 177.807 176.624 1.183 18230 7911 1 17 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.010 -0.528 18230 7912 1 17 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.113 0.676 18230 7913 1 17 . 1 1 40 40 GLU H H 40 8.468 8.468 8.102 0.366 18230 7914 1 17 . 1 1 41 41 LEU N N 41 121.141 121.141 121.035 0.106 18230 7915 1 17 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.673 0.340 18230 7916 1 17 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.161 -1.331 18230 7917 1 17 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.016 0.607 18230 7918 1 17 . 1 1 41 41 LEU H H 41 7.682 7.682 8.254 -0.572 18230 7919 1 17 . 1 1 42 42 SER N N 42 116.557 116.557 117.865 -1.308 18230 7920 1 17 . 1 1 42 42 SER HA H 42 4.055 4.055 4.426 -0.371 18230 7921 1 17 . 1 1 42 42 SER C C 42 176.537 176.537 176.535 0.002 18230 7922 1 17 . 1 1 42 42 SER CA C 42 61.552 61.552 60.070 1.482 18230 7923 1 17 . 1 1 42 42 SER CB C 42 62.783 62.783 63.831 -1.048 18230 7924 1 17 . 1 1 42 42 SER H H 42 8.186 8.186 8.863 -0.677 18230 7925 1 17 . 1 1 43 43 GLY N N 43 111.517 111.517 110.917 0.600 18230 7926 1 17 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.948 -0.901 18230 7927 1 17 . 1 1 43 43 GLY H H 43 8.880 8.880 8.830 0.050 18230 7928 1 17 . 1 1 44 44 PHE N N 44 122.405 122.405 119.235 3.170 18230 7929 1 17 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.229 0.128 18230 7930 1 17 . 1 1 44 44 PHE C C 44 176.851 176.851 177.331 -0.480 18230 7931 1 17 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.059 -1.224 18230 7932 1 17 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.650 0.970 18230 7933 1 17 . 1 1 44 44 PHE H H 44 7.972 7.972 8.092 -0.120 18230 7934 1 17 . 1 1 45 45 LEU N N 45 119.444 119.444 118.385 1.059 18230 7935 1 17 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.185 -0.256 18230 7936 1 17 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.716 -0.453 18230 7937 1 17 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.406 0.551 18230 7938 1 17 . 1 1 45 45 LEU H H 45 8.148 8.148 7.725 0.423 18230 7939 1 17 . 1 1 46 46 ASP N N 46 120.023 120.023 120.241 -0.218 18230 7940 1 17 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.341 0.035 18230 7941 1 17 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.543 -0.861 18230 7942 1 17 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.835 -0.047 18230 7943 1 17 . 1 1 46 46 ASP H H 46 8.307 8.307 8.526 -0.219 18230 7944 1 17 . 1 1 47 47 ALA N N 47 121.156 121.156 120.298 0.858 18230 7945 1 17 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.088 0.068 18230 7946 1 17 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.868 -0.955 18230 7947 1 17 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.881 -0.227 18230 7948 1 17 . 1 1 47 47 ALA H H 47 7.606 7.606 7.463 0.143 18230 7949 1 17 . 1 1 48 48 GLN N N 48 116.408 116.408 118.017 -1.609 18230 7950 1 17 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.460 -0.324 18230 7951 1 17 . 1 1 48 48 GLN C C 48 175.882 175.882 175.788 0.094 18230 7952 1 17 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.613 0.749 18230 7953 1 17 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.722 -0.240 18230 7954 1 17 . 1 1 48 48 GLN H H 48 7.665 7.665 7.579 0.086 18230 7955 1 17 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.034 0.095 18230 7956 1 17 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.873 -1.167 18230 7957 1 17 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.697 -0.399 18230 7958 1 17 . 1 1 50 50 ASP N N 50 118.824 118.824 119.570 -0.746 18230 7959 1 17 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.647 -0.099 18230 7960 1 17 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.239 -0.274 18230 7961 1 17 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.430 0.605 18230 7962 1 17 . 1 1 50 50 ASP H H 50 7.982 7.982 7.994 -0.012 18230 7963 1 17 . 1 1 51 51 VAL N N 51 121.055 121.055 120.627 0.428 18230 7964 1 17 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.856 0.095 18230 7965 1 17 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.819 -1.163 18230 7966 1 17 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.831 0.169 18230 7967 1 17 . 1 1 51 51 VAL H H 51 8.231 8.231 8.453 -0.222 18230 7968 1 17 . 1 1 52 52 ASP N N 52 121.189 121.189 121.516 -0.327 18230 7969 1 17 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.443 0.316 18230 7970 1 17 . 1 1 52 52 ASP C C 52 176.367 176.367 177.987 -1.620 18230 7971 1 17 . 1 1 52 52 ASP CA C 52 53.716 53.716 57.196 -3.480 18230 7972 1 17 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.468 0.931 18230 7973 1 17 . 1 1 52 52 ASP H H 52 8.410 8.410 8.797 -0.387 18230 7974 1 17 . 1 1 53 53 ALA N N 53 123.582 123.582 122.849 0.733 18230 7975 1 17 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.012 -0.080 18230 7976 1 17 . 1 1 53 53 ALA C C 53 179.208 179.208 178.960 0.248 18230 7977 1 17 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.072 0.195 18230 7978 1 17 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.384 0.773 18230 7979 1 17 . 1 1 53 53 ALA H H 53 7.755 7.755 7.386 0.369 18230 7980 1 17 . 1 1 54 54 VAL N N 54 116.235 116.235 118.088 -1.853 18230 7981 1 17 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.661 -0.206 18230 7982 1 17 . 1 1 54 54 VAL C C 54 176.432 176.432 176.625 -0.193 18230 7983 1 17 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.230 0.015 18230 7984 1 17 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.650 -0.886 18230 7985 1 17 . 1 1 54 54 VAL H H 54 8.300 8.300 7.769 0.531 18230 7986 1 17 . 1 1 55 55 ASP N N 55 120.594 120.594 119.843 0.751 18230 7987 1 17 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.372 -0.217 18230 7988 1 17 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.321 0.263 18230 7989 1 17 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.460 0.370 18230 7990 1 17 . 1 1 55 55 ASP H H 55 7.684 7.684 7.903 -0.219 18230 7991 1 17 . 1 1 56 56 LYS N N 56 119.178 119.178 119.443 -0.265 18230 7992 1 17 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.033 -0.105 18230 7993 1 17 . 1 1 56 56 LYS C C 56 178.697 178.697 179.373 -0.676 18230 7994 1 17 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.526 -0.023 18230 7995 1 17 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.587 -0.297 18230 7996 1 17 . 1 1 56 56 LYS H H 56 7.638 7.638 7.934 -0.296 18230 7997 1 17 . 1 1 57 57 VAL N N 57 119.870 119.870 119.312 0.558 18230 7998 1 17 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.674 0.050 18230 7999 1 17 . 1 1 57 57 VAL C C 57 177.558 177.558 178.224 -0.666 18230 8000 1 17 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.504 -0.578 18230 8001 1 17 . 1 1 57 57 VAL CB C 57 31.147 31.147 32.050 -0.903 18230 8002 1 17 . 1 1 57 57 VAL H H 57 7.928 7.928 8.213 -0.285 18230 8003 1 17 . 1 1 58 58 MET N N 58 118.736 118.736 118.700 0.036 18230 8004 1 17 . 1 1 58 58 MET HA H 58 3.928 3.928 4.220 -0.292 18230 8005 1 17 . 1 1 58 58 MET C C 58 177.021 177.021 177.623 -0.602 18230 8006 1 17 . 1 1 58 58 MET CA C 58 58.534 58.534 58.513 0.021 18230 8007 1 17 . 1 1 58 58 MET CB C 58 32.065 32.065 31.982 0.083 18230 8008 1 17 . 1 1 58 58 MET H H 58 8.443 8.443 8.362 0.081 18230 8009 1 17 . 1 1 59 59 LYS N N 59 116.214 116.214 118.543 -2.329 18230 8010 1 17 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.958 0.010 18230 8011 1 17 . 1 1 59 59 LYS C C 59 178.893 178.893 178.353 0.540 18230 8012 1 17 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.751 -0.885 18230 8013 1 17 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.942 0.123 18230 8014 1 17 . 1 1 59 59 LYS H H 59 7.629 7.629 8.219 -0.590 18230 8015 1 17 . 1 1 60 60 GLU N N 60 117.288 117.288 117.903 -0.615 18230 8016 1 17 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.089 -0.054 18230 8017 1 17 . 1 1 60 60 GLU C C 60 178.173 178.173 178.484 -0.311 18230 8018 1 17 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.426 -0.197 18230 8019 1 17 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.883 -0.077 18230 8020 1 17 . 1 1 60 60 GLU H H 60 7.599 7.599 7.516 0.083 18230 8021 1 17 . 1 1 61 61 LEU N N 61 116.163 116.163 116.783 -0.620 18230 8022 1 17 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.155 0.215 18230 8023 1 17 . 1 1 61 61 LEU C C 61 178.893 178.893 177.916 0.977 18230 8024 1 17 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.410 -1.171 18230 8025 1 17 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.332 1.609 18230 8026 1 17 . 1 1 61 61 LEU H H 61 8.060 8.060 7.233 0.827 18230 8027 1 17 . 1 1 62 62 ASP N N 62 116.934 116.934 118.434 -1.500 18230 8028 1 17 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.832 -0.166 18230 8029 1 17 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.808 -0.563 18230 8030 1 17 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.856 -0.847 18230 8031 1 17 . 1 1 62 62 ASP H H 62 8.012 8.012 7.998 0.014 18230 8032 1 17 . 1 1 63 63 GLU N N 63 129.388 129.388 126.027 3.361 18230 8033 1 17 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.046 -0.024 18230 8034 1 17 . 1 1 63 63 GLU C C 63 177.519 177.519 177.947 -0.428 18230 8035 1 17 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.694 -0.022 18230 8036 1 17 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.973 0.534 18230 8037 1 17 . 1 1 63 63 GLU H H 63 8.356 8.356 8.577 -0.221 18230 8038 1 17 . 1 1 64 64 ASN N N 64 112.751 112.751 116.445 -3.694 18230 8039 1 17 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.532 0.201 18230 8040 1 17 . 1 1 64 64 ASN C C 64 176.498 176.498 176.216 0.282 18230 8041 1 17 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.547 -2.658 18230 8042 1 17 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.929 -1.757 18230 8043 1 17 . 1 1 64 64 ASN H H 64 7.997 7.997 7.933 0.064 18230 8044 1 17 . 1 1 65 65 GLY N N 65 109.265 109.265 106.833 2.432 18230 8045 1 17 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.601 1.802 18230 8046 1 17 . 1 1 65 65 GLY H H 65 7.552 7.552 8.177 -0.625 18230 8047 1 17 . 1 1 66 66 ASP N N 66 119.331 119.331 121.950 -2.619 18230 8048 1 17 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.479 0.053 18230 8049 1 17 . 1 1 66 66 ASP CA C 66 53.190 53.190 54.247 -1.057 18230 8050 1 17 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.894 -0.651 18230 8051 1 17 . 1 1 66 66 ASP H H 66 8.124 8.124 8.035 0.089 18230 8052 1 17 . 1 1 67 67 GLY N N 67 113.348 113.348 107.708 5.640 18230 8053 1 17 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.043 0.561 18230 8054 1 17 . 1 1 67 67 GLY H H 67 10.285 10.285 9.198 1.087 18230 8055 1 17 . 1 1 68 68 GLU N N 68 117.060 117.060 118.643 -1.583 18230 8056 1 17 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.826 -0.025 18230 8057 1 17 . 1 1 68 68 GLU C C 68 175.176 175.176 174.982 0.194 18230 8058 1 17 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.002 0.508 18230 8059 1 17 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.649 3.574 18230 8060 1 17 . 1 1 68 68 GLU H H 68 7.732 7.732 8.862 -1.130 18230 8061 1 17 . 1 1 69 69 VAL N N 69 125.264 125.264 120.456 4.808 18230 8062 1 17 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.735 0.505 18230 8063 1 17 . 1 1 69 69 VAL C C 69 175.961 175.961 175.487 0.474 18230 8064 1 17 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.806 0.338 18230 8065 1 17 . 1 1 69 69 VAL CB C 69 33.685 33.685 32.680 1.005 18230 8066 1 17 . 1 1 69 69 VAL H H 69 9.392 9.392 8.835 0.557 18230 8067 1 17 . 1 1 70 70 ASP N N 70 129.378 129.378 126.551 2.827 18230 8068 1 17 . 1 1 70 70 ASP HA H 70 5.161 5.161 5.067 0.094 18230 8069 1 17 . 1 1 70 70 ASP C C 70 175.032 175.032 176.992 -1.960 18230 8070 1 17 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.671 -0.256 18230 8071 1 17 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.688 -1.849 18230 8072 1 17 . 1 1 70 70 ASP H H 70 9.112 9.112 8.417 0.695 18230 8073 1 17 . 1 1 71 71 PHE N N 71 118.452 118.452 122.754 -4.302 18230 8074 1 17 . 1 1 71 71 PHE HA H 71 2.913 2.913 2.818 0.095 18230 8075 1 17 . 1 1 71 71 PHE C C 71 176.576 176.576 177.005 -0.429 18230 8076 1 17 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.243 3.191 18230 8077 1 17 . 1 1 71 71 PHE CB C 71 39.231 39.231 39.059 0.172 18230 8078 1 17 . 1 1 71 71 PHE H H 71 8.948 8.948 8.904 0.044 18230 8079 1 17 . 1 1 72 72 GLN N N 72 116.934 116.934 116.844 0.090 18230 8080 1 17 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.832 -0.144 18230 8081 1 17 . 1 1 72 72 GLN C C 72 178.056 178.056 178.226 -0.170 18230 8082 1 17 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.684 -0.090 18230 8083 1 17 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.330 -0.166 18230 8084 1 17 . 1 1 72 72 GLN H H 72 8.012 8.012 8.335 -0.323 18230 8085 1 17 . 1 1 73 73 GLU N N 73 120.208 120.208 120.621 -0.413 18230 8086 1 17 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.022 0.044 18230 8087 1 17 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.631 -1.125 18230 8088 1 17 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.461 0.656 18230 8089 1 17 . 1 1 73 73 GLU H H 73 8.308 8.308 8.217 0.091 18230 8090 1 17 . 1 1 74 74 TYR N N 74 121.623 121.623 121.533 0.090 18230 8091 1 17 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.185 -0.096 18230 8092 1 17 . 1 1 74 74 TYR C C 74 176.485 176.485 177.519 -1.034 18230 8093 1 17 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.744 -2.269 18230 8094 1 17 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.685 -0.679 18230 8095 1 17 . 1 1 74 74 TYR H H 74 8.339 8.339 8.562 -0.223 18230 8096 1 17 . 1 1 75 75 VAL N N 75 120.827 120.827 119.568 1.259 18230 8097 1 17 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.621 -0.747 18230 8098 1 17 . 1 1 75 75 VAL C C 75 176.563 176.563 177.657 -1.094 18230 8099 1 17 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.957 -0.603 18230 8100 1 17 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.969 -1.318 18230 8101 1 17 . 1 1 75 75 VAL H H 75 8.088 8.088 8.383 -0.295 18230 8102 1 17 . 1 1 76 76 VAL N N 76 120.216 120.216 118.480 1.736 18230 8103 1 17 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.720 -0.305 18230 8104 1 17 . 1 1 76 76 VAL C C 76 178.645 178.645 177.679 0.966 18230 8105 1 17 . 1 1 76 76 VAL CA C 76 66.858 66.858 65.707 1.151 18230 8106 1 17 . 1 1 76 76 VAL CB C 76 31.300 31.300 30.511 0.789 18230 8107 1 17 . 1 1 76 76 VAL H H 76 7.132 7.132 8.059 -0.927 18230 8108 1 17 . 1 1 77 77 LEU N N 77 120.900 120.900 122.174 -1.274 18230 8109 1 17 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.951 0.077 18230 8110 1 17 . 1 1 77 77 LEU C C 77 177.362 177.362 178.570 -1.208 18230 8111 1 17 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.209 -0.534 18230 8112 1 17 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.314 -0.759 18230 8113 1 17 . 1 1 77 77 LEU H H 77 6.860 6.860 7.953 -1.093 18230 8114 1 17 . 1 1 78 78 VAL N N 78 116.991 116.991 116.633 0.358 18230 8115 1 17 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.541 -0.418 18230 8116 1 17 . 1 1 78 78 VAL C C 78 179.142 179.142 177.762 1.380 18230 8117 1 17 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.035 1.793 18230 8118 1 17 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.196 1.105 18230 8119 1 17 . 1 1 78 78 VAL H H 78 7.519 7.519 7.907 -0.388 18230 8120 1 17 . 1 1 79 79 ALA N N 79 124.679 124.679 123.322 1.357 18230 8121 1 17 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.045 -0.358 18230 8122 1 17 . 1 1 79 79 ALA C C 79 178.213 178.213 179.006 -0.793 18230 8123 1 17 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.947 1.061 18230 8124 1 17 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.181 -0.364 18230 8125 1 17 . 1 1 79 79 ALA H H 79 8.964 8.964 8.153 0.811 18230 8126 1 17 . 1 1 80 80 ALA N N 80 120.376 120.376 121.506 -1.130 18230 8127 1 17 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.074 -0.040 18230 8128 1 17 . 1 1 80 80 ALA C C 80 181.852 181.852 179.660 2.192 18230 8129 1 17 . 1 1 80 80 ALA CA C 80 55.283 55.283 55.012 0.271 18230 8130 1 17 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.340 -0.540 18230 8131 1 17 . 1 1 80 80 ALA H H 80 7.794 7.794 8.370 -0.576 18230 8132 1 17 . 1 1 81 81 LEU N N 81 119.275 119.275 118.511 0.764 18230 8133 1 17 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.121 -0.081 18230 8134 1 17 . 1 1 81 81 LEU C C 81 179.168 179.168 179.372 -0.204 18230 8135 1 17 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.845 -0.500 18230 8136 1 17 . 1 1 81 81 LEU CB C 81 41.645 41.645 40.947 0.698 18230 8137 1 17 . 1 1 81 81 LEU H H 81 8.494 8.494 8.310 0.184 18230 8138 1 17 . 1 1 82 82 THR N N 82 119.781 119.781 116.440 3.341 18230 8139 1 17 . 1 1 82 82 THR HA H 82 3.800 3.800 3.952 -0.152 18230 8140 1 17 . 1 1 82 82 THR CA C 82 68.473 68.473 67.199 1.274 18230 8141 1 17 . 1 1 82 82 THR CB C 82 67.796 67.796 68.300 -0.504 18230 8142 1 17 . 1 1 82 82 THR H H 82 8.418 8.418 7.965 0.454 18230 8143 1 17 . 1 1 83 83 VAL N N 83 122.419 122.419 121.344 1.075 18230 8144 1 17 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.675 0.027 18230 8145 1 17 . 1 1 83 83 VAL C C 83 177.781 177.781 176.866 0.915 18230 8146 1 17 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.798 1.513 18230 8147 1 17 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.403 0.272 18230 8148 1 17 . 1 1 83 83 VAL H H 83 8.164 8.164 8.193 -0.029 18230 8149 1 17 . 1 1 84 84 ALA N N 84 121.470 121.470 121.910 -0.440 18230 8150 1 17 . 1 1 84 84 ALA HA H 84 4.148 4.148 3.895 0.253 18230 8151 1 17 . 1 1 84 84 ALA C C 84 180.032 180.032 179.281 0.751 18230 8152 1 17 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.184 -0.079 18230 8153 1 17 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.860 -0.062 18230 8154 1 17 . 1 1 84 84 ALA H H 84 7.877 7.877 8.364 -0.487 18230 8155 1 17 . 1 1 85 85 CYS N N 85 117.473 117.473 119.075 -1.602 18230 8156 1 17 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.516 -0.092 18230 8157 1 17 . 1 1 85 85 CYS C C 85 176.092 176.092 176.981 -0.889 18230 8158 1 17 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.334 -5.354 18230 8159 1 17 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.067 14.488 18230 8160 1 17 . 1 1 85 85 CYS H H 85 8.370 8.370 8.470 -0.100 18230 8161 1 17 . 1 1 86 86 ASN N N 86 119.886 119.886 118.626 1.260 18230 8162 1 17 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.563 -0.327 18230 8163 1 17 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.408 0.852 18230 8164 1 17 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.057 1.621 18230 8165 1 17 . 1 1 87 87 ASN N N 87 117.136 117.136 119.015 -1.879 18230 8166 1 17 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.464 -0.064 18230 8167 1 17 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.091 -1.059 18230 8168 1 17 . 1 1 87 87 ASN CB C 87 37.829 37.829 37.843 -0.014 18230 8169 1 17 . 1 1 87 87 ASN H H 87 8.136 8.136 8.330 -0.194 18230 8170 1 17 . 1 1 88 88 PHE N N 88 119.001 119.001 119.988 -0.987 18230 8171 1 17 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.414 -0.124 18230 8172 1 17 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.351 -1.654 18230 8173 1 17 . 1 1 88 88 PHE CB C 88 39.206 39.206 38.895 0.311 18230 8174 1 17 . 1 1 88 88 PHE H H 88 7.865 7.865 8.109 -0.244 18230 8175 1 17 . 1 1 89 89 PHE N N 89 118.050 118.050 119.251 -1.201 18230 8176 1 17 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.196 0.014 18230 8177 1 17 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.096 -1.595 18230 8178 1 17 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.694 -0.207 18230 8179 1 17 . 1 1 89 89 PHE H H 89 7.924 7.924 8.226 -0.302 18230 8180 1 17 . 1 1 90 90 TRP N N 90 119.104 119.104 119.805 -0.701 18230 8181 1 17 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.496 -0.020 18230 8182 1 17 . 1 1 90 90 TRP CA C 90 57.688 57.688 59.455 -1.767 18230 8183 1 17 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.560 -1.066 18230 8184 1 17 . 1 1 90 90 TRP H H 90 7.848 7.848 8.330 -0.482 18230 8185 1 17 . 1 1 91 91 GLU N N 91 120.457 120.457 118.442 2.015 18230 8186 1 17 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.565 -0.436 18230 8187 1 17 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.197 1.843 18230 8188 1 17 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.780 -1.747 18230 8189 1 17 . 1 1 91 91 GLU H H 91 7.816 7.816 8.185 -0.369 18230 8190 1 17 . 1 1 92 92 ASN N N 92 125.418 125.418 121.041 4.377 18230 8191 1 17 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.962 -0.552 18230 8192 1 17 . 1 1 92 92 ASN CA C 92 54.731 54.731 52.070 2.661 18230 8193 1 17 . 1 1 92 92 ASN CB C 92 41.074 41.074 40.023 1.051 18230 8194 1 17 . 1 1 92 92 ASN H H 92 7.846 7.846 8.532 -0.686 18230 8195 1 18 . 1 1 2 2 SER HA H 2 4.757 4.757 4.818 -0.061 18230 8196 1 18 . 1 1 2 2 SER CA C 2 57.482 57.482 56.933 0.549 18230 8197 1 18 . 1 1 2 2 SER CB C 2 64.893 64.893 64.569 0.324 18230 8198 1 18 . 1 1 3 3 GLU N N 3 123.948 123.948 127.773 -3.825 18230 8199 1 18 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.090 0.035 18230 8200 1 18 . 1 1 3 3 GLU C C 3 179.443 179.443 178.146 1.297 18230 8201 1 18 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.051 1.248 18230 8202 1 18 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.726 -0.154 18230 8203 1 18 . 1 1 3 3 GLU H H 3 9.442 9.442 9.041 0.401 18230 8204 1 18 . 1 1 4 4 LEU N N 4 120.236 120.236 120.636 -0.400 18230 8205 1 18 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.019 0.056 18230 8206 1 18 . 1 1 4 4 LEU CA C 4 58.091 58.091 58.572 -0.481 18230 8207 1 18 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.926 0.576 18230 8208 1 18 . 1 1 4 4 LEU H H 4 8.907 8.907 7.739 1.168 18230 8209 1 18 . 1 1 5 5 GLU N N 5 119.034 119.034 118.564 0.470 18230 8210 1 18 . 1 1 5 5 GLU HA H 5 3.968 3.968 3.970 -0.002 18230 8211 1 18 . 1 1 5 5 GLU C C 5 179.234 179.234 178.896 0.338 18230 8212 1 18 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.895 0.244 18230 8213 1 18 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.416 0.000 18230 8214 1 18 . 1 1 5 5 GLU H H 5 8.296 8.296 8.583 -0.287 18230 8215 1 18 . 1 1 6 6 THR N N 6 116.586 116.586 116.582 0.004 18230 8216 1 18 . 1 1 6 6 THR HA H 6 4.008 4.008 4.037 -0.029 18230 8217 1 18 . 1 1 6 6 THR CA C 6 66.397 66.397 66.719 -0.322 18230 8218 1 18 . 1 1 6 6 THR CB C 6 68.595 68.595 68.504 0.091 18230 8219 1 18 . 1 1 6 6 THR H H 6 8.282 8.282 7.968 0.314 18230 8220 1 18 . 1 1 7 7 ALA N N 7 126.275 126.275 124.788 1.487 18230 8221 1 18 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.111 0.072 18230 8222 1 18 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.105 0.508 18230 8223 1 18 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.154 -0.214 18230 8224 1 18 . 1 1 7 7 ALA H H 7 8.141 8.141 8.154 -0.013 18230 8225 1 18 . 1 1 8 8 MET N N 8 117.071 117.071 118.120 -1.049 18230 8226 1 18 . 1 1 8 8 MET HA H 8 3.834 3.834 4.001 -0.167 18230 8227 1 18 . 1 1 8 8 MET C C 8 177.846 177.846 178.861 -1.015 18230 8228 1 18 . 1 1 8 8 MET CA C 8 60.757 60.757 59.701 1.056 18230 8229 1 18 . 1 1 8 8 MET CB C 8 34.012 34.012 32.533 1.479 18230 8230 1 18 . 1 1 8 8 MET H H 8 8.269 8.269 8.256 0.013 18230 8231 1 18 . 1 1 9 9 GLU N N 9 117.667 117.667 118.766 -1.099 18230 8232 1 18 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.058 -0.130 18230 8233 1 18 . 1 1 9 9 GLU C C 9 178.933 178.933 179.206 -0.273 18230 8234 1 18 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.829 0.034 18230 8235 1 18 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.482 -0.221 18230 8236 1 18 . 1 1 9 9 GLU H H 9 8.105 8.105 8.723 -0.618 18230 8237 1 18 . 1 1 10 10 THR N N 10 118.326 118.326 117.683 0.643 18230 8238 1 18 . 1 1 10 10 THR HA H 10 4.075 4.075 4.104 -0.029 18230 8239 1 18 . 1 1 10 10 THR CA C 10 67.311 67.311 66.840 0.471 18230 8240 1 18 . 1 1 10 10 THR CB C 10 67.934 67.934 68.502 -0.568 18230 8241 1 18 . 1 1 10 10 THR H H 10 8.407 8.407 8.205 0.202 18230 8242 1 18 . 1 1 11 11 LEU N N 11 119.765 119.765 121.863 -2.098 18230 8243 1 18 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.110 -0.182 18230 8244 1 18 . 1 1 11 11 LEU C C 11 180.896 180.896 179.255 1.641 18230 8245 1 18 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.385 0.896 18230 8246 1 18 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.338 0.262 18230 8247 1 18 . 1 1 11 11 LEU H H 11 8.131 8.131 8.332 -0.201 18230 8248 1 18 . 1 1 12 12 ILE N N 12 119.540 119.540 120.396 -0.856 18230 8249 1 18 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.845 0.110 18230 8250 1 18 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.837 -0.105 18230 8251 1 18 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.672 1.714 18230 8252 1 18 . 1 1 12 12 ILE H H 12 7.715 7.715 8.477 -0.762 18230 8253 1 18 . 1 1 13 13 ASN N N 13 121.587 121.587 118.276 3.311 18230 8254 1 18 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.529 0.002 18230 8255 1 18 . 1 1 13 13 ASN C C 13 178.867 178.867 178.219 0.648 18230 8256 1 18 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.216 0.213 18230 8257 1 18 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.264 -0.202 18230 8258 1 18 . 1 1 13 13 ASN H H 13 9.040 9.040 8.417 0.623 18230 8259 1 18 . 1 1 14 14 VAL N N 14 120.603 120.603 117.531 3.072 18230 8260 1 18 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.817 -0.010 18230 8261 1 18 . 1 1 14 14 VAL C C 14 177.113 177.113 177.308 -0.195 18230 8262 1 18 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.236 0.272 18230 8263 1 18 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.597 -0.000 18230 8264 1 18 . 1 1 14 14 VAL H H 14 8.954 8.954 8.243 0.711 18230 8265 1 18 . 1 1 15 15 PHE N N 15 117.585 117.585 122.377 -4.792 18230 8266 1 18 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.571 -0.112 18230 8267 1 18 . 1 1 15 15 PHE C C 15 177.257 177.257 176.732 0.525 18230 8268 1 18 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.730 0.846 18230 8269 1 18 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.502 0.549 18230 8270 1 18 . 1 1 15 15 PHE H H 15 6.956 6.956 8.468 -1.512 18230 8271 1 18 . 1 1 16 16 HIS N N 16 115.204 115.204 118.844 -3.640 18230 8272 1 18 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.749 1.090 18230 8273 1 18 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.398 -0.920 18230 8274 1 18 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.542 -0.622 18230 8275 1 18 . 1 1 16 16 HIS H H 16 7.736 7.736 8.471 -0.735 18230 8276 1 18 . 1 1 17 17 ALA N N 17 123.201 123.201 121.859 1.342 18230 8277 1 18 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.813 0.223 18230 8278 1 18 . 1 1 17 17 ALA C C 17 178.867 178.867 179.984 -1.117 18230 8279 1 18 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.898 -0.753 18230 8280 1 18 . 1 1 17 17 ALA CB C 17 17.661 17.661 17.935 -0.274 18230 8281 1 18 . 1 1 17 17 ALA H H 17 8.066 8.066 7.944 0.122 18230 8282 1 18 . 1 1 18 18 HIS N N 18 113.974 113.974 117.079 -3.105 18230 8283 1 18 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.210 0.162 18230 8284 1 18 . 1 1 18 18 HIS C C 18 175.568 175.568 177.360 -1.792 18230 8285 1 18 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.398 -1.986 18230 8286 1 18 . 1 1 18 18 HIS CB C 18 32.753 32.753 30.118 2.635 18230 8287 1 18 . 1 1 18 18 HIS H H 18 7.047 7.047 8.222 -1.175 18230 8288 1 18 . 1 1 19 19 SER N N 19 113.745 113.745 115.191 -1.446 18230 8289 1 18 . 1 1 19 19 SER HA H 19 3.658 3.658 3.901 -0.243 18230 8290 1 18 . 1 1 19 19 SER CA C 19 61.247 61.247 61.757 -0.509 18230 8291 1 18 . 1 1 19 19 SER CB C 19 61.323 61.323 62.201 -0.878 18230 8292 1 18 . 1 1 19 19 SER H H 19 8.470 8.470 8.122 0.348 18230 8293 1 18 . 1 1 20 20 GLY N N 20 111.711 111.711 108.497 3.214 18230 8294 1 18 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.611 -0.229 18230 8295 1 18 . 1 1 20 20 GLY H H 20 7.739 7.739 7.517 0.222 18230 8296 1 18 . 1 1 21 21 LYS N N 21 122.328 122.328 120.628 1.700 18230 8297 1 18 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.867 0.047 18230 8298 1 18 . 1 1 21 21 LYS C C 21 177.192 177.192 176.989 0.203 18230 8299 1 18 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.004 1.333 18230 8300 1 18 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.642 0.046 18230 8301 1 18 . 1 1 21 21 LYS H H 21 7.200 7.200 7.451 -0.251 18230 8302 1 18 . 1 1 22 22 GLU N N 22 115.975 115.975 117.813 -1.838 18230 8303 1 18 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.314 0.343 18230 8304 1 18 . 1 1 22 22 GLU C C 22 175.882 175.882 175.888 -0.006 18230 8305 1 18 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.288 -1.184 18230 8306 1 18 . 1 1 22 22 GLU CB C 22 33.003 33.003 31.755 1.248 18230 8307 1 18 . 1 1 22 22 GLU H H 22 9.369 9.369 7.594 1.775 18230 8308 1 18 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.268 0.568 18230 8309 1 18 . 1 1 25 25 LYS HA H 25 4.276 4.276 4.357 -0.081 18230 8310 1 18 . 1 1 25 25 LYS CA C 25 57.980 57.980 56.205 1.775 18230 8311 1 18 . 1 1 25 25 LYS CB C 25 31.208 31.208 33.153 -1.945 18230 8312 1 18 . 1 1 26 26 TYR N N 26 119.825 119.825 112.856 6.969 18230 8313 1 18 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.229 0.476 18230 8314 1 18 . 1 1 26 26 TYR C C 26 173.696 173.696 174.565 -0.869 18230 8315 1 18 . 1 1 26 26 TYR CA C 26 56.180 56.180 59.716 -3.536 18230 8316 1 18 . 1 1 26 26 TYR CB C 26 38.049 38.049 36.602 1.447 18230 8317 1 18 . 1 1 26 26 TYR H H 26 9.414 9.414 8.360 1.054 18230 8318 1 18 . 1 1 27 27 LYS N N 27 114.922 114.922 118.336 -3.414 18230 8319 1 18 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.855 0.265 18230 8320 1 18 . 1 1 27 27 LYS C C 27 174.678 174.678 173.980 0.698 18230 8321 1 18 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.946 0.044 18230 8322 1 18 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.505 2.336 18230 8323 1 18 . 1 1 27 27 LYS H H 27 7.107 7.107 7.717 -0.610 18230 8324 1 18 . 1 1 28 28 LEU N N 28 125.976 125.976 126.388 -0.412 18230 8325 1 18 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.923 0.261 18230 8326 1 18 . 1 1 28 28 LEU CA C 28 52.775 52.775 53.115 -0.340 18230 8327 1 18 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.961 -2.924 18230 8328 1 18 . 1 1 28 28 LEU H H 28 9.757 9.757 9.092 0.665 18230 8329 1 18 . 1 1 29 29 SER N N 29 121.025 121.025 119.447 1.578 18230 8330 1 18 . 1 1 29 29 SER HA H 29 4.558 4.558 4.992 -0.434 18230 8331 1 18 . 1 1 29 29 SER C C 29 174.338 174.338 175.077 -0.739 18230 8332 1 18 . 1 1 29 29 SER CA C 29 56.208 56.208 55.808 0.400 18230 8333 1 18 . 1 1 29 29 SER CB C 29 65.480 65.480 64.745 0.735 18230 8334 1 18 . 1 1 29 29 SER H H 29 9.908 9.908 8.156 1.752 18230 8335 1 18 . 1 1 30 30 LYS N N 30 120.385 120.385 126.309 -5.924 18230 8336 1 18 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.933 -0.086 18230 8337 1 18 . 1 1 30 30 LYS C C 30 177.859 177.859 178.445 -0.586 18230 8338 1 18 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.616 0.686 18230 8339 1 18 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.452 -0.441 18230 8340 1 18 . 1 1 30 30 LYS H H 30 8.845 8.845 9.170 -0.325 18230 8341 1 18 . 1 1 31 31 LYS N N 31 118.358 118.358 118.089 0.269 18230 8342 1 18 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.008 -0.107 18230 8343 1 18 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.383 0.230 18230 8344 1 18 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.661 1.338 18230 8345 1 18 . 1 1 31 31 LYS H H 31 7.924 7.924 7.628 0.296 18230 8346 1 18 . 1 1 32 32 GLU N N 32 119.355 119.355 120.601 -1.246 18230 8347 1 18 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.093 -0.192 18230 8348 1 18 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.010 -0.172 18230 8349 1 18 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.425 1.238 18230 8350 1 18 . 1 1 32 32 GLU H H 32 7.502 7.502 8.034 -0.532 18230 8351 1 18 . 1 1 33 33 LEU N N 33 119.533 119.533 117.531 2.002 18230 8352 1 18 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.097 -0.189 18230 8353 1 18 . 1 1 33 33 LEU C C 33 177.571 177.571 178.681 -1.110 18230 8354 1 18 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.355 -0.580 18230 8355 1 18 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.086 0.403 18230 8356 1 18 . 1 1 33 33 LEU H H 33 9.076 9.076 8.762 0.314 18230 8357 1 18 . 1 1 34 34 LYS N N 34 119.251 119.251 119.574 -0.323 18230 8358 1 18 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.905 -0.259 18230 8359 1 18 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.438 1.145 18230 8360 1 18 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.955 0.110 18230 8361 1 18 . 1 1 34 34 LYS H H 34 8.262 8.262 8.378 -0.116 18230 8362 1 18 . 1 1 35 35 GLU N N 35 117.642 117.642 119.588 -1.946 18230 8363 1 18 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.110 -0.115 18230 8364 1 18 . 1 1 35 35 GLU C C 35 178.776 178.776 178.817 -0.041 18230 8365 1 18 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.107 0.479 18230 8366 1 18 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.801 -0.852 18230 8367 1 18 . 1 1 35 35 GLU H H 35 7.742 7.742 7.820 -0.078 18230 8368 1 18 . 1 1 36 36 LEU N N 36 124.753 124.753 122.400 2.353 18230 8369 1 18 . 1 1 36 36 LEU HA H 36 2.696 2.696 2.844 -0.148 18230 8370 1 18 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.182 2.515 18230 8371 1 18 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.781 0.187 18230 8372 1 18 . 1 1 36 36 LEU H H 36 8.304 8.304 8.153 0.151 18230 8373 1 18 . 1 1 37 37 LEU N N 37 119.058 119.058 118.055 1.003 18230 8374 1 18 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.980 -0.253 18230 8375 1 18 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.086 0.226 18230 8376 1 18 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.840 0.960 18230 8377 1 18 . 1 1 37 37 LEU H H 37 8.684 8.684 8.575 0.109 18230 8378 1 18 . 1 1 38 38 GLN N N 38 114.728 114.728 116.598 -1.870 18230 8379 1 18 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.260 -0.319 18230 8380 1 18 . 1 1 38 38 GLN C C 38 177.584 177.584 178.230 -0.646 18230 8381 1 18 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.580 -0.102 18230 8382 1 18 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.906 0.121 18230 8383 1 18 . 1 1 38 38 GLN H H 38 8.510 8.510 7.670 0.840 18230 8384 1 18 . 1 1 39 39 THR N N 39 110.419 110.419 110.086 0.333 18230 8385 1 18 . 1 1 39 39 THR HA H 39 4.238 4.238 4.196 0.043 18230 8386 1 18 . 1 1 39 39 THR C C 39 176.341 176.341 175.844 0.497 18230 8387 1 18 . 1 1 39 39 THR CA C 39 64.874 64.874 64.874 0.001 18230 8388 1 18 . 1 1 39 39 THR CB C 39 69.919 69.919 69.452 0.467 18230 8389 1 18 . 1 1 39 39 THR H H 39 7.863 7.863 7.975 -0.112 18230 8390 1 18 . 1 1 40 40 GLU N N 40 117.514 117.514 120.858 -3.344 18230 8391 1 18 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.443 0.310 18230 8392 1 18 . 1 1 40 40 GLU C C 40 177.807 177.807 176.841 0.966 18230 8393 1 18 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.379 -0.897 18230 8394 1 18 . 1 1 40 40 GLU CB C 40 31.789 31.789 30.956 0.833 18230 8395 1 18 . 1 1 40 40 GLU H H 40 8.468 8.468 8.163 0.305 18230 8396 1 18 . 1 1 41 41 LEU N N 41 121.141 121.141 120.636 0.505 18230 8397 1 18 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.753 0.260 18230 8398 1 18 . 1 1 41 41 LEU CA C 41 52.830 52.830 53.915 -1.085 18230 8399 1 18 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.263 0.360 18230 8400 1 18 . 1 1 41 41 LEU H H 41 7.682 7.682 8.326 -0.644 18230 8401 1 18 . 1 1 42 42 SER N N 42 116.557 116.557 118.091 -1.534 18230 8402 1 18 . 1 1 42 42 SER HA H 42 4.055 4.055 4.497 -0.442 18230 8403 1 18 . 1 1 42 42 SER C C 42 176.537 176.537 176.601 -0.064 18230 8404 1 18 . 1 1 42 42 SER CA C 42 61.552 61.552 59.200 2.353 18230 8405 1 18 . 1 1 42 42 SER CB C 42 62.783 62.783 64.115 -1.332 18230 8406 1 18 . 1 1 42 42 SER H H 42 8.186 8.186 8.784 -0.598 18230 8407 1 18 . 1 1 43 43 GLY N N 43 111.517 111.517 110.825 0.692 18230 8408 1 18 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.808 -0.761 18230 8409 1 18 . 1 1 43 43 GLY H H 43 8.880 8.880 8.796 0.084 18230 8410 1 18 . 1 1 44 44 PHE N N 44 122.405 122.405 119.291 3.114 18230 8411 1 18 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.205 0.152 18230 8412 1 18 . 1 1 44 44 PHE C C 44 176.851 176.851 177.330 -0.479 18230 8413 1 18 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.137 -1.302 18230 8414 1 18 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.587 1.034 18230 8415 1 18 . 1 1 44 44 PHE H H 44 7.972 7.972 8.034 -0.062 18230 8416 1 18 . 1 1 45 45 LEU N N 45 119.444 119.444 118.297 1.147 18230 8417 1 18 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.184 -0.255 18230 8418 1 18 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.730 -0.467 18230 8419 1 18 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.393 0.564 18230 8420 1 18 . 1 1 45 45 LEU H H 45 8.148 8.148 7.739 0.409 18230 8421 1 18 . 1 1 46 46 ASP N N 46 120.023 120.023 120.340 -0.317 18230 8422 1 18 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.339 0.037 18230 8423 1 18 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.550 -0.868 18230 8424 1 18 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.849 -0.061 18230 8425 1 18 . 1 1 46 46 ASP H H 46 8.307 8.307 8.556 -0.249 18230 8426 1 18 . 1 1 47 47 ALA N N 47 121.156 121.156 120.308 0.848 18230 8427 1 18 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.082 0.074 18230 8428 1 18 . 1 1 47 47 ALA CA C 47 52.913 52.913 53.879 -0.966 18230 8429 1 18 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.886 -0.232 18230 8430 1 18 . 1 1 47 47 ALA H H 47 7.606 7.606 7.465 0.141 18230 8431 1 18 . 1 1 48 48 GLN N N 48 116.408 116.408 118.017 -1.609 18230 8432 1 18 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.462 -0.326 18230 8433 1 18 . 1 1 48 48 GLN C C 48 175.882 175.882 175.788 0.094 18230 8434 1 18 . 1 1 48 48 GLN CA C 48 55.362 55.362 54.624 0.738 18230 8435 1 18 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.745 -0.263 18230 8436 1 18 . 1 1 48 48 GLN H H 48 7.665 7.665 7.568 0.097 18230 8437 1 18 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.032 0.097 18230 8438 1 18 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.892 -1.187 18230 8439 1 18 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.700 -0.402 18230 8440 1 18 . 1 1 50 50 ASP N N 50 118.824 118.824 119.026 -0.202 18230 8441 1 18 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.663 -0.115 18230 8442 1 18 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.417 -0.452 18230 8443 1 18 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.485 0.550 18230 8444 1 18 . 1 1 50 50 ASP H H 50 7.982 7.982 7.977 0.005 18230 8445 1 18 . 1 1 51 51 VAL N N 51 121.055 121.055 119.982 1.073 18230 8446 1 18 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.837 0.114 18230 8447 1 18 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.982 -1.326 18230 8448 1 18 . 1 1 51 51 VAL CB C 51 32.000 32.000 32.251 -0.251 18230 8449 1 18 . 1 1 51 51 VAL H H 51 8.231 8.231 8.316 -0.085 18230 8450 1 18 . 1 1 52 52 ASP N N 52 121.189 121.189 120.140 1.049 18230 8451 1 18 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.419 0.340 18230 8452 1 18 . 1 1 52 52 ASP C C 52 176.367 176.367 177.586 -1.219 18230 8453 1 18 . 1 1 52 52 ASP CA C 52 53.716 53.716 56.667 -2.951 18230 8454 1 18 . 1 1 52 52 ASP CB C 52 40.399 40.399 40.201 0.198 18230 8455 1 18 . 1 1 52 52 ASP H H 52 8.410 8.410 8.784 -0.374 18230 8456 1 18 . 1 1 53 53 ALA N N 53 123.582 123.582 122.130 1.452 18230 8457 1 18 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.004 -0.072 18230 8458 1 18 . 1 1 53 53 ALA C C 53 179.208 179.208 179.133 0.075 18230 8459 1 18 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.042 0.224 18230 8460 1 18 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.394 0.763 18230 8461 1 18 . 1 1 53 53 ALA H H 53 7.755 7.755 7.321 0.434 18230 8462 1 18 . 1 1 54 54 VAL N N 54 116.235 116.235 118.508 -2.273 18230 8463 1 18 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.669 -0.214 18230 8464 1 18 . 1 1 54 54 VAL C C 54 176.432 176.432 176.948 -0.516 18230 8465 1 18 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.808 -0.564 18230 8466 1 18 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.915 -1.151 18230 8467 1 18 . 1 1 54 54 VAL H H 54 8.300 8.300 7.815 0.485 18230 8468 1 18 . 1 1 55 55 ASP N N 55 120.594 120.594 119.452 1.142 18230 8469 1 18 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.341 -0.186 18230 8470 1 18 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.404 0.180 18230 8471 1 18 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.497 0.333 18230 8472 1 18 . 1 1 55 55 ASP H H 55 7.684 7.684 7.796 -0.112 18230 8473 1 18 . 1 1 56 56 LYS N N 56 119.178 119.178 119.318 -0.140 18230 8474 1 18 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.018 -0.090 18230 8475 1 18 . 1 1 56 56 LYS C C 56 178.697 178.697 179.363 -0.666 18230 8476 1 18 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.484 0.019 18230 8477 1 18 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.537 -0.247 18230 8478 1 18 . 1 1 56 56 LYS H H 56 7.638 7.638 7.957 -0.319 18230 8479 1 18 . 1 1 57 57 VAL N N 57 119.870 119.870 118.940 0.930 18230 8480 1 18 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.770 -0.046 18230 8481 1 18 . 1 1 57 57 VAL C C 57 177.558 177.558 178.109 -0.551 18230 8482 1 18 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.370 -0.444 18230 8483 1 18 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.788 -0.641 18230 8484 1 18 . 1 1 57 57 VAL H H 57 7.928 7.928 8.220 -0.292 18230 8485 1 18 . 1 1 58 58 MET N N 58 118.736 118.736 118.277 0.459 18230 8486 1 18 . 1 1 58 58 MET HA H 58 3.928 3.928 4.171 -0.243 18230 8487 1 18 . 1 1 58 58 MET C C 58 177.021 177.021 177.906 -0.885 18230 8488 1 18 . 1 1 58 58 MET CA C 58 58.534 58.534 58.830 -0.296 18230 8489 1 18 . 1 1 58 58 MET CB C 58 32.065 32.065 32.106 -0.042 18230 8490 1 18 . 1 1 58 58 MET H H 58 8.443 8.443 8.379 0.064 18230 8491 1 18 . 1 1 59 59 LYS N N 59 116.214 116.214 118.459 -2.245 18230 8492 1 18 . 1 1 59 59 LYS HA H 59 3.968 3.968 4.003 -0.035 18230 8493 1 18 . 1 1 59 59 LYS C C 59 178.893 178.893 178.561 0.332 18230 8494 1 18 . 1 1 59 59 LYS CA C 59 58.866 58.866 58.957 -0.091 18230 8495 1 18 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.680 0.385 18230 8496 1 18 . 1 1 59 59 LYS H H 59 7.629 7.629 8.112 -0.483 18230 8497 1 18 . 1 1 60 60 GLU N N 60 117.288 117.288 116.857 0.431 18230 8498 1 18 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.158 -0.123 18230 8499 1 18 . 1 1 60 60 GLU C C 60 178.173 178.173 178.372 -0.199 18230 8500 1 18 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.383 -0.154 18230 8501 1 18 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.460 0.345 18230 8502 1 18 . 1 1 60 60 GLU H H 60 7.599 7.599 7.565 0.034 18230 8503 1 18 . 1 1 61 61 LEU N N 61 116.163 116.163 118.829 -2.666 18230 8504 1 18 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.176 0.194 18230 8505 1 18 . 1 1 61 61 LEU C C 61 178.893 178.893 177.730 1.163 18230 8506 1 18 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.228 -0.990 18230 8507 1 18 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.198 1.743 18230 8508 1 18 . 1 1 61 61 LEU H H 61 8.060 8.060 7.186 0.874 18230 8509 1 18 . 1 1 62 62 ASP N N 62 116.934 116.934 117.947 -1.013 18230 8510 1 18 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.962 -0.296 18230 8511 1 18 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.625 -0.380 18230 8512 1 18 . 1 1 62 62 ASP CB C 62 39.009 39.009 40.302 -1.293 18230 8513 1 18 . 1 1 62 62 ASP H H 62 8.012 8.012 7.924 0.088 18230 8514 1 18 . 1 1 63 63 GLU N N 63 129.388 129.388 127.157 2.231 18230 8515 1 18 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.026 -0.004 18230 8516 1 18 . 1 1 63 63 GLU C C 63 177.519 177.519 177.978 -0.459 18230 8517 1 18 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.857 -0.185 18230 8518 1 18 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.956 0.551 18230 8519 1 18 . 1 1 63 63 GLU H H 63 8.356 8.356 8.496 -0.140 18230 8520 1 18 . 1 1 64 64 ASN N N 64 112.751 112.751 116.590 -3.839 18230 8521 1 18 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.542 0.191 18230 8522 1 18 . 1 1 64 64 ASN C C 64 176.498 176.498 175.940 0.558 18230 8523 1 18 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.370 -2.481 18230 8524 1 18 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.914 -1.742 18230 8525 1 18 . 1 1 64 64 ASN H H 64 7.997 7.997 7.996 0.001 18230 8526 1 18 . 1 1 65 65 GLY N N 65 109.265 109.265 107.025 2.240 18230 8527 1 18 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.471 1.932 18230 8528 1 18 . 1 1 65 65 GLY H H 65 7.552 7.552 8.122 -0.570 18230 8529 1 18 . 1 1 66 66 ASP N N 66 119.331 119.331 121.072 -1.741 18230 8530 1 18 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.624 -0.092 18230 8531 1 18 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.443 0.747 18230 8532 1 18 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.461 -0.218 18230 8533 1 18 . 1 1 66 66 ASP H H 66 8.124 8.124 7.896 0.228 18230 8534 1 18 . 1 1 67 67 GLY N N 67 113.348 113.348 108.611 4.737 18230 8535 1 18 . 1 1 67 67 GLY CA C 67 45.604 45.604 46.240 -0.636 18230 8536 1 18 . 1 1 67 67 GLY H H 67 10.285 10.285 9.113 1.172 18230 8537 1 18 . 1 1 68 68 GLU N N 68 117.060 117.060 119.668 -2.608 18230 8538 1 18 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.839 -0.038 18230 8539 1 18 . 1 1 68 68 GLU C C 68 175.176 175.176 175.235 -0.059 18230 8540 1 18 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.450 0.060 18230 8541 1 18 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.432 3.791 18230 8542 1 18 . 1 1 68 68 GLU H H 68 7.732 7.732 8.685 -0.953 18230 8543 1 18 . 1 1 69 69 VAL N N 69 125.264 125.264 125.424 -0.160 18230 8544 1 18 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.810 0.430 18230 8545 1 18 . 1 1 69 69 VAL C C 69 175.961 175.961 175.276 0.685 18230 8546 1 18 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.094 1.050 18230 8547 1 18 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.097 0.588 18230 8548 1 18 . 1 1 69 69 VAL H H 69 9.392 9.392 8.907 0.485 18230 8549 1 18 . 1 1 70 70 ASP N N 70 129.378 129.378 125.691 3.687 18230 8550 1 18 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.968 0.193 18230 8551 1 18 . 1 1 70 70 ASP C C 70 175.032 175.032 176.587 -1.555 18230 8552 1 18 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.578 -0.163 18230 8553 1 18 . 1 1 70 70 ASP CB C 70 41.839 41.839 42.543 -0.704 18230 8554 1 18 . 1 1 70 70 ASP H H 70 9.112 9.112 8.688 0.424 18230 8555 1 18 . 1 1 71 71 PHE N N 71 118.452 118.452 120.945 -2.493 18230 8556 1 18 . 1 1 71 71 PHE HA H 71 2.913 2.913 2.859 0.054 18230 8557 1 18 . 1 1 71 71 PHE C C 71 176.576 176.576 176.781 -0.205 18230 8558 1 18 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.547 2.887 18230 8559 1 18 . 1 1 71 71 PHE CB C 71 39.231 39.231 39.109 0.122 18230 8560 1 18 . 1 1 71 71 PHE H H 71 8.948 8.948 8.957 -0.009 18230 8561 1 18 . 1 1 72 72 GLN N N 72 116.934 116.934 118.432 -1.498 18230 8562 1 18 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.826 -0.138 18230 8563 1 18 . 1 1 72 72 GLN C C 72 178.056 178.056 178.332 -0.276 18230 8564 1 18 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.421 0.172 18230 8565 1 18 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.136 0.028 18230 8566 1 18 . 1 1 72 72 GLN H H 72 8.012 8.012 8.399 -0.387 18230 8567 1 18 . 1 1 73 73 GLU N N 73 120.208 120.208 120.577 -0.369 18230 8568 1 18 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.022 0.044 18230 8569 1 18 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.661 -1.155 18230 8570 1 18 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.787 0.330 18230 8571 1 18 . 1 1 73 73 GLU H H 73 8.308 8.308 9.690 -1.382 18230 8572 1 18 . 1 1 74 74 TYR N N 74 121.623 121.623 121.504 0.119 18230 8573 1 18 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.201 -0.112 18230 8574 1 18 . 1 1 74 74 TYR C C 74 176.485 176.485 177.510 -1.025 18230 8575 1 18 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.719 -2.244 18230 8576 1 18 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.715 -0.709 18230 8577 1 18 . 1 1 74 74 TYR H H 74 8.339 8.339 8.475 -0.136 18230 8578 1 18 . 1 1 75 75 VAL N N 75 120.827 120.827 119.432 1.395 18230 8579 1 18 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.572 -0.698 18230 8580 1 18 . 1 1 75 75 VAL C C 75 176.563 176.563 177.600 -1.037 18230 8581 1 18 . 1 1 75 75 VAL CA C 75 66.354 66.354 67.080 -0.726 18230 8582 1 18 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.958 -1.307 18230 8583 1 18 . 1 1 75 75 VAL H H 75 8.088 8.088 8.358 -0.270 18230 8584 1 18 . 1 1 76 76 VAL N N 76 120.216 120.216 118.202 2.014 18230 8585 1 18 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.674 -0.259 18230 8586 1 18 . 1 1 76 76 VAL C C 76 178.645 178.645 177.285 1.360 18230 8587 1 18 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.272 0.586 18230 8588 1 18 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.212 0.088 18230 8589 1 18 . 1 1 76 76 VAL H H 76 7.132 7.132 7.981 -0.849 18230 8590 1 18 . 1 1 77 77 LEU N N 77 120.900 120.900 121.924 -1.024 18230 8591 1 18 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.921 0.107 18230 8592 1 18 . 1 1 77 77 LEU C C 77 177.362 177.362 178.164 -0.802 18230 8593 1 18 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.373 -0.699 18230 8594 1 18 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.511 -0.956 18230 8595 1 18 . 1 1 77 77 LEU H H 77 6.860 6.860 7.813 -0.953 18230 8596 1 18 . 1 1 78 78 VAL N N 78 116.991 116.991 116.641 0.350 18230 8597 1 18 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.533 -0.410 18230 8598 1 18 . 1 1 78 78 VAL C C 78 179.142 179.142 177.536 1.606 18230 8599 1 18 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.059 1.769 18230 8600 1 18 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.086 1.215 18230 8601 1 18 . 1 1 78 78 VAL H H 78 7.519 7.519 7.926 -0.407 18230 8602 1 18 . 1 1 79 79 ALA N N 79 124.679 124.679 123.388 1.291 18230 8603 1 18 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.030 -0.343 18230 8604 1 18 . 1 1 79 79 ALA C C 79 178.213 178.213 179.081 -0.868 18230 8605 1 18 . 1 1 79 79 ALA CA C 79 56.008 56.008 55.014 0.994 18230 8606 1 18 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.088 -0.271 18230 8607 1 18 . 1 1 79 79 ALA H H 79 8.964 8.964 8.164 0.800 18230 8608 1 18 . 1 1 80 80 ALA N N 80 120.376 120.376 121.491 -1.115 18230 8609 1 18 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.069 -0.035 18230 8610 1 18 . 1 1 80 80 ALA C C 80 181.852 181.852 179.650 2.202 18230 8611 1 18 . 1 1 80 80 ALA CA C 80 55.283 55.283 55.005 0.278 18230 8612 1 18 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.341 -0.541 18230 8613 1 18 . 1 1 80 80 ALA H H 80 7.794 7.794 8.412 -0.618 18230 8614 1 18 . 1 1 81 81 LEU N N 81 119.275 119.275 118.639 0.636 18230 8615 1 18 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.089 -0.049 18230 8616 1 18 . 1 1 81 81 LEU C C 81 179.168 179.168 179.358 -0.190 18230 8617 1 18 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.897 -0.551 18230 8618 1 18 . 1 1 81 81 LEU CB C 81 41.645 41.645 40.943 0.702 18230 8619 1 18 . 1 1 81 81 LEU H H 81 8.494 8.494 8.317 0.177 18230 8620 1 18 . 1 1 82 82 THR N N 82 119.781 119.781 116.399 3.382 18230 8621 1 18 . 1 1 82 82 THR HA H 82 3.800 3.800 3.968 -0.168 18230 8622 1 18 . 1 1 82 82 THR CA C 82 68.473 68.473 66.578 1.895 18230 8623 1 18 . 1 1 82 82 THR CB C 82 67.796 67.796 68.216 -0.420 18230 8624 1 18 . 1 1 82 82 THR H H 82 8.418 8.418 8.008 0.410 18230 8625 1 18 . 1 1 83 83 VAL N N 83 122.419 122.419 121.687 0.732 18230 8626 1 18 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.728 -0.026 18230 8627 1 18 . 1 1 83 83 VAL C C 83 177.781 177.781 176.845 0.936 18230 8628 1 18 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.034 2.277 18230 8629 1 18 . 1 1 83 83 VAL CB C 83 31.675 31.675 30.913 0.762 18230 8630 1 18 . 1 1 83 83 VAL H H 83 8.164 8.164 8.164 0.000 18230 8631 1 18 . 1 1 84 84 ALA N N 84 121.470 121.470 122.329 -0.859 18230 8632 1 18 . 1 1 84 84 ALA HA H 84 4.148 4.148 3.957 0.191 18230 8633 1 18 . 1 1 84 84 ALA C C 84 180.032 180.032 179.469 0.563 18230 8634 1 18 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.281 -0.175 18230 8635 1 18 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.980 -0.182 18230 8636 1 18 . 1 1 84 84 ALA H H 84 7.877 7.877 8.386 -0.509 18230 8637 1 18 . 1 1 85 85 CYS N N 85 117.473 117.473 119.425 -1.952 18230 8638 1 18 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.504 -0.080 18230 8639 1 18 . 1 1 85 85 CYS C C 85 176.092 176.092 176.887 -0.795 18230 8640 1 18 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.062 -5.082 18230 8641 1 18 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.185 14.370 18230 8642 1 18 . 1 1 85 85 CYS H H 85 8.370 8.370 8.436 -0.066 18230 8643 1 18 . 1 1 86 86 ASN N N 86 119.886 119.886 118.714 1.172 18230 8644 1 18 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.472 -0.236 18230 8645 1 18 . 1 1 86 86 ASN CA C 86 57.260 57.260 57.008 0.252 18230 8646 1 18 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.435 1.243 18230 8647 1 18 . 1 1 87 87 ASN N N 87 117.136 117.136 118.901 -1.765 18230 8648 1 18 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.485 -0.085 18230 8649 1 18 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.053 -1.021 18230 8650 1 18 . 1 1 87 87 ASN CB C 87 37.829 37.829 37.825 0.004 18230 8651 1 18 . 1 1 87 87 ASN H H 87 8.136 8.136 8.301 -0.165 18230 8652 1 18 . 1 1 88 88 PHE N N 88 119.001 119.001 119.100 -0.099 18230 8653 1 18 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.527 -0.237 18230 8654 1 18 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.179 -1.482 18230 8655 1 18 . 1 1 88 88 PHE CB C 88 39.206 39.206 38.796 0.410 18230 8656 1 18 . 1 1 88 88 PHE H H 88 7.865 7.865 8.133 -0.268 18230 8657 1 18 . 1 1 89 89 PHE N N 89 118.050 118.050 120.141 -2.091 18230 8658 1 18 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.204 0.006 18230 8659 1 18 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.617 -2.117 18230 8660 1 18 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.383 0.104 18230 8661 1 18 . 1 1 89 89 PHE H H 89 7.924 7.924 8.458 -0.534 18230 8662 1 18 . 1 1 90 90 TRP N N 90 119.104 119.104 119.862 -0.758 18230 8663 1 18 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.454 0.022 18230 8664 1 18 . 1 1 90 90 TRP CA C 90 57.688 57.688 59.932 -2.244 18230 8665 1 18 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.480 -0.986 18230 8666 1 18 . 1 1 90 90 TRP H H 90 7.848 7.848 8.558 -0.710 18230 8667 1 18 . 1 1 91 91 GLU N N 91 120.457 120.457 119.466 0.991 18230 8668 1 18 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.567 -0.438 18230 8669 1 18 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.700 1.339 18230 8670 1 18 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.098 -1.065 18230 8671 1 18 . 1 1 91 91 GLU H H 91 7.816 7.816 8.215 -0.399 18230 8672 1 18 . 1 1 92 92 ASN N N 92 125.418 125.418 117.143 8.275 18230 8673 1 18 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.469 -0.059 18230 8674 1 18 . 1 1 92 92 ASN CA C 92 54.731 54.731 54.456 0.275 18230 8675 1 18 . 1 1 92 92 ASN CB C 92 41.074 41.074 37.582 3.492 18230 8676 1 18 . 1 1 92 92 ASN H H 92 7.846 7.846 8.821 -0.975 18230 8677 1 19 . 1 1 2 2 SER HA H 2 4.757 4.757 4.435 0.322 18230 8678 1 19 . 1 1 2 2 SER CA C 2 57.482 57.482 58.448 -0.966 18230 8679 1 19 . 1 1 2 2 SER CB C 2 64.893 64.893 63.868 1.025 18230 8680 1 19 . 1 1 3 3 GLU N N 3 123.948 123.948 122.845 1.103 18230 8681 1 19 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.033 0.092 18230 8682 1 19 . 1 1 3 3 GLU C C 3 179.443 179.443 178.222 1.221 18230 8683 1 19 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.201 1.099 18230 8684 1 19 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.403 0.169 18230 8685 1 19 . 1 1 3 3 GLU H H 3 9.442 9.442 8.598 0.844 18230 8686 1 19 . 1 1 4 4 LEU N N 4 120.236 120.236 119.991 0.245 18230 8687 1 19 . 1 1 4 4 LEU HA H 4 4.075 4.075 3.989 0.086 18230 8688 1 19 . 1 1 4 4 LEU CA C 4 58.091 58.091 58.453 -0.362 18230 8689 1 19 . 1 1 4 4 LEU CB C 4 42.502 42.502 42.004 0.498 18230 8690 1 19 . 1 1 4 4 LEU H H 4 8.907 8.907 7.857 1.050 18230 8691 1 19 . 1 1 5 5 GLU N N 5 119.034 119.034 118.557 0.477 18230 8692 1 19 . 1 1 5 5 GLU HA H 5 3.968 3.968 3.981 -0.013 18230 8693 1 19 . 1 1 5 5 GLU C C 5 179.234 179.234 179.012 0.222 18230 8694 1 19 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.911 0.229 18230 8695 1 19 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.441 -0.025 18230 8696 1 19 . 1 1 5 5 GLU H H 5 8.296 8.296 7.995 0.301 18230 8697 1 19 . 1 1 6 6 THR N N 6 116.586 116.586 117.096 -0.510 18230 8698 1 19 . 1 1 6 6 THR HA H 6 4.008 4.008 4.013 -0.005 18230 8699 1 19 . 1 1 6 6 THR CA C 6 66.397 66.397 66.519 -0.121 18230 8700 1 19 . 1 1 6 6 THR CB C 6 68.595 68.595 68.757 -0.162 18230 8701 1 19 . 1 1 6 6 THR H H 6 8.282 8.282 7.951 0.331 18230 8702 1 19 . 1 1 7 7 ALA N N 7 126.275 126.275 124.601 1.674 18230 8703 1 19 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.096 0.087 18230 8704 1 19 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.071 0.542 18230 8705 1 19 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.267 -0.327 18230 8706 1 19 . 1 1 7 7 ALA H H 7 8.141 8.141 8.148 -0.007 18230 8707 1 19 . 1 1 8 8 MET N N 8 117.071 117.071 118.120 -1.049 18230 8708 1 19 . 1 1 8 8 MET HA H 8 3.834 3.834 4.000 -0.166 18230 8709 1 19 . 1 1 8 8 MET C C 8 177.846 177.846 178.858 -1.012 18230 8710 1 19 . 1 1 8 8 MET CA C 8 60.757 60.757 59.705 1.052 18230 8711 1 19 . 1 1 8 8 MET CB C 8 34.012 34.012 32.532 1.480 18230 8712 1 19 . 1 1 8 8 MET H H 8 8.269 8.269 8.242 0.027 18230 8713 1 19 . 1 1 9 9 GLU N N 9 117.667 117.667 118.951 -1.284 18230 8714 1 19 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.075 -0.147 18230 8715 1 19 . 1 1 9 9 GLU C C 9 178.933 178.933 179.206 -0.273 18230 8716 1 19 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.742 0.121 18230 8717 1 19 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.496 -0.235 18230 8718 1 19 . 1 1 9 9 GLU H H 9 8.105 8.105 8.729 -0.624 18230 8719 1 19 . 1 1 10 10 THR N N 10 118.326 118.326 118.152 0.174 18230 8720 1 19 . 1 1 10 10 THR HA H 10 4.075 4.075 4.051 0.024 18230 8721 1 19 . 1 1 10 10 THR CA C 10 67.311 67.311 66.997 0.314 18230 8722 1 19 . 1 1 10 10 THR CB C 10 67.934 67.934 68.685 -0.751 18230 8723 1 19 . 1 1 10 10 THR H H 10 8.407 8.407 8.084 0.323 18230 8724 1 19 . 1 1 11 11 LEU N N 11 119.765 119.765 122.006 -2.241 18230 8725 1 19 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.101 -0.173 18230 8726 1 19 . 1 1 11 11 LEU C C 11 180.896 180.896 179.123 1.773 18230 8727 1 19 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.392 0.889 18230 8728 1 19 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.420 0.180 18230 8729 1 19 . 1 1 11 11 LEU H H 11 8.131 8.131 8.315 -0.184 18230 8730 1 19 . 1 1 12 12 ILE N N 12 119.540 119.540 120.366 -0.826 18230 8731 1 19 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.843 0.112 18230 8732 1 19 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.839 -0.107 18230 8733 1 19 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.675 1.711 18230 8734 1 19 . 1 1 12 12 ILE H H 12 7.715 7.715 8.477 -0.762 18230 8735 1 19 . 1 1 13 13 ASN N N 13 121.587 121.587 118.503 3.084 18230 8736 1 19 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.540 -0.009 18230 8737 1 19 . 1 1 13 13 ASN C C 13 178.867 178.867 178.273 0.594 18230 8738 1 19 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.195 0.234 18230 8739 1 19 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.271 -0.209 18230 8740 1 19 . 1 1 13 13 ASN H H 13 9.040 9.040 8.462 0.578 18230 8741 1 19 . 1 1 14 14 VAL N N 14 120.603 120.603 117.299 3.304 18230 8742 1 19 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.845 -0.038 18230 8743 1 19 . 1 1 14 14 VAL C C 14 177.113 177.113 177.260 -0.147 18230 8744 1 19 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.250 0.258 18230 8745 1 19 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.554 0.043 18230 8746 1 19 . 1 1 14 14 VAL H H 14 8.954 8.954 8.256 0.698 18230 8747 1 19 . 1 1 15 15 PHE N N 15 117.585 117.585 121.520 -3.935 18230 8748 1 19 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.538 -0.079 18230 8749 1 19 . 1 1 15 15 PHE C C 15 177.257 177.257 176.449 0.808 18230 8750 1 19 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.853 0.723 18230 8751 1 19 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.679 0.373 18230 8752 1 19 . 1 1 15 15 PHE H H 15 6.956 6.956 8.362 -1.406 18230 8753 1 19 . 1 1 16 16 HIS N N 16 115.204 115.204 118.643 -3.439 18230 8754 1 19 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.746 1.093 18230 8755 1 19 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.793 -1.315 18230 8756 1 19 . 1 1 16 16 HIS CB C 16 28.920 28.920 30.056 -1.137 18230 8757 1 19 . 1 1 16 16 HIS H H 16 7.736 7.736 8.538 -0.802 18230 8758 1 19 . 1 1 17 17 ALA N N 17 123.201 123.201 122.363 0.838 18230 8759 1 19 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.854 0.182 18230 8760 1 19 . 1 1 17 17 ALA C C 17 178.867 178.867 179.643 -0.776 18230 8761 1 19 . 1 1 17 17 ALA CA C 17 54.145 54.145 55.079 -0.934 18230 8762 1 19 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.108 -0.447 18230 8763 1 19 . 1 1 17 17 ALA H H 17 8.066 8.066 8.032 0.034 18230 8764 1 19 . 1 1 18 18 HIS N N 18 113.974 113.974 116.551 -2.577 18230 8765 1 19 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.166 0.206 18230 8766 1 19 . 1 1 18 18 HIS C C 18 175.568 175.568 177.773 -2.205 18230 8767 1 19 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.661 -2.248 18230 8768 1 19 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.632 3.121 18230 8769 1 19 . 1 1 18 18 HIS H H 18 7.047 7.047 8.333 -1.286 18230 8770 1 19 . 1 1 19 19 SER N N 19 113.745 113.745 115.305 -1.560 18230 8771 1 19 . 1 1 19 19 SER HA H 19 3.658 3.658 3.904 -0.246 18230 8772 1 19 . 1 1 19 19 SER CA C 19 61.247 61.247 60.931 0.316 18230 8773 1 19 . 1 1 19 19 SER CB C 19 61.323 61.323 62.039 -0.716 18230 8774 1 19 . 1 1 19 19 SER H H 19 8.470 8.470 8.111 0.359 18230 8775 1 19 . 1 1 20 20 GLY N N 20 111.711 111.711 108.992 2.719 18230 8776 1 19 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.676 -0.294 18230 8777 1 19 . 1 1 20 20 GLY H H 20 7.739 7.739 7.452 0.287 18230 8778 1 19 . 1 1 21 21 LYS N N 21 122.328 122.328 121.415 0.913 18230 8779 1 19 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.911 0.003 18230 8780 1 19 . 1 1 21 21 LYS C C 21 177.192 177.192 176.966 0.226 18230 8781 1 19 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.020 1.317 18230 8782 1 19 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.828 -0.140 18230 8783 1 19 . 1 1 21 21 LYS H H 21 7.200 7.200 7.437 -0.237 18230 8784 1 19 . 1 1 22 22 GLU N N 22 115.975 115.975 118.030 -2.055 18230 8785 1 19 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.377 0.280 18230 8786 1 19 . 1 1 22 22 GLU C C 22 175.882 175.882 175.587 0.295 18230 8787 1 19 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.206 -1.102 18230 8788 1 19 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.054 0.949 18230 8789 1 19 . 1 1 22 22 GLU H H 22 9.369 9.369 7.698 1.671 18230 8790 1 19 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.255 0.581 18230 8791 1 19 . 1 1 25 25 LYS HA H 25 4.276 4.276 4.211 0.065 18230 8792 1 19 . 1 1 25 25 LYS CA C 25 57.980 57.980 56.213 1.767 18230 8793 1 19 . 1 1 25 25 LYS CB C 25 31.208 31.208 33.098 -1.890 18230 8794 1 19 . 1 1 26 26 TYR N N 26 119.825 119.825 113.530 6.295 18230 8795 1 19 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.183 0.522 18230 8796 1 19 . 1 1 26 26 TYR C C 26 173.696 173.696 174.718 -1.022 18230 8797 1 19 . 1 1 26 26 TYR CA C 26 56.180 56.180 59.208 -3.028 18230 8798 1 19 . 1 1 26 26 TYR CB C 26 38.049 38.049 36.865 1.184 18230 8799 1 19 . 1 1 26 26 TYR H H 26 9.414 9.414 8.260 1.154 18230 8800 1 19 . 1 1 27 27 LYS N N 27 114.922 114.922 118.032 -3.110 18230 8801 1 19 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.849 0.271 18230 8802 1 19 . 1 1 27 27 LYS C C 27 174.678 174.678 174.473 0.205 18230 8803 1 19 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.908 0.082 18230 8804 1 19 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.501 2.340 18230 8805 1 19 . 1 1 27 27 LYS H H 27 7.107 7.107 7.702 -0.595 18230 8806 1 19 . 1 1 28 28 LEU N N 28 125.976 125.976 127.815 -1.839 18230 8807 1 19 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.916 0.268 18230 8808 1 19 . 1 1 28 28 LEU CA C 28 52.775 52.775 53.318 -0.543 18230 8809 1 19 . 1 1 28 28 LEU CB C 28 43.037 43.037 46.248 -3.211 18230 8810 1 19 . 1 1 28 28 LEU H H 28 9.757 9.757 9.185 0.572 18230 8811 1 19 . 1 1 29 29 SER N N 29 121.025 121.025 119.437 1.588 18230 8812 1 19 . 1 1 29 29 SER HA H 29 4.558 4.558 5.003 -0.445 18230 8813 1 19 . 1 1 29 29 SER C C 29 174.338 174.338 175.246 -0.908 18230 8814 1 19 . 1 1 29 29 SER CA C 29 56.208 56.208 55.825 0.383 18230 8815 1 19 . 1 1 29 29 SER CB C 29 65.480 65.480 65.353 0.127 18230 8816 1 19 . 1 1 29 29 SER H H 29 9.908 9.908 8.143 1.765 18230 8817 1 19 . 1 1 30 30 LYS N N 30 120.385 120.385 126.399 -6.014 18230 8818 1 19 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.898 -0.051 18230 8819 1 19 . 1 1 30 30 LYS C C 30 177.859 177.859 178.464 -0.605 18230 8820 1 19 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.808 0.494 18230 8821 1 19 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.488 -0.477 18230 8822 1 19 . 1 1 30 30 LYS H H 30 8.845 8.845 9.134 -0.289 18230 8823 1 19 . 1 1 31 31 LYS N N 31 118.358 118.358 118.066 0.292 18230 8824 1 19 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.005 -0.104 18230 8825 1 19 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.368 0.245 18230 8826 1 19 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.660 1.339 18230 8827 1 19 . 1 1 31 31 LYS H H 31 7.924 7.924 7.638 0.286 18230 8828 1 19 . 1 1 32 32 GLU N N 32 119.355 119.355 120.632 -1.277 18230 8829 1 19 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.309 -0.408 18230 8830 1 19 . 1 1 32 32 GLU CA C 32 58.838 58.838 58.862 -0.024 18230 8831 1 19 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.400 1.263 18230 8832 1 19 . 1 1 32 32 GLU H H 32 7.502 7.502 7.987 -0.485 18230 8833 1 19 . 1 1 33 33 LEU N N 33 119.533 119.533 117.445 2.088 18230 8834 1 19 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.032 -0.124 18230 8835 1 19 . 1 1 33 33 LEU C C 33 177.571 177.571 178.615 -1.044 18230 8836 1 19 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.444 -0.669 18230 8837 1 19 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.009 0.480 18230 8838 1 19 . 1 1 33 33 LEU H H 33 9.076 9.076 8.665 0.411 18230 8839 1 19 . 1 1 34 34 LYS N N 34 119.251 119.251 119.556 -0.305 18230 8840 1 19 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.902 -0.256 18230 8841 1 19 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.404 1.179 18230 8842 1 19 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.962 0.103 18230 8843 1 19 . 1 1 34 34 LYS H H 34 8.262 8.262 8.366 -0.103 18230 8844 1 19 . 1 1 35 35 GLU N N 35 117.642 117.642 119.572 -1.930 18230 8845 1 19 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.128 -0.133 18230 8846 1 19 . 1 1 35 35 GLU C C 35 178.776 178.776 178.860 -0.084 18230 8847 1 19 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.090 0.496 18230 8848 1 19 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.846 -0.897 18230 8849 1 19 . 1 1 35 35 GLU H H 35 7.742 7.742 7.816 -0.074 18230 8850 1 19 . 1 1 36 36 LEU N N 36 124.753 124.753 122.404 2.349 18230 8851 1 19 . 1 1 36 36 LEU HA H 36 2.696 2.696 2.821 -0.125 18230 8852 1 19 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.198 2.499 18230 8853 1 19 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.749 0.219 18230 8854 1 19 . 1 1 36 36 LEU H H 36 8.304 8.304 8.172 0.132 18230 8855 1 19 . 1 1 37 37 LEU N N 37 119.058 119.058 117.942 1.116 18230 8856 1 19 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.976 -0.249 18230 8857 1 19 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.060 0.252 18230 8858 1 19 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.800 1.000 18230 8859 1 19 . 1 1 37 37 LEU H H 37 8.684 8.684 8.462 0.222 18230 8860 1 19 . 1 1 38 38 GLN N N 38 114.728 114.728 116.944 -2.216 18230 8861 1 19 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.269 -0.328 18230 8862 1 19 . 1 1 38 38 GLN C C 38 177.584 177.584 178.209 -0.625 18230 8863 1 19 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.612 -0.134 18230 8864 1 19 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.796 0.231 18230 8865 1 19 . 1 1 38 38 GLN H H 38 8.510 8.510 7.683 0.827 18230 8866 1 19 . 1 1 39 39 THR N N 39 110.419 110.419 110.874 -0.455 18230 8867 1 19 . 1 1 39 39 THR HA H 39 4.238 4.238 4.231 0.007 18230 8868 1 19 . 1 1 39 39 THR C C 39 176.341 176.341 175.865 0.476 18230 8869 1 19 . 1 1 39 39 THR CA C 39 64.874 64.874 64.726 0.148 18230 8870 1 19 . 1 1 39 39 THR CB C 39 69.919 69.919 68.977 0.942 18230 8871 1 19 . 1 1 39 39 THR H H 39 7.863 7.863 8.076 -0.213 18230 8872 1 19 . 1 1 40 40 GLU N N 40 117.514 117.514 120.358 -2.844 18230 8873 1 19 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.449 0.304 18230 8874 1 19 . 1 1 40 40 GLU C C 40 177.807 177.807 176.925 0.882 18230 8875 1 19 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.401 -0.919 18230 8876 1 19 . 1 1 40 40 GLU CB C 40 31.789 31.789 30.872 0.917 18230 8877 1 19 . 1 1 40 40 GLU H H 40 8.468 8.468 8.157 0.311 18230 8878 1 19 . 1 1 41 41 LEU N N 41 121.141 121.141 121.006 0.135 18230 8879 1 19 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.663 0.350 18230 8880 1 19 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.330 -1.500 18230 8881 1 19 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.376 0.247 18230 8882 1 19 . 1 1 41 41 LEU H H 41 7.682 7.682 8.419 -0.737 18230 8883 1 19 . 1 1 42 42 SER N N 42 116.557 116.557 118.032 -1.475 18230 8884 1 19 . 1 1 42 42 SER HA H 42 4.055 4.055 4.481 -0.426 18230 8885 1 19 . 1 1 42 42 SER C C 42 176.537 176.537 176.490 0.047 18230 8886 1 19 . 1 1 42 42 SER CA C 42 61.552 61.552 60.464 1.088 18230 8887 1 19 . 1 1 42 42 SER CB C 42 62.783 62.783 64.624 -1.841 18230 8888 1 19 . 1 1 42 42 SER H H 42 8.186 8.186 8.826 -0.640 18230 8889 1 19 . 1 1 43 43 GLY N N 43 111.517 111.517 110.935 0.582 18230 8890 1 19 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.867 -0.820 18230 8891 1 19 . 1 1 43 43 GLY H H 43 8.880 8.880 8.827 0.053 18230 8892 1 19 . 1 1 44 44 PHE N N 44 122.405 122.405 119.972 2.433 18230 8893 1 19 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.157 0.200 18230 8894 1 19 . 1 1 44 44 PHE C C 44 176.851 176.851 177.506 -0.655 18230 8895 1 19 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.264 -1.429 18230 8896 1 19 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.636 0.983 18230 8897 1 19 . 1 1 44 44 PHE H H 44 7.972 7.972 8.010 -0.038 18230 8898 1 19 . 1 1 45 45 LEU N N 45 119.444 119.444 118.805 0.639 18230 8899 1 19 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.122 -0.193 18230 8900 1 19 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.969 -0.706 18230 8901 1 19 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.273 0.685 18230 8902 1 19 . 1 1 45 45 LEU H H 45 8.148 8.148 7.731 0.417 18230 8903 1 19 . 1 1 46 46 ASP N N 46 120.023 120.023 119.848 0.175 18230 8904 1 19 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.365 0.011 18230 8905 1 19 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.791 -1.109 18230 8906 1 19 . 1 1 46 46 ASP CB C 46 40.788 40.788 41.014 -0.227 18230 8907 1 19 . 1 1 46 46 ASP H H 46 8.307 8.307 8.494 -0.187 18230 8908 1 19 . 1 1 47 47 ALA N N 47 121.156 121.156 121.394 -0.238 18230 8909 1 19 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.074 0.082 18230 8910 1 19 . 1 1 47 47 ALA CA C 47 52.913 52.913 54.487 -1.574 18230 8911 1 19 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.286 0.368 18230 8912 1 19 . 1 1 47 47 ALA H H 47 7.606 7.606 7.928 -0.322 18230 8913 1 19 . 1 1 48 48 GLN N N 48 116.408 116.408 116.670 -0.262 18230 8914 1 19 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.134 0.002 18230 8915 1 19 . 1 1 48 48 GLN C C 48 175.882 175.882 177.465 -1.583 18230 8916 1 19 . 1 1 48 48 GLN CA C 48 55.362 55.362 56.491 -1.129 18230 8917 1 19 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.906 -0.424 18230 8918 1 19 . 1 1 48 48 GLN H H 48 7.665 7.665 7.988 -0.323 18230 8919 1 19 . 1 1 49 49 LYS HA H 49 4.129 4.129 3.991 0.138 18230 8920 1 19 . 1 1 49 49 LYS CA C 49 56.706 56.706 58.343 -1.637 18230 8921 1 19 . 1 1 49 49 LYS CB C 49 32.298 32.298 31.229 1.069 18230 8922 1 19 . 1 1 50 50 ASP N N 50 118.824 118.824 120.744 -1.920 18230 8923 1 19 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.660 -0.112 18230 8924 1 19 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.119 -0.154 18230 8925 1 19 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.239 0.796 18230 8926 1 19 . 1 1 50 50 ASP H H 50 7.982 7.982 7.997 -0.015 18230 8927 1 19 . 1 1 51 51 VAL N N 51 121.055 121.055 120.815 0.240 18230 8928 1 19 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.908 0.043 18230 8929 1 19 . 1 1 51 51 VAL CA C 51 63.656 63.656 65.058 -1.401 18230 8930 1 19 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.711 0.289 18230 8931 1 19 . 1 1 51 51 VAL H H 51 8.231 8.231 8.316 -0.085 18230 8932 1 19 . 1 1 52 52 ASP N N 52 121.189 121.189 121.422 -0.233 18230 8933 1 19 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.408 0.351 18230 8934 1 19 . 1 1 52 52 ASP C C 52 176.367 176.367 177.931 -1.564 18230 8935 1 19 . 1 1 52 52 ASP CA C 52 53.716 53.716 57.065 -3.349 18230 8936 1 19 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.572 0.827 18230 8937 1 19 . 1 1 52 52 ASP H H 52 8.410 8.410 8.762 -0.352 18230 8938 1 19 . 1 1 53 53 ALA N N 53 123.582 123.582 122.752 0.830 18230 8939 1 19 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.019 -0.087 18230 8940 1 19 . 1 1 53 53 ALA C C 53 179.208 179.208 179.110 0.098 18230 8941 1 19 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.108 0.159 18230 8942 1 19 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.375 0.782 18230 8943 1 19 . 1 1 53 53 ALA H H 53 7.755 7.755 7.279 0.476 18230 8944 1 19 . 1 1 54 54 VAL N N 54 116.235 116.235 118.372 -2.137 18230 8945 1 19 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.726 -0.271 18230 8946 1 19 . 1 1 54 54 VAL C C 54 176.432 176.432 177.028 -0.596 18230 8947 1 19 . 1 1 54 54 VAL CA C 54 66.244 66.244 65.930 0.314 18230 8948 1 19 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.177 -0.413 18230 8949 1 19 . 1 1 54 54 VAL H H 54 8.300 8.300 7.681 0.619 18230 8950 1 19 . 1 1 55 55 ASP N N 55 120.594 120.594 120.058 0.536 18230 8951 1 19 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.367 -0.212 18230 8952 1 19 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.765 -0.181 18230 8953 1 19 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.131 0.699 18230 8954 1 19 . 1 1 55 55 ASP H H 55 7.684 7.684 7.679 0.005 18230 8955 1 19 . 1 1 56 56 LYS N N 56 119.178 119.178 120.230 -1.052 18230 8956 1 19 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.046 -0.118 18230 8957 1 19 . 1 1 56 56 LYS C C 56 178.697 178.697 179.294 -0.597 18230 8958 1 19 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.431 0.072 18230 8959 1 19 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.551 -0.261 18230 8960 1 19 . 1 1 56 56 LYS H H 56 7.638 7.638 8.032 -0.394 18230 8961 1 19 . 1 1 57 57 VAL N N 57 119.870 119.870 119.171 0.699 18230 8962 1 19 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.781 -0.057 18230 8963 1 19 . 1 1 57 57 VAL C C 57 177.558 177.558 178.388 -0.830 18230 8964 1 19 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.501 -0.575 18230 8965 1 19 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.695 -0.548 18230 8966 1 19 . 1 1 57 57 VAL H H 57 7.928 7.928 8.234 -0.306 18230 8967 1 19 . 1 1 58 58 MET N N 58 118.736 118.736 118.531 0.205 18230 8968 1 19 . 1 1 58 58 MET HA H 58 3.928 3.928 4.209 -0.281 18230 8969 1 19 . 1 1 58 58 MET C C 58 177.021 177.021 177.824 -0.803 18230 8970 1 19 . 1 1 58 58 MET CA C 58 58.534 58.534 58.829 -0.295 18230 8971 1 19 . 1 1 58 58 MET CB C 58 32.065 32.065 32.194 -0.129 18230 8972 1 19 . 1 1 58 58 MET H H 58 8.443 8.443 8.406 0.037 18230 8973 1 19 . 1 1 59 59 LYS N N 59 116.214 116.214 118.555 -2.341 18230 8974 1 19 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.980 -0.012 18230 8975 1 19 . 1 1 59 59 LYS C C 59 178.893 178.893 178.546 0.347 18230 8976 1 19 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.714 -0.848 18230 8977 1 19 . 1 1 59 59 LYS CB C 59 32.065 32.065 32.162 -0.097 18230 8978 1 19 . 1 1 59 59 LYS H H 59 7.629 7.629 8.126 -0.497 18230 8979 1 19 . 1 1 60 60 GLU N N 60 117.288 117.288 116.944 0.344 18230 8980 1 19 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.151 -0.116 18230 8981 1 19 . 1 1 60 60 GLU C C 60 178.173 178.173 178.460 -0.287 18230 8982 1 19 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.363 -0.134 18230 8983 1 19 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.617 0.189 18230 8984 1 19 . 1 1 60 60 GLU H H 60 7.599 7.599 7.503 0.096 18230 8985 1 19 . 1 1 61 61 LEU N N 61 116.163 116.163 118.898 -2.735 18230 8986 1 19 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.168 0.202 18230 8987 1 19 . 1 1 61 61 LEU C C 61 178.893 178.893 177.740 1.153 18230 8988 1 19 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.236 -0.997 18230 8989 1 19 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.217 1.724 18230 8990 1 19 . 1 1 61 61 LEU H H 61 8.060 8.060 7.269 0.791 18230 8991 1 19 . 1 1 62 62 ASP N N 62 116.934 116.934 117.942 -1.008 18230 8992 1 19 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.962 -0.296 18230 8993 1 19 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.600 -0.355 18230 8994 1 19 . 1 1 62 62 ASP CB C 62 39.009 39.009 40.280 -1.271 18230 8995 1 19 . 1 1 62 62 ASP H H 62 8.012 8.012 8.014 -0.002 18230 8996 1 19 . 1 1 63 63 GLU N N 63 129.388 129.388 127.123 2.265 18230 8997 1 19 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.019 0.003 18230 8998 1 19 . 1 1 63 63 GLU C C 63 177.519 177.519 177.975 -0.456 18230 8999 1 19 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.867 -0.195 18230 9000 1 19 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.945 0.562 18230 9001 1 19 . 1 1 63 63 GLU H H 63 8.356 8.356 8.458 -0.102 18230 9002 1 19 . 1 1 64 64 ASN N N 64 112.751 112.751 116.602 -3.851 18230 9003 1 19 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.540 0.193 18230 9004 1 19 . 1 1 64 64 ASN C C 64 176.498 176.498 175.936 0.562 18230 9005 1 19 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.360 -2.471 18230 9006 1 19 . 1 1 64 64 ASN CB C 64 37.172 37.172 38.913 -1.740 18230 9007 1 19 . 1 1 64 64 ASN H H 64 7.997 7.997 7.994 0.003 18230 9008 1 19 . 1 1 65 65 GLY N N 65 109.265 109.265 107.068 2.197 18230 9009 1 19 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.465 1.938 18230 9010 1 19 . 1 1 65 65 GLY H H 65 7.552 7.552 8.119 -0.567 18230 9011 1 19 . 1 1 66 66 ASP N N 66 119.331 119.331 121.391 -2.060 18230 9012 1 19 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.577 -0.045 18230 9013 1 19 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.945 0.245 18230 9014 1 19 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.605 -0.362 18230 9015 1 19 . 1 1 66 66 ASP H H 66 8.124 8.124 8.020 0.104 18230 9016 1 19 . 1 1 67 67 GLY N N 67 113.348 113.348 108.726 4.622 18230 9017 1 19 . 1 1 67 67 GLY CA C 67 45.604 45.604 46.001 -0.397 18230 9018 1 19 . 1 1 67 67 GLY H H 67 10.285 10.285 9.200 1.085 18230 9019 1 19 . 1 1 68 68 GLU N N 68 117.060 117.060 119.759 -2.699 18230 9020 1 19 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.828 -0.027 18230 9021 1 19 . 1 1 68 68 GLU C C 68 175.176 175.176 175.248 -0.072 18230 9022 1 19 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.446 0.064 18230 9023 1 19 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.420 3.803 18230 9024 1 19 . 1 1 68 68 GLU H H 68 7.732 7.732 8.783 -1.051 18230 9025 1 19 . 1 1 69 69 VAL N N 69 125.264 125.264 125.501 -0.237 18230 9026 1 19 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.794 0.446 18230 9027 1 19 . 1 1 69 69 VAL C C 69 175.961 175.961 175.275 0.686 18230 9028 1 19 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.123 1.021 18230 9029 1 19 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.086 0.599 18230 9030 1 19 . 1 1 69 69 VAL H H 69 9.392 9.392 8.861 0.531 18230 9031 1 19 . 1 1 70 70 ASP N N 70 129.378 129.378 125.646 3.732 18230 9032 1 19 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.952 0.209 18230 9033 1 19 . 1 1 70 70 ASP C C 70 175.032 175.032 176.572 -1.540 18230 9034 1 19 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.610 -0.195 18230 9035 1 19 . 1 1 70 70 ASP CB C 70 41.839 41.839 42.511 -0.673 18230 9036 1 19 . 1 1 70 70 ASP H H 70 9.112 9.112 8.688 0.424 18230 9037 1 19 . 1 1 71 71 PHE N N 71 118.452 118.452 120.955 -2.503 18230 9038 1 19 . 1 1 71 71 PHE HA H 71 2.913 2.913 2.941 -0.028 18230 9039 1 19 . 1 1 71 71 PHE C C 71 176.576 176.576 176.790 -0.214 18230 9040 1 19 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.583 2.852 18230 9041 1 19 . 1 1 71 71 PHE CB C 71 39.231 39.231 39.121 0.110 18230 9042 1 19 . 1 1 71 71 PHE H H 71 8.948 8.948 8.994 -0.046 18230 9043 1 19 . 1 1 72 72 GLN N N 72 116.934 116.934 118.455 -1.521 18230 9044 1 19 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.825 -0.138 18230 9045 1 19 . 1 1 72 72 GLN C C 72 178.056 178.056 178.327 -0.271 18230 9046 1 19 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.424 0.169 18230 9047 1 19 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.133 0.031 18230 9048 1 19 . 1 1 72 72 GLN H H 72 8.012 8.012 8.397 -0.385 18230 9049 1 19 . 1 1 73 73 GLU N N 73 120.208 120.208 120.571 -0.363 18230 9050 1 19 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.018 0.048 18230 9051 1 19 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.656 -1.150 18230 9052 1 19 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.783 0.334 18230 9053 1 19 . 1 1 73 73 GLU H H 73 8.308 8.308 9.703 -1.395 18230 9054 1 19 . 1 1 74 74 TYR N N 74 121.623 121.623 121.495 0.128 18230 9055 1 19 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.190 -0.101 18230 9056 1 19 . 1 1 74 74 TYR C C 74 176.485 176.485 177.504 -1.019 18230 9057 1 19 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.708 -2.233 18230 9058 1 19 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.707 -0.701 18230 9059 1 19 . 1 1 74 74 TYR H H 74 8.339 8.339 8.475 -0.136 18230 9060 1 19 . 1 1 75 75 VAL N N 75 120.827 120.827 119.421 1.406 18230 9061 1 19 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.573 -0.699 18230 9062 1 19 . 1 1 75 75 VAL C C 75 176.563 176.563 177.594 -1.031 18230 9063 1 19 . 1 1 75 75 VAL CA C 75 66.354 66.354 67.067 -0.713 18230 9064 1 19 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.953 -1.302 18230 9065 1 19 . 1 1 75 75 VAL H H 75 8.088 8.088 8.354 -0.266 18230 9066 1 19 . 1 1 76 76 VAL N N 76 120.216 120.216 118.201 2.015 18230 9067 1 19 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.671 -0.256 18230 9068 1 19 . 1 1 76 76 VAL C C 76 178.645 178.645 177.285 1.360 18230 9069 1 19 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.261 0.597 18230 9070 1 19 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.195 0.105 18230 9071 1 19 . 1 1 76 76 VAL H H 76 7.132 7.132 7.975 -0.843 18230 9072 1 19 . 1 1 77 77 LEU N N 77 120.900 120.900 121.851 -0.951 18230 9073 1 19 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.889 0.139 18230 9074 1 19 . 1 1 77 77 LEU C C 77 177.362 177.362 178.222 -0.860 18230 9075 1 19 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.340 -0.665 18230 9076 1 19 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.578 -1.023 18230 9077 1 19 . 1 1 77 77 LEU H H 77 6.860 6.860 7.828 -0.968 18230 9078 1 19 . 1 1 78 78 VAL N N 78 116.991 116.991 115.696 1.295 18230 9079 1 19 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.468 -0.345 18230 9080 1 19 . 1 1 78 78 VAL C C 78 179.142 179.142 177.871 1.271 18230 9081 1 19 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.911 0.917 18230 9082 1 19 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.533 0.768 18230 9083 1 19 . 1 1 78 78 VAL H H 78 7.519 7.519 7.967 -0.448 18230 9084 1 19 . 1 1 79 79 ALA N N 79 124.679 124.679 123.755 0.924 18230 9085 1 19 . 1 1 79 79 ALA HA H 79 3.687 3.687 3.996 -0.309 18230 9086 1 19 . 1 1 79 79 ALA C C 79 178.213 178.213 179.057 -0.844 18230 9087 1 19 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.944 1.064 18230 9088 1 19 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.337 -0.520 18230 9089 1 19 . 1 1 79 79 ALA H H 79 8.964 8.964 8.227 0.737 18230 9090 1 19 . 1 1 80 80 ALA N N 80 120.376 120.376 121.482 -1.106 18230 9091 1 19 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.066 -0.032 18230 9092 1 19 . 1 1 80 80 ALA C C 80 181.852 181.852 179.648 2.204 18230 9093 1 19 . 1 1 80 80 ALA CA C 80 55.283 55.283 55.001 0.282 18230 9094 1 19 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.336 -0.536 18230 9095 1 19 . 1 1 80 80 ALA H H 80 7.794 7.794 8.402 -0.608 18230 9096 1 19 . 1 1 81 81 LEU N N 81 119.275 119.275 118.486 0.789 18230 9097 1 19 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.017 0.023 18230 9098 1 19 . 1 1 81 81 LEU C C 81 179.168 179.168 179.274 -0.106 18230 9099 1 19 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.760 -0.415 18230 9100 1 19 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.092 0.553 18230 9101 1 19 . 1 1 81 81 LEU H H 81 8.494 8.494 8.265 0.229 18230 9102 1 19 . 1 1 82 82 THR N N 82 119.781 119.781 116.483 3.298 18230 9103 1 19 . 1 1 82 82 THR HA H 82 3.800 3.800 3.888 -0.088 18230 9104 1 19 . 1 1 82 82 THR CA C 82 68.473 68.473 67.406 1.067 18230 9105 1 19 . 1 1 82 82 THR CB C 82 67.796 67.796 68.638 -0.842 18230 9106 1 19 . 1 1 82 82 THR H H 82 8.418 8.418 7.879 0.539 18230 9107 1 19 . 1 1 83 83 VAL N N 83 122.419 122.419 121.563 0.856 18230 9108 1 19 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.752 -0.050 18230 9109 1 19 . 1 1 83 83 VAL C C 83 177.781 177.781 176.746 1.035 18230 9110 1 19 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.123 2.188 18230 9111 1 19 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.106 0.569 18230 9112 1 19 . 1 1 83 83 VAL H H 83 8.164 8.164 8.115 0.049 18230 9113 1 19 . 1 1 84 84 ALA N N 84 121.470 121.470 122.221 -0.751 18230 9114 1 19 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.132 0.016 18230 9115 1 19 . 1 1 84 84 ALA C C 84 180.032 180.032 179.748 0.284 18230 9116 1 19 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.217 -0.112 18230 9117 1 19 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.983 -0.185 18230 9118 1 19 . 1 1 84 84 ALA H H 84 7.877 7.877 8.385 -0.508 18230 9119 1 19 . 1 1 85 85 CYS N N 85 117.473 117.473 119.195 -1.722 18230 9120 1 19 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.351 0.073 18230 9121 1 19 . 1 1 85 85 CYS C C 85 176.092 176.092 176.774 -0.682 18230 9122 1 19 . 1 1 85 85 CYS CA C 85 57.980 57.980 62.791 -4.811 18230 9123 1 19 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.253 14.302 18230 9124 1 19 . 1 1 85 85 CYS H H 85 8.370 8.370 8.261 0.109 18230 9125 1 19 . 1 1 86 86 ASN N N 86 119.886 119.886 118.751 1.135 18230 9126 1 19 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.497 -0.261 18230 9127 1 19 . 1 1 86 86 ASN CA C 86 57.260 57.260 57.055 0.205 18230 9128 1 19 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.466 1.212 18230 9129 1 19 . 1 1 87 87 ASN N N 87 117.136 117.136 118.528 -1.392 18230 9130 1 19 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.571 -0.171 18230 9131 1 19 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.078 -1.046 18230 9132 1 19 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.032 -0.203 18230 9133 1 19 . 1 1 87 87 ASN H H 87 8.136 8.136 8.464 -0.328 18230 9134 1 19 . 1 1 88 88 PHE N N 88 119.001 119.001 121.105 -2.104 18230 9135 1 19 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.289 0.001 18230 9136 1 19 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.513 -1.816 18230 9137 1 19 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.244 -0.038 18230 9138 1 19 . 1 1 88 88 PHE H H 88 7.865 7.865 8.167 -0.302 18230 9139 1 19 . 1 1 89 89 PHE N N 89 118.050 118.050 119.648 -1.598 18230 9140 1 19 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.173 0.037 18230 9141 1 19 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.600 -2.100 18230 9142 1 19 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.444 0.043 18230 9143 1 19 . 1 1 89 89 PHE H H 89 7.924 7.924 8.562 -0.638 18230 9144 1 19 . 1 1 90 90 TRP N N 90 119.104 119.104 119.786 -0.682 18230 9145 1 19 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.353 0.123 18230 9146 1 19 . 1 1 90 90 TRP CA C 90 57.688 57.688 60.160 -2.471 18230 9147 1 19 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.339 -0.845 18230 9148 1 19 . 1 1 90 90 TRP H H 90 7.848 7.848 8.415 -0.567 18230 9149 1 19 . 1 1 91 91 GLU N N 91 120.457 120.457 119.707 0.750 18230 9150 1 19 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.423 -0.294 18230 9151 1 19 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.532 1.507 18230 9152 1 19 . 1 1 91 91 GLU CB C 91 30.033 30.033 30.845 -0.812 18230 9153 1 19 . 1 1 91 91 GLU H H 91 7.816 7.816 8.016 -0.200 18230 9154 1 19 . 1 1 92 92 ASN N N 92 125.418 125.418 121.215 4.203 18230 9155 1 19 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.282 0.128 18230 9156 1 19 . 1 1 92 92 ASN CA C 92 54.731 54.731 53.762 0.969 18230 9157 1 19 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.072 3.002 18230 9158 1 19 . 1 1 92 92 ASN H H 92 7.846 7.846 8.709 -0.863 18230 9159 1 20 . 1 1 2 2 SER HA H 2 4.757 4.757 4.766 -0.009 18230 9160 1 20 . 1 1 2 2 SER CA C 2 57.482 57.482 56.778 0.704 18230 9161 1 20 . 1 1 2 2 SER CB C 2 64.893 64.893 66.580 -1.687 18230 9162 1 20 . 1 1 3 3 GLU N N 3 123.948 123.948 122.285 1.663 18230 9163 1 20 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.078 0.047 18230 9164 1 20 . 1 1 3 3 GLU C C 3 179.443 179.443 178.890 0.553 18230 9165 1 20 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.262 1.038 18230 9166 1 20 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.565 0.007 18230 9167 1 20 . 1 1 3 3 GLU H H 3 9.442 9.442 8.935 0.507 18230 9168 1 20 . 1 1 4 4 LEU N N 4 120.236 120.236 120.412 -0.176 18230 9169 1 20 . 1 1 4 4 LEU HA H 4 4.075 4.075 3.976 0.099 18230 9170 1 20 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.557 0.534 18230 9171 1 20 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.742 0.760 18230 9172 1 20 . 1 1 4 4 LEU H H 4 8.907 8.907 8.151 0.756 18230 9173 1 20 . 1 1 5 5 GLU N N 5 119.034 119.034 118.708 0.326 18230 9174 1 20 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.015 -0.047 18230 9175 1 20 . 1 1 5 5 GLU C C 5 179.234 179.234 178.872 0.362 18230 9176 1 20 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.480 0.660 18230 9177 1 20 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.501 -0.085 18230 9178 1 20 . 1 1 5 5 GLU H H 5 8.296 8.296 7.821 0.475 18230 9179 1 20 . 1 1 6 6 THR N N 6 116.586 116.586 116.570 0.016 18230 9180 1 20 . 1 1 6 6 THR HA H 6 4.008 4.008 4.038 -0.030 18230 9181 1 20 . 1 1 6 6 THR CA C 6 66.397 66.397 66.588 -0.191 18230 9182 1 20 . 1 1 6 6 THR CB C 6 68.595 68.595 68.401 0.194 18230 9183 1 20 . 1 1 6 6 THR H H 6 8.282 8.282 8.028 0.254 18230 9184 1 20 . 1 1 7 7 ALA N N 7 126.275 126.275 124.741 1.534 18230 9185 1 20 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.091 0.092 18230 9186 1 20 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.099 0.514 18230 9187 1 20 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.134 -0.194 18230 9188 1 20 . 1 1 7 7 ALA H H 7 8.141 8.141 8.146 -0.005 18230 9189 1 20 . 1 1 8 8 MET N N 8 117.071 117.071 118.095 -1.024 18230 9190 1 20 . 1 1 8 8 MET HA H 8 3.834 3.834 4.001 -0.167 18230 9191 1 20 . 1 1 8 8 MET C C 8 177.846 177.846 178.830 -0.984 18230 9192 1 20 . 1 1 8 8 MET CA C 8 60.757 60.757 59.687 1.070 18230 9193 1 20 . 1 1 8 8 MET CB C 8 34.012 34.012 32.518 1.494 18230 9194 1 20 . 1 1 8 8 MET H H 8 8.269 8.269 8.235 0.034 18230 9195 1 20 . 1 1 9 9 GLU N N 9 117.667 117.667 118.907 -1.240 18230 9196 1 20 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.038 -0.110 18230 9197 1 20 . 1 1 9 9 GLU C C 9 178.933 178.933 179.198 -0.265 18230 9198 1 20 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.853 0.010 18230 9199 1 20 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.472 -0.211 18230 9200 1 20 . 1 1 9 9 GLU H H 9 8.105 8.105 8.636 -0.531 18230 9201 1 20 . 1 1 10 10 THR N N 10 118.326 118.326 117.576 0.750 18230 9202 1 20 . 1 1 10 10 THR HA H 10 4.075 4.075 4.091 -0.016 18230 9203 1 20 . 1 1 10 10 THR CA C 10 67.311 67.311 66.711 0.600 18230 9204 1 20 . 1 1 10 10 THR CB C 10 67.934 67.934 68.429 -0.495 18230 9205 1 20 . 1 1 10 10 THR H H 10 8.407 8.407 8.175 0.232 18230 9206 1 20 . 1 1 11 11 LEU N N 11 119.765 119.765 121.906 -2.141 18230 9207 1 20 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.092 -0.164 18230 9208 1 20 . 1 1 11 11 LEU C C 11 180.896 180.896 179.341 1.555 18230 9209 1 20 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.413 0.868 18230 9210 1 20 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.340 0.260 18230 9211 1 20 . 1 1 11 11 LEU H H 11 8.131 8.131 8.253 -0.122 18230 9212 1 20 . 1 1 12 12 ILE N N 12 119.540 119.540 120.254 -0.714 18230 9213 1 20 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.853 0.102 18230 9214 1 20 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.804 -0.072 18230 9215 1 20 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.654 1.732 18230 9216 1 20 . 1 1 12 12 ILE H H 12 7.715 7.715 8.476 -0.761 18230 9217 1 20 . 1 1 13 13 ASN N N 13 121.587 121.587 118.948 2.639 18230 9218 1 20 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.539 -0.008 18230 9219 1 20 . 1 1 13 13 ASN C C 13 178.867 178.867 178.176 0.691 18230 9220 1 20 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.257 0.172 18230 9221 1 20 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.046 0.016 18230 9222 1 20 . 1 1 13 13 ASN H H 13 9.040 9.040 8.529 0.511 18230 9223 1 20 . 1 1 14 14 VAL N N 14 120.603 120.603 117.730 2.873 18230 9224 1 20 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.705 0.102 18230 9225 1 20 . 1 1 14 14 VAL C C 14 177.113 177.113 177.111 0.002 18230 9226 1 20 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.165 0.343 18230 9227 1 20 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.286 0.311 18230 9228 1 20 . 1 1 14 14 VAL H H 14 8.954 8.954 8.211 0.743 18230 9229 1 20 . 1 1 15 15 PHE N N 15 117.585 117.585 122.355 -4.770 18230 9230 1 20 . 1 1 15 15 PHE HA H 15 3.459 3.459 4.010 -0.551 18230 9231 1 20 . 1 1 15 15 PHE C C 15 177.257 177.257 177.170 0.087 18230 9232 1 20 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.012 1.564 18230 9233 1 20 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.506 0.546 18230 9234 1 20 . 1 1 15 15 PHE H H 15 6.956 6.956 8.304 -1.348 18230 9235 1 20 . 1 1 16 16 HIS N N 16 115.204 115.204 119.839 -4.635 18230 9236 1 20 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.971 0.868 18230 9237 1 20 . 1 1 16 16 HIS CA C 16 58.478 58.478 58.934 -0.456 18230 9238 1 20 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.728 -0.808 18230 9239 1 20 . 1 1 16 16 HIS H H 16 7.736 7.736 8.593 -0.857 18230 9240 1 20 . 1 1 17 17 ALA N N 17 123.201 123.201 121.506 1.695 18230 9241 1 20 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.802 0.234 18230 9242 1 20 . 1 1 17 17 ALA C C 17 178.867 178.867 179.373 -0.506 18230 9243 1 20 . 1 1 17 17 ALA CA C 17 54.145 54.145 55.055 -0.910 18230 9244 1 20 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.042 -0.381 18230 9245 1 20 . 1 1 17 17 ALA H H 17 8.066 8.066 7.977 0.089 18230 9246 1 20 . 1 1 18 18 HIS N N 18 113.974 113.974 115.371 -1.397 18230 9247 1 20 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.220 0.152 18230 9248 1 20 . 1 1 18 18 HIS C C 18 175.568 175.568 177.303 -1.735 18230 9249 1 20 . 1 1 18 18 HIS CA C 18 57.413 57.413 57.532 -0.119 18230 9250 1 20 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.588 3.165 18230 9251 1 20 . 1 1 18 18 HIS H H 18 7.047 7.047 8.266 -1.219 18230 9252 1 20 . 1 1 19 19 SER N N 19 113.745 113.745 116.364 -2.619 18230 9253 1 20 . 1 1 19 19 SER HA H 19 3.658 3.658 3.976 -0.318 18230 9254 1 20 . 1 1 19 19 SER CA C 19 61.247 61.247 60.445 0.802 18230 9255 1 20 . 1 1 19 19 SER CB C 19 61.323 61.323 62.139 -0.816 18230 9256 1 20 . 1 1 19 19 SER H H 19 8.470 8.470 7.797 0.673 18230 9257 1 20 . 1 1 20 20 GLY N N 20 111.711 111.711 108.791 2.920 18230 9258 1 20 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.625 -0.243 18230 9259 1 20 . 1 1 20 20 GLY H H 20 7.739 7.739 7.474 0.265 18230 9260 1 20 . 1 1 21 21 LYS N N 21 122.328 122.328 120.953 1.375 18230 9261 1 20 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.923 -0.009 18230 9262 1 20 . 1 1 21 21 LYS C C 21 177.192 177.192 177.186 0.006 18230 9263 1 20 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.255 1.082 18230 9264 1 20 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.784 -0.096 18230 9265 1 20 . 1 1 21 21 LYS H H 21 7.200 7.200 7.535 -0.335 18230 9266 1 20 . 1 1 22 22 GLU N N 22 115.975 115.975 117.635 -1.660 18230 9267 1 20 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.394 0.263 18230 9268 1 20 . 1 1 22 22 GLU C C 22 175.882 175.882 175.278 0.604 18230 9269 1 20 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.236 -1.132 18230 9270 1 20 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.788 0.215 18230 9271 1 20 . 1 1 22 22 GLU H H 22 9.369 9.369 7.774 1.595 18230 9272 1 20 . 1 1 23 23 GLY CA C 23 45.836 45.836 44.523 1.313 18230 9273 1 20 . 1 1 25 25 LYS HA H 25 4.276 4.276 3.896 0.380 18230 9274 1 20 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.858 -0.878 18230 9275 1 20 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.431 -1.223 18230 9276 1 20 . 1 1 26 26 TYR N N 26 119.825 119.825 114.834 4.991 18230 9277 1 20 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.783 -0.078 18230 9278 1 20 . 1 1 26 26 TYR C C 26 173.696 173.696 175.012 -1.316 18230 9279 1 20 . 1 1 26 26 TYR CA C 26 56.180 56.180 57.800 -1.620 18230 9280 1 20 . 1 1 26 26 TYR CB C 26 38.049 38.049 37.890 0.159 18230 9281 1 20 . 1 1 26 26 TYR H H 26 9.414 9.414 7.888 1.526 18230 9282 1 20 . 1 1 27 27 LYS N N 27 114.922 114.922 120.102 -5.180 18230 9283 1 20 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.806 0.314 18230 9284 1 20 . 1 1 27 27 LYS C C 27 174.678 174.678 173.947 0.731 18230 9285 1 20 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.939 0.051 18230 9286 1 20 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.772 2.069 18230 9287 1 20 . 1 1 27 27 LYS H H 27 7.107 7.107 7.846 -0.739 18230 9288 1 20 . 1 1 28 28 LEU N N 28 125.976 125.976 126.785 -0.809 18230 9289 1 20 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.919 0.265 18230 9290 1 20 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.659 0.116 18230 9291 1 20 . 1 1 28 28 LEU CB C 28 43.037 43.037 46.144 -3.107 18230 9292 1 20 . 1 1 28 28 LEU H H 28 9.757 9.757 9.100 0.657 18230 9293 1 20 . 1 1 29 29 SER N N 29 121.025 121.025 119.789 1.236 18230 9294 1 20 . 1 1 29 29 SER HA H 29 4.558 4.558 5.000 -0.442 18230 9295 1 20 . 1 1 29 29 SER C C 29 174.338 174.338 175.396 -1.058 18230 9296 1 20 . 1 1 29 29 SER CA C 29 56.208 56.208 55.791 0.417 18230 9297 1 20 . 1 1 29 29 SER CB C 29 65.480 65.480 66.127 -0.647 18230 9298 1 20 . 1 1 29 29 SER H H 29 9.908 9.908 8.100 1.808 18230 9299 1 20 . 1 1 30 30 LYS N N 30 120.385 120.385 122.975 -2.590 18230 9300 1 20 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.855 -0.008 18230 9301 1 20 . 1 1 30 30 LYS C C 30 177.859 177.859 178.386 -0.527 18230 9302 1 20 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.969 0.333 18230 9303 1 20 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.342 -0.331 18230 9304 1 20 . 1 1 30 30 LYS H H 30 8.845 8.845 9.103 -0.258 18230 9305 1 20 . 1 1 31 31 LYS N N 31 118.358 118.358 116.708 1.650 18230 9306 1 20 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.017 -0.116 18230 9307 1 20 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.148 0.465 18230 9308 1 20 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.780 1.219 18230 9309 1 20 . 1 1 31 31 LYS H H 31 7.924 7.924 8.257 -0.333 18230 9310 1 20 . 1 1 32 32 GLU N N 32 119.355 119.355 120.433 -1.078 18230 9311 1 20 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.020 -0.119 18230 9312 1 20 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.068 -0.230 18230 9313 1 20 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.591 1.072 18230 9314 1 20 . 1 1 32 32 GLU H H 32 7.502 7.502 7.445 0.057 18230 9315 1 20 . 1 1 33 33 LEU N N 33 119.533 119.533 117.571 1.962 18230 9316 1 20 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.365 -0.457 18230 9317 1 20 . 1 1 33 33 LEU C C 33 177.571 177.571 179.107 -1.536 18230 9318 1 20 . 1 1 33 33 LEU CA C 33 57.775 57.775 57.983 -0.208 18230 9319 1 20 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.288 0.202 18230 9320 1 20 . 1 1 33 33 LEU H H 33 9.076 9.076 8.414 0.662 18230 9321 1 20 . 1 1 34 34 LYS N N 34 119.251 119.251 119.122 0.129 18230 9322 1 20 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.952 -0.306 18230 9323 1 20 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.442 1.141 18230 9324 1 20 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.950 0.115 18230 9325 1 20 . 1 1 34 34 LYS H H 34 8.262 8.262 8.357 -0.095 18230 9326 1 20 . 1 1 35 35 GLU N N 35 117.642 117.642 119.380 -1.738 18230 9327 1 20 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.123 -0.128 18230 9328 1 20 . 1 1 35 35 GLU C C 35 178.776 178.776 179.005 -0.229 18230 9329 1 20 . 1 1 35 35 GLU CA C 35 59.586 59.586 58.805 0.781 18230 9330 1 20 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.487 -0.538 18230 9331 1 20 . 1 1 35 35 GLU H H 35 7.742 7.742 7.837 -0.095 18230 9332 1 20 . 1 1 36 36 LEU N N 36 124.753 124.753 122.991 1.762 18230 9333 1 20 . 1 1 36 36 LEU HA H 36 2.696 2.696 4.118 -1.422 18230 9334 1 20 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.711 1.986 18230 9335 1 20 . 1 1 36 36 LEU CB C 36 41.968 41.968 42.209 -0.241 18230 9336 1 20 . 1 1 36 36 LEU H H 36 8.304 8.304 8.361 -0.057 18230 9337 1 20 . 1 1 37 37 LEU N N 37 119.058 119.058 118.032 1.026 18230 9338 1 20 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.965 -0.238 18230 9339 1 20 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.173 0.139 18230 9340 1 20 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.761 1.039 18230 9341 1 20 . 1 1 37 37 LEU H H 37 8.684 8.684 8.578 0.106 18230 9342 1 20 . 1 1 38 38 GLN N N 38 114.728 114.728 116.356 -1.628 18230 9343 1 20 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.210 -0.269 18230 9344 1 20 . 1 1 38 38 GLN C C 38 177.584 177.584 178.238 -0.654 18230 9345 1 20 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.535 -0.057 18230 9346 1 20 . 1 1 38 38 GLN CB C 38 29.027 29.027 29.035 -0.008 18230 9347 1 20 . 1 1 38 38 GLN H H 38 8.510 8.510 7.640 0.870 18230 9348 1 20 . 1 1 39 39 THR N N 39 110.419 110.419 109.795 0.624 18230 9349 1 20 . 1 1 39 39 THR HA H 39 4.238 4.238 4.158 0.080 18230 9350 1 20 . 1 1 39 39 THR C C 39 176.341 176.341 176.135 0.206 18230 9351 1 20 . 1 1 39 39 THR CA C 39 64.874 64.874 64.495 0.379 18230 9352 1 20 . 1 1 39 39 THR CB C 39 69.919 69.919 69.271 0.648 18230 9353 1 20 . 1 1 39 39 THR H H 39 7.863 7.863 7.914 -0.051 18230 9354 1 20 . 1 1 40 40 GLU N N 40 117.514 117.514 120.130 -2.616 18230 9355 1 20 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.453 0.300 18230 9356 1 20 . 1 1 40 40 GLU C C 40 177.807 177.807 176.751 1.056 18230 9357 1 20 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.167 -0.685 18230 9358 1 20 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.062 0.727 18230 9359 1 20 . 1 1 40 40 GLU H H 40 8.468 8.468 8.364 0.104 18230 9360 1 20 . 1 1 41 41 LEU N N 41 121.141 121.141 120.938 0.203 18230 9361 1 20 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.671 0.342 18230 9362 1 20 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.107 -1.277 18230 9363 1 20 . 1 1 41 41 LEU CB C 41 43.623 43.623 42.952 0.671 18230 9364 1 20 . 1 1 41 41 LEU H H 41 7.682 7.682 7.901 -0.219 18230 9365 1 20 . 1 1 42 42 SER N N 42 116.557 116.557 117.506 -0.949 18230 9366 1 20 . 1 1 42 42 SER HA H 42 4.055 4.055 4.492 -0.437 18230 9367 1 20 . 1 1 42 42 SER C C 42 176.537 176.537 176.576 -0.039 18230 9368 1 20 . 1 1 42 42 SER CA C 42 61.552 61.552 59.148 2.404 18230 9369 1 20 . 1 1 42 42 SER CB C 42 62.783 62.783 64.106 -1.323 18230 9370 1 20 . 1 1 42 42 SER H H 42 8.186 8.186 8.694 -0.508 18230 9371 1 20 . 1 1 43 43 GLY N N 43 111.517 111.517 110.732 0.785 18230 9372 1 20 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.740 -0.693 18230 9373 1 20 . 1 1 43 43 GLY H H 43 8.880 8.880 8.747 0.133 18230 9374 1 20 . 1 1 44 44 PHE N N 44 122.405 122.405 120.066 2.339 18230 9375 1 20 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.149 0.208 18230 9376 1 20 . 1 1 44 44 PHE C C 44 176.851 176.851 177.352 -0.501 18230 9377 1 20 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.289 -1.454 18230 9378 1 20 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.514 1.106 18230 9379 1 20 . 1 1 44 44 PHE H H 44 7.972 7.972 7.927 0.045 18230 9380 1 20 . 1 1 45 45 LEU N N 45 119.444 119.444 118.775 0.669 18230 9381 1 20 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.166 -0.237 18230 9382 1 20 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.562 -0.299 18230 9383 1 20 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.348 0.609 18230 9384 1 20 . 1 1 45 45 LEU H H 45 8.148 8.148 7.776 0.372 18230 9385 1 20 . 1 1 46 46 ASP N N 46 120.023 120.023 120.145 -0.122 18230 9386 1 20 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.408 -0.032 18230 9387 1 20 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.669 -0.987 18230 9388 1 20 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.831 -0.043 18230 9389 1 20 . 1 1 46 46 ASP H H 46 8.307 8.307 8.434 -0.128 18230 9390 1 20 . 1 1 47 47 ALA N N 47 121.156 121.156 122.014 -0.858 18230 9391 1 20 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.029 0.127 18230 9392 1 20 . 1 1 47 47 ALA CA C 47 52.913 52.913 54.528 -1.615 18230 9393 1 20 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.210 0.444 18230 9394 1 20 . 1 1 47 47 ALA H H 47 7.606 7.606 7.862 -0.256 18230 9395 1 20 . 1 1 48 48 GLN N N 48 116.408 116.408 116.850 -0.442 18230 9396 1 20 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.180 -0.044 18230 9397 1 20 . 1 1 48 48 GLN C C 48 175.882 175.882 176.694 -0.812 18230 9398 1 20 . 1 1 48 48 GLN CA C 48 55.362 55.362 56.354 -0.992 18230 9399 1 20 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.897 -0.415 18230 9400 1 20 . 1 1 48 48 GLN H H 48 7.665 7.665 7.709 -0.044 18230 9401 1 20 . 1 1 49 49 LYS HA H 49 4.129 4.129 3.976 0.153 18230 9402 1 20 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.208 -0.502 18230 9403 1 20 . 1 1 49 49 LYS CB C 49 32.298 32.298 30.539 1.759 18230 9404 1 20 . 1 1 50 50 ASP N N 50 118.824 118.824 117.124 1.700 18230 9405 1 20 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.842 -0.294 18230 9406 1 20 . 1 1 50 50 ASP CA C 50 53.965 53.965 52.984 0.980 18230 9407 1 20 . 1 1 50 50 ASP CB C 50 42.035 42.035 43.733 -1.698 18230 9408 1 20 . 1 1 50 50 ASP H H 50 7.982 7.982 7.823 0.159 18230 9409 1 20 . 1 1 51 51 VAL N N 51 121.055 121.055 119.225 1.830 18230 9410 1 20 . 1 1 51 51 VAL HA H 51 3.951 3.951 4.026 -0.075 18230 9411 1 20 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.879 -1.223 18230 9412 1 20 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.955 0.045 18230 9413 1 20 . 1 1 51 51 VAL H H 51 8.231 8.231 8.322 -0.091 18230 9414 1 20 . 1 1 52 52 ASP N N 52 121.189 121.189 121.967 -0.778 18230 9415 1 20 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.449 0.310 18230 9416 1 20 . 1 1 52 52 ASP C C 52 176.367 176.367 178.338 -1.971 18230 9417 1 20 . 1 1 52 52 ASP CA C 52 53.716 53.716 56.990 -3.274 18230 9418 1 20 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.508 0.891 18230 9419 1 20 . 1 1 52 52 ASP H H 52 8.410 8.410 8.706 -0.296 18230 9420 1 20 . 1 1 53 53 ALA N N 53 123.582 123.582 121.733 1.849 18230 9421 1 20 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.083 -0.151 18230 9422 1 20 . 1 1 53 53 ALA C C 53 179.208 179.208 179.502 -0.294 18230 9423 1 20 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.033 0.234 18230 9424 1 20 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.352 0.805 18230 9425 1 20 . 1 1 53 53 ALA H H 53 7.755 7.755 8.204 -0.449 18230 9426 1 20 . 1 1 54 54 VAL N N 54 116.235 116.235 118.409 -2.174 18230 9427 1 20 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.666 -0.211 18230 9428 1 20 . 1 1 54 54 VAL C C 54 176.432 176.432 176.825 -0.393 18230 9429 1 20 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.599 -0.355 18230 9430 1 20 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.871 -1.107 18230 9431 1 20 . 1 1 54 54 VAL H H 54 8.300 8.300 7.610 0.690 18230 9432 1 20 . 1 1 55 55 ASP N N 55 120.594 120.594 119.456 1.138 18230 9433 1 20 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.355 -0.200 18230 9434 1 20 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.687 -0.103 18230 9435 1 20 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.095 0.735 18230 9436 1 20 . 1 1 55 55 ASP H H 55 7.684 7.684 7.658 0.026 18230 9437 1 20 . 1 1 56 56 LYS N N 56 119.178 119.178 120.171 -0.993 18230 9438 1 20 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.054 -0.126 18230 9439 1 20 . 1 1 56 56 LYS C C 56 178.697 178.697 179.248 -0.551 18230 9440 1 20 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.382 0.121 18230 9441 1 20 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.625 -0.335 18230 9442 1 20 . 1 1 56 56 LYS H H 56 7.638 7.638 7.952 -0.314 18230 9443 1 20 . 1 1 57 57 VAL N N 57 119.870 119.870 119.461 0.409 18230 9444 1 20 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.671 0.053 18230 9445 1 20 . 1 1 57 57 VAL C C 57 177.558 177.558 178.005 -0.447 18230 9446 1 20 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.670 -0.744 18230 9447 1 20 . 1 1 57 57 VAL CB C 57 31.147 31.147 32.007 -0.860 18230 9448 1 20 . 1 1 57 57 VAL H H 57 7.928 7.928 8.175 -0.247 18230 9449 1 20 . 1 1 58 58 MET N N 58 118.736 118.736 117.914 0.822 18230 9450 1 20 . 1 1 58 58 MET HA H 58 3.928 3.928 4.161 -0.233 18230 9451 1 20 . 1 1 58 58 MET C C 58 177.021 177.021 177.784 -0.763 18230 9452 1 20 . 1 1 58 58 MET CA C 58 58.534 58.534 59.081 -0.547 18230 9453 1 20 . 1 1 58 58 MET CB C 58 32.065 32.065 32.101 -0.036 18230 9454 1 20 . 1 1 58 58 MET H H 58 8.443 8.443 8.334 0.109 18230 9455 1 20 . 1 1 59 59 LYS N N 59 116.214 116.214 118.362 -2.148 18230 9456 1 20 . 1 1 59 59 LYS HA H 59 3.968 3.968 4.015 -0.047 18230 9457 1 20 . 1 1 59 59 LYS C C 59 178.893 178.893 178.578 0.315 18230 9458 1 20 . 1 1 59 59 LYS CA C 59 58.866 58.866 58.900 -0.034 18230 9459 1 20 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.683 0.382 18230 9460 1 20 . 1 1 59 59 LYS H H 59 7.629 7.629 7.679 -0.050 18230 9461 1 20 . 1 1 60 60 GLU N N 60 117.288 117.288 117.036 0.252 18230 9462 1 20 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.170 -0.135 18230 9463 1 20 . 1 1 60 60 GLU C C 60 178.173 178.173 178.436 -0.263 18230 9464 1 20 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.360 -0.131 18230 9465 1 20 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.572 0.234 18230 9466 1 20 . 1 1 60 60 GLU H H 60 7.599 7.599 7.528 0.071 18230 9467 1 20 . 1 1 61 61 LEU N N 61 116.163 116.163 118.852 -2.689 18230 9468 1 20 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.181 0.189 18230 9469 1 20 . 1 1 61 61 LEU C C 61 178.893 178.893 178.048 0.845 18230 9470 1 20 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.386 -1.147 18230 9471 1 20 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.182 1.759 18230 9472 1 20 . 1 1 61 61 LEU H H 61 8.060 8.060 7.320 0.740 18230 9473 1 20 . 1 1 62 62 ASP N N 62 116.934 116.934 118.563 -1.629 18230 9474 1 20 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.934 -0.268 18230 9475 1 20 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.798 -0.553 18230 9476 1 20 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.728 -0.719 18230 9477 1 20 . 1 1 62 62 ASP H H 62 8.012 8.012 8.098 -0.086 18230 9478 1 20 . 1 1 63 63 GLU N N 63 129.388 129.388 125.295 4.093 18230 9479 1 20 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.007 0.015 18230 9480 1 20 . 1 1 63 63 GLU C C 63 177.519 177.519 177.776 -0.257 18230 9481 1 20 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.663 0.009 18230 9482 1 20 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.912 0.595 18230 9483 1 20 . 1 1 63 63 GLU H H 63 8.356 8.356 8.563 -0.207 18230 9484 1 20 . 1 1 64 64 ASN N N 64 112.751 112.751 116.442 -3.691 18230 9485 1 20 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.518 0.215 18230 9486 1 20 . 1 1 64 64 ASN C C 64 176.498 176.498 176.211 0.287 18230 9487 1 20 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.327 -2.438 18230 9488 1 20 . 1 1 64 64 ASN CB C 64 37.172 37.172 39.255 -2.083 18230 9489 1 20 . 1 1 64 64 ASN H H 64 7.997 7.997 7.836 0.161 18230 9490 1 20 . 1 1 65 65 GLY N N 65 109.265 109.265 107.520 1.745 18230 9491 1 20 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.342 2.061 18230 9492 1 20 . 1 1 65 65 GLY H H 65 7.552 7.552 8.249 -0.697 18230 9493 1 20 . 1 1 66 66 ASP N N 66 119.331 119.331 120.735 -1.404 18230 9494 1 20 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.668 -0.136 18230 9495 1 20 . 1 1 66 66 ASP CA C 66 53.190 53.190 52.381 0.809 18230 9496 1 20 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.379 -0.136 18230 9497 1 20 . 1 1 66 66 ASP H H 66 8.124 8.124 7.988 0.136 18230 9498 1 20 . 1 1 67 67 GLY N N 67 113.348 113.348 108.580 4.768 18230 9499 1 20 . 1 1 67 67 GLY CA C 67 45.604 45.604 46.020 -0.416 18230 9500 1 20 . 1 1 67 67 GLY H H 67 10.285 10.285 9.056 1.229 18230 9501 1 20 . 1 1 68 68 GLU N N 68 117.060 117.060 119.989 -2.929 18230 9502 1 20 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.604 0.197 18230 9503 1 20 . 1 1 68 68 GLU C C 68 175.176 175.176 175.065 0.111 18230 9504 1 20 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.745 -0.235 18230 9505 1 20 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.908 3.315 18230 9506 1 20 . 1 1 68 68 GLU H H 68 7.732 7.732 8.776 -1.044 18230 9507 1 20 . 1 1 69 69 VAL N N 69 125.264 125.264 124.985 0.279 18230 9508 1 20 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.759 0.481 18230 9509 1 20 . 1 1 69 69 VAL C C 69 175.961 175.961 175.016 0.945 18230 9510 1 20 . 1 1 69 69 VAL CA C 69 61.144 61.144 61.426 -0.282 18230 9511 1 20 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.568 0.117 18230 9512 1 20 . 1 1 69 69 VAL H H 69 9.392 9.392 8.852 0.540 18230 9513 1 20 . 1 1 70 70 ASP N N 70 129.378 129.378 125.678 3.700 18230 9514 1 20 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.926 0.235 18230 9515 1 20 . 1 1 70 70 ASP C C 70 175.032 175.032 176.599 -1.567 18230 9516 1 20 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.317 0.098 18230 9517 1 20 . 1 1 70 70 ASP CB C 70 41.839 41.839 42.803 -0.965 18230 9518 1 20 . 1 1 70 70 ASP H H 70 9.112 9.112 8.715 0.397 18230 9519 1 20 . 1 1 71 71 PHE N N 71 118.452 118.452 120.764 -2.312 18230 9520 1 20 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.294 -0.381 18230 9521 1 20 . 1 1 71 71 PHE C C 71 176.576 176.576 176.939 -0.363 18230 9522 1 20 . 1 1 71 71 PHE CA C 71 63.434 63.434 61.023 2.411 18230 9523 1 20 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.874 0.357 18230 9524 1 20 . 1 1 71 71 PHE H H 71 8.948 8.948 9.036 -0.088 18230 9525 1 20 . 1 1 72 72 GLN N N 72 116.934 116.934 118.381 -1.447 18230 9526 1 20 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.849 -0.161 18230 9527 1 20 . 1 1 72 72 GLN C C 72 178.056 178.056 178.338 -0.282 18230 9528 1 20 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.417 0.176 18230 9529 1 20 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.148 0.016 18230 9530 1 20 . 1 1 72 72 GLN H H 72 8.012 8.012 8.406 -0.394 18230 9531 1 20 . 1 1 73 73 GLU N N 73 120.208 120.208 120.696 -0.488 18230 9532 1 20 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.050 0.016 18230 9533 1 20 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.650 -1.144 18230 9534 1 20 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.790 0.327 18230 9535 1 20 . 1 1 73 73 GLU H H 73 8.308 8.308 9.667 -1.359 18230 9536 1 20 . 1 1 74 74 TYR N N 74 121.623 121.623 121.578 0.045 18230 9537 1 20 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.264 -0.175 18230 9538 1 20 . 1 1 74 74 TYR C C 74 176.485 176.485 177.575 -1.090 18230 9539 1 20 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.774 -2.299 18230 9540 1 20 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.868 -0.862 18230 9541 1 20 . 1 1 74 74 TYR H H 74 8.339 8.339 8.553 -0.214 18230 9542 1 20 . 1 1 75 75 VAL N N 75 120.827 120.827 119.630 1.197 18230 9543 1 20 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.650 -0.776 18230 9544 1 20 . 1 1 75 75 VAL C C 75 176.563 176.563 177.694 -1.131 18230 9545 1 20 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.985 -0.631 18230 9546 1 20 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.992 -1.341 18230 9547 1 20 . 1 1 75 75 VAL H H 75 8.088 8.088 8.508 -0.420 18230 9548 1 20 . 1 1 76 76 VAL N N 76 120.216 120.216 118.411 1.805 18230 9549 1 20 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.715 -0.300 18230 9550 1 20 . 1 1 76 76 VAL C C 76 178.645 178.645 177.628 1.017 18230 9551 1 20 . 1 1 76 76 VAL CA C 76 66.858 66.858 65.754 1.104 18230 9552 1 20 . 1 1 76 76 VAL CB C 76 31.300 31.300 30.513 0.787 18230 9553 1 20 . 1 1 76 76 VAL H H 76 7.132 7.132 8.076 -0.944 18230 9554 1 20 . 1 1 77 77 LEU N N 77 120.900 120.900 122.129 -1.229 18230 9555 1 20 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.910 0.118 18230 9556 1 20 . 1 1 77 77 LEU C C 77 177.362 177.362 178.306 -0.944 18230 9557 1 20 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.351 -0.676 18230 9558 1 20 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.587 -1.032 18230 9559 1 20 . 1 1 77 77 LEU H H 77 6.860 6.860 7.886 -1.026 18230 9560 1 20 . 1 1 78 78 VAL N N 78 116.991 116.991 115.918 1.073 18230 9561 1 20 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.491 -0.368 18230 9562 1 20 . 1 1 78 78 VAL C C 78 179.142 179.142 177.895 1.247 18230 9563 1 20 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.799 1.029 18230 9564 1 20 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.338 0.963 18230 9565 1 20 . 1 1 78 78 VAL H H 78 7.519 7.519 7.964 -0.445 18230 9566 1 20 . 1 1 79 79 ALA N N 79 124.679 124.679 123.837 0.842 18230 9567 1 20 . 1 1 79 79 ALA HA H 79 3.687 3.687 3.975 -0.288 18230 9568 1 20 . 1 1 79 79 ALA C C 79 178.213 178.213 179.050 -0.837 18230 9569 1 20 . 1 1 79 79 ALA CA C 79 56.008 56.008 55.004 1.004 18230 9570 1 20 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.289 -0.472 18230 9571 1 20 . 1 1 79 79 ALA H H 79 8.964 8.964 8.203 0.761 18230 9572 1 20 . 1 1 80 80 ALA N N 80 120.376 120.376 121.453 -1.077 18230 9573 1 20 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.068 -0.034 18230 9574 1 20 . 1 1 80 80 ALA C C 80 181.852 181.852 179.645 2.207 18230 9575 1 20 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.993 0.290 18230 9576 1 20 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.344 -0.544 18230 9577 1 20 . 1 1 80 80 ALA H H 80 7.794 7.794 8.412 -0.618 18230 9578 1 20 . 1 1 81 81 LEU N N 81 119.275 119.275 118.603 0.672 18230 9579 1 20 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.010 0.030 18230 9580 1 20 . 1 1 81 81 LEU C C 81 179.168 179.168 179.334 -0.166 18230 9581 1 20 . 1 1 81 81 LEU CA C 81 57.345 57.345 58.052 -0.707 18230 9582 1 20 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.016 0.630 18230 9583 1 20 . 1 1 81 81 LEU H H 81 8.494 8.494 8.319 0.175 18230 9584 1 20 . 1 1 82 82 THR N N 82 119.781 119.781 116.426 3.355 18230 9585 1 20 . 1 1 82 82 THR HA H 82 3.800 3.800 3.894 -0.094 18230 9586 1 20 . 1 1 82 82 THR CA C 82 68.473 68.473 66.414 2.059 18230 9587 1 20 . 1 1 82 82 THR CB C 82 67.796 67.796 68.135 -0.339 18230 9588 1 20 . 1 1 82 82 THR H H 82 8.418 8.418 7.881 0.537 18230 9589 1 20 . 1 1 83 83 VAL N N 83 122.419 122.419 121.558 0.861 18230 9590 1 20 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.732 -0.030 18230 9591 1 20 . 1 1 83 83 VAL C C 83 177.781 177.781 176.898 0.883 18230 9592 1 20 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.982 1.329 18230 9593 1 20 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.488 0.188 18230 9594 1 20 . 1 1 83 83 VAL H H 83 8.164 8.164 8.079 0.085 18230 9595 1 20 . 1 1 84 84 ALA N N 84 121.470 121.470 121.683 -0.213 18230 9596 1 20 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.102 0.046 18230 9597 1 20 . 1 1 84 84 ALA C C 84 180.032 180.032 179.596 0.436 18230 9598 1 20 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.188 -0.083 18230 9599 1 20 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.805 -0.007 18230 9600 1 20 . 1 1 84 84 ALA H H 84 7.877 7.877 8.341 -0.464 18230 9601 1 20 . 1 1 85 85 CYS N N 85 117.473 117.473 119.354 -1.881 18230 9602 1 20 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.385 0.039 18230 9603 1 20 . 1 1 85 85 CYS C C 85 176.092 176.092 176.804 -0.712 18230 9604 1 20 . 1 1 85 85 CYS CA C 85 57.980 57.980 62.770 -4.790 18230 9605 1 20 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.227 14.328 18230 9606 1 20 . 1 1 85 85 CYS H H 85 8.370 8.370 8.258 0.112 18230 9607 1 20 . 1 1 86 86 ASN N N 86 119.886 119.886 119.233 0.653 18230 9608 1 20 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.473 -0.237 18230 9609 1 20 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.990 0.270 18230 9610 1 20 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.445 1.233 18230 9611 1 20 . 1 1 87 87 ASN N N 87 117.136 117.136 118.804 -1.668 18230 9612 1 20 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.593 -0.193 18230 9613 1 20 . 1 1 87 87 ASN CA C 87 55.032 55.032 55.873 -0.841 18230 9614 1 20 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.402 -0.573 18230 9615 1 20 . 1 1 87 87 ASN H H 87 8.136 8.136 8.358 -0.222 18230 9616 1 20 . 1 1 88 88 PHE N N 88 119.001 119.001 121.093 -2.092 18230 9617 1 20 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.211 0.079 18230 9618 1 20 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.675 -1.978 18230 9619 1 20 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.176 0.030 18230 9620 1 20 . 1 1 88 88 PHE H H 88 7.865 7.865 8.067 -0.202 18230 9621 1 20 . 1 1 89 89 PHE N N 89 118.050 118.050 118.596 -0.546 18230 9622 1 20 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.149 0.061 18230 9623 1 20 . 1 1 89 89 PHE CA C 89 59.500 59.500 60.884 -1.384 18230 9624 1 20 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.880 -0.393 18230 9625 1 20 . 1 1 89 89 PHE H H 89 7.924 7.924 8.146 -0.222 18230 9626 1 20 . 1 1 90 90 TRP N N 90 119.104 119.104 120.024 -0.920 18230 9627 1 20 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.421 0.055 18230 9628 1 20 . 1 1 90 90 TRP CA C 90 57.688 57.688 58.719 -1.032 18230 9629 1 20 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.443 -0.949 18230 9630 1 20 . 1 1 90 90 TRP H H 90 7.848 7.848 8.160 -0.312 18230 9631 1 20 . 1 1 91 91 GLU N N 91 120.457 120.457 118.295 2.162 18230 9632 1 20 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.457 -0.328 18230 9633 1 20 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.715 1.324 18230 9634 1 20 . 1 1 91 91 GLU CB C 91 30.033 30.033 30.984 -0.951 18230 9635 1 20 . 1 1 91 91 GLU H H 91 7.816 7.816 7.997 -0.181 18230 9636 1 20 . 1 1 92 92 ASN N N 92 125.418 125.418 121.784 3.634 18230 9637 1 20 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.269 0.141 18230 9638 1 20 . 1 1 92 92 ASN CA C 92 54.731 54.731 55.129 -0.398 18230 9639 1 20 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.726 2.348 18230 9640 1 20 . 1 1 92 92 ASN H H 92 7.846 7.846 8.611 -0.765 18230 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 86 2.251 0.017 2.264 18230 2 1 1 "Average Difference" HA 95 0.260 -0.006 0.261 18230 3 1 1 "Average Difference" C 51 0.909 0.136 0.908 18230 4 1 1 "Average Difference" CA 90 1.135 0.195 1.125 18230 5 1 1 "Average Difference" CB 85 1.858 -0.316 1.842 18230 6 1 1 "Average Difference" HN 85 0.600 0.052 0.602 18230 7 1 2 "Average Difference" N 86 2.323 -0.031 2.337 18230 8 1 2 "Average Difference" HA 95 0.265 -0.006 0.266 18230 9 1 2 "Average Difference" C 51 0.913 0.085 0.918 18230 10 1 2 "Average Difference" CA 90 1.206 0.124 1.206 18230 11 1 2 "Average Difference" CB 85 1.856 -0.304 1.841 18230 12 1 2 "Average Difference" HN 85 0.603 0.023 0.606 18230 13 1 3 "Average Difference" N 86 2.121 0.017 2.133 18230 14 1 3 "Average Difference" HA 95 0.267 -0.007 0.269 18230 15 1 3 "Average Difference" C 51 0.888 0.135 0.887 18230 16 1 3 "Average Difference" CA 90 1.245 0.145 1.244 18230 17 1 3 "Average Difference" CB 85 1.866 -0.307 1.852 18230 18 1 3 "Average Difference" HN 85 0.626 0.008 0.630 18230 19 1 4 "Average Difference" N 86 2.147 0.036 2.160 18230 20 1 4 "Average Difference" HA 95 0.247 -0.001 0.248 18230 21 1 4 "Average Difference" C 51 0.901 0.076 0.906 18230 22 1 4 "Average Difference" CA 90 1.159 0.127 1.159 18230 23 1 4 "Average Difference" CB 85 1.868 -0.215 1.866 18230 24 1 4 "Average Difference" HN 85 0.599 0.006 0.602 18230 25 1 5 "Average Difference" N 86 2.373 0.048 2.386 18230 26 1 5 "Average Difference" HA 95 0.245 -0.002 0.246 18230 27 1 5 "Average Difference" C 51 0.912 0.097 0.915 18230 28 1 5 "Average Difference" CA 90 1.229 0.172 1.224 18230 29 1 5 "Average Difference" CB 85 1.848 -0.335 1.828 18230 30 1 5 "Average Difference" HN 85 0.604 0.014 0.608 18230 31 1 6 "Average Difference" N 86 2.235 -0.015 2.248 18230 32 1 6 "Average Difference" HA 95 0.287 0.003 0.288 18230 33 1 6 "Average Difference" C 51 0.834 0.060 0.840 18230 34 1 6 "Average Difference" CA 90 1.144 0.112 1.145 18230 35 1 6 "Average Difference" CB 85 1.805 -0.309 1.789 18230 36 1 6 "Average Difference" HN 85 0.618 0.039 0.620 18230 37 1 7 "Average Difference" N 86 2.234 -0.021 2.247 18230 38 1 7 "Average Difference" HA 95 0.272 -0.009 0.273 18230 39 1 7 "Average Difference" C 51 0.900 0.117 0.901 18230 40 1 7 "Average Difference" CA 90 1.211 0.212 1.199 18230 41 1 7 "Average Difference" CB 85 1.886 -0.302 1.873 18230 42 1 7 "Average Difference" HN 85 0.586 0.007 0.590 18230 43 1 8 "Average Difference" N 86 2.114 0.039 2.126 18230 44 1 8 "Average Difference" HA 95 0.257 -0.004 0.258 18230 45 1 8 "Average Difference" C 51 0.924 0.007 0.933 18230 46 1 8 "Average Difference" CA 90 1.166 0.094 1.169 18230 47 1 8 "Average Difference" CB 85 1.896 -0.276 1.887 18230 48 1 8 "Average Difference" HN 85 0.619 -0.010 0.623 18230 49 1 9 "Average Difference" N 86 2.244 -0.011 2.257 18230 50 1 9 "Average Difference" HA 95 0.263 0.008 0.264 18230 51 1 9 "Average Difference" C 51 0.903 0.108 0.906 18230 52 1 9 "Average Difference" CA 90 1.201 0.147 1.199 18230 53 1 9 "Average Difference" CB 85 1.878 -0.290 1.867 18230 54 1 9 "Average Difference" HN 85 0.605 -0.021 0.608 18230 55 1 10 "Average Difference" N 86 2.290 -0.084 2.302 18230 56 1 10 "Average Difference" HA 95 0.261 -0.005 0.262 18230 57 1 10 "Average Difference" C 51 0.851 0.101 0.853 18230 58 1 10 "Average Difference" CA 90 1.253 0.192 1.245 18230 59 1 10 "Average Difference" CB 85 1.873 -0.328 1.855 18230 60 1 10 "Average Difference" HN 85 0.622 0.048 0.624 18230 61 1 11 "Average Difference" N 86 2.209 0.015 2.222 18230 62 1 11 "Average Difference" HA 95 0.261 -0.001 0.262 18230 63 1 11 "Average Difference" C 51 0.933 0.082 0.939 18230 64 1 11 "Average Difference" CA 90 1.124 0.129 1.122 18230 65 1 11 "Average Difference" CB 85 1.857 -0.299 1.844 18230 66 1 11 "Average Difference" HN 85 0.587 0.004 0.590 18230 67 1 12 "Average Difference" N 86 2.270 -0.028 2.283 18230 68 1 12 "Average Difference" HA 95 0.265 0.006 0.267 18230 69 1 12 "Average Difference" C 51 0.895 0.105 0.898 18230 70 1 12 "Average Difference" CA 90 1.143 0.167 1.138 18230 71 1 12 "Average Difference" CB 85 1.884 -0.273 1.875 18230 72 1 12 "Average Difference" HN 85 0.583 0.003 0.587 18230 73 1 13 "Average Difference" N 86 2.206 -0.034 2.219 18230 74 1 13 "Average Difference" HA 95 0.270 -0.009 0.271 18230 75 1 13 "Average Difference" C 51 0.913 0.123 0.913 18230 76 1 13 "Average Difference" CA 90 1.174 0.203 1.163 18230 77 1 13 "Average Difference" CB 85 1.877 -0.308 1.863 18230 78 1 13 "Average Difference" HN 85 0.599 0.007 0.602 18230 79 1 14 "Average Difference" N 86 2.250 -0.060 2.263 18230 80 1 14 "Average Difference" HA 95 0.308 0.015 0.310 18230 81 1 14 "Average Difference" C 51 0.860 0.123 0.860 18230 82 1 14 "Average Difference" CA 90 1.207 0.091 1.211 18230 83 1 14 "Average Difference" CB 85 1.864 -0.261 1.856 18230 84 1 14 "Average Difference" HN 85 0.609 0.013 0.613 18230 85 1 15 "Average Difference" N 86 2.201 0.023 2.213 18230 86 1 15 "Average Difference" HA 95 0.258 -0.019 0.258 18230 87 1 15 "Average Difference" C 51 0.893 0.077 0.899 18230 88 1 15 "Average Difference" CA 90 1.200 0.212 1.188 18230 89 1 15 "Average Difference" CB 85 1.853 -0.315 1.837 18230 90 1 15 "Average Difference" HN 85 0.576 0.018 0.579 18230 91 1 16 "Average Difference" N 86 2.259 0.028 2.272 18230 92 1 16 "Average Difference" HA 95 0.313 0.006 0.315 18230 93 1 16 "Average Difference" C 51 0.870 0.139 0.868 18230 94 1 16 "Average Difference" CA 90 1.155 0.149 1.152 18230 95 1 16 "Average Difference" CB 85 1.855 -0.310 1.840 18230 96 1 16 "Average Difference" HN 85 0.638 0.035 0.641 18230 97 1 17 "Average Difference" N 86 2.206 -0.017 2.219 18230 98 1 17 "Average Difference" HA 95 0.276 0.008 0.277 18230 99 1 17 "Average Difference" C 51 0.923 0.110 0.926 18230 100 1 17 "Average Difference" CA 90 1.313 0.097 1.317 18230 101 1 17 "Average Difference" CB 85 1.863 -0.280 1.853 18230 102 1 17 "Average Difference" HN 85 0.569 0.011 0.573 18230 103 1 18 "Average Difference" N 86 2.334 0.013 2.348 18230 104 1 18 "Average Difference" HA 95 0.264 -0.002 0.265 18230 105 1 18 "Average Difference" C 51 0.875 0.076 0.880 18230 106 1 18 "Average Difference" CA 90 1.280 0.129 1.281 18230 107 1 18 "Average Difference" CB 85 1.884 -0.340 1.865 18230 108 1 18 "Average Difference" HN 85 0.604 0.036 0.607 18230 109 1 19 "Average Difference" N 86 2.086 0.136 2.093 18230 110 1 19 "Average Difference" HA 95 0.270 -0.023 0.270 18230 111 1 19 "Average Difference" C 51 0.920 0.137 0.919 18230 112 1 19 "Average Difference" CA 90 1.270 0.220 1.258 18230 113 1 19 "Average Difference" CB 85 1.890 -0.338 1.870 18230 114 1 19 "Average Difference" HN 85 0.609 0.032 0.611 18230 115 1 20 "Average Difference" N 86 2.058 -0.016 2.070 18230 116 1 20 "Average Difference" HA 95 0.297 0.019 0.298 18230 117 1 20 "Average Difference" C 51 0.879 0.158 0.873 18230 118 1 20 "Average Difference" CA 90 1.162 0.081 1.166 18230 119 1 20 "Average Difference" CB 85 1.872 -0.266 1.864 18230 120 1 20 "Average Difference" HN 85 0.599 0.011 0.603 18230 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 18230 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER HA H 2 4.757 4.757 4.490 0.267 18230 2 1 . 1 1 2 2 SER CA C 2 57.482 57.482 58.317 -0.835 18230 3 1 . 1 1 2 2 SER CB C 2 64.893 64.893 64.364 0.529 18230 4 1 . 1 1 3 3 GLU N N 3 123.948 123.948 123.279 0.669 18230 5 1 . 1 1 3 3 GLU HA H 3 4.125 4.125 4.067 0.058 18230 6 1 . 1 1 3 3 GLU C C 3 179.443 179.443 178.606 0.837 18230 7 1 . 1 1 3 3 GLU CA C 3 60.300 60.300 59.204 1.096 18230 8 1 . 1 1 3 3 GLU CB C 3 29.572 29.572 29.465 0.107 18230 9 1 . 1 1 3 3 GLU H H 3 9.442 9.442 8.778 0.664 18230 10 1 . 1 1 4 4 LEU N N 4 120.236 120.236 120.365 -0.129 18230 11 1 . 1 1 4 4 LEU HA H 4 4.075 4.075 4.017 0.058 18230 12 1 . 1 1 4 4 LEU CA C 4 58.091 58.091 57.922 0.169 18230 13 1 . 1 1 4 4 LEU CB C 4 42.502 42.502 41.831 0.671 18230 14 1 . 1 1 4 4 LEU H H 4 8.907 8.907 7.859 1.048 18230 15 1 . 1 1 5 5 GLU N N 5 119.034 119.034 118.626 0.408 18230 16 1 . 1 1 5 5 GLU HA H 5 3.968 3.968 4.031 -0.063 18230 17 1 . 1 1 5 5 GLU C C 5 179.234 179.234 178.911 0.323 18230 18 1 . 1 1 5 5 GLU CA C 5 60.140 60.140 59.541 0.599 18230 19 1 . 1 1 5 5 GLU CB C 5 29.416 29.416 29.220 0.196 18230 20 1 . 1 1 5 5 GLU H H 5 8.296 8.296 8.285 0.011 18230 21 1 . 1 1 6 6 THR N N 6 116.586 116.586 116.784 -0.198 18230 22 1 . 1 1 6 6 THR HA H 6 4.008 4.008 4.039 -0.031 18230 23 1 . 1 1 6 6 THR CA C 6 66.397 66.397 66.490 -0.093 18230 24 1 . 1 1 6 6 THR CB C 6 68.595 68.595 68.514 0.081 18230 25 1 . 1 1 6 6 THR H H 6 8.282 8.282 8.144 0.138 18230 26 1 . 1 1 7 7 ALA N N 7 126.275 126.275 124.765 1.510 18230 27 1 . 1 1 7 7 ALA HA H 7 4.183 4.183 4.112 0.071 18230 28 1 . 1 1 7 7 ALA CA C 7 55.613 55.613 55.049 0.564 18230 29 1 . 1 1 7 7 ALA CB C 7 17.940 17.940 18.209 -0.269 18230 30 1 . 1 1 7 7 ALA H H 7 8.141 8.141 8.147 -0.006 18230 31 1 . 1 1 8 8 MET N N 8 117.071 117.071 118.047 -0.976 18230 32 1 . 1 1 8 8 MET HA H 8 3.834 3.834 4.006 -0.172 18230 33 1 . 1 1 8 8 MET C C 8 177.846 177.846 178.831 -0.985 18230 34 1 . 1 1 8 8 MET CA C 8 60.757 60.757 59.663 1.094 18230 35 1 . 1 1 8 8 MET CB C 8 34.012 34.012 32.483 1.529 18230 36 1 . 1 1 8 8 MET H H 8 8.269 8.269 8.239 0.030 18230 37 1 . 1 1 9 9 GLU N N 9 117.667 117.667 118.763 -1.096 18230 38 1 . 1 1 9 9 GLU HA H 9 3.928 3.928 4.076 -0.148 18230 39 1 . 1 1 9 9 GLU C C 9 178.933 178.933 179.198 -0.265 18230 40 1 . 1 1 9 9 GLU CA C 9 59.863 59.863 59.726 0.137 18230 41 1 . 1 1 9 9 GLU CB C 9 29.261 29.261 29.350 -0.089 18230 42 1 . 1 1 9 9 GLU H H 9 8.105 8.105 8.586 -0.481 18230 43 1 . 1 1 10 10 THR N N 10 118.326 118.326 117.934 0.392 18230 44 1 . 1 1 10 10 THR HA H 10 4.075 4.075 4.082 -0.007 18230 45 1 . 1 1 10 10 THR CA C 10 67.311 67.311 66.950 0.361 18230 46 1 . 1 1 10 10 THR CB C 10 67.934 67.934 68.518 -0.584 18230 47 1 . 1 1 10 10 THR H H 10 8.407 8.407 8.184 0.223 18230 48 1 . 1 1 11 11 LEU N N 11 119.765 119.765 121.874 -2.109 18230 49 1 . 1 1 11 11 LEU HA H 11 3.928 3.928 4.088 -0.160 18230 50 1 . 1 1 11 11 LEU C C 11 180.896 180.896 179.128 1.768 18230 51 1 . 1 1 11 11 LEU CA C 11 59.281 59.281 58.396 0.885 18230 52 1 . 1 1 11 11 LEU CB C 11 41.600 41.600 41.363 0.237 18230 53 1 . 1 1 11 11 LEU H H 11 8.131 8.131 8.283 -0.152 18230 54 1 . 1 1 12 12 ILE N N 12 119.540 119.540 120.360 -0.820 18230 55 1 . 1 1 12 12 ILE HA H 12 3.955 3.955 3.829 0.126 18230 56 1 . 1 1 12 12 ILE CA C 12 65.732 65.732 65.827 -0.095 18230 57 1 . 1 1 12 12 ILE CB C 12 39.386 39.386 37.660 1.726 18230 58 1 . 1 1 12 12 ILE H H 12 7.715 7.715 8.480 -0.765 18230 59 1 . 1 1 13 13 ASN N N 13 121.587 121.587 118.627 2.960 18230 60 1 . 1 1 13 13 ASN HA H 13 4.531 4.531 4.542 -0.011 18230 61 1 . 1 1 13 13 ASN C C 13 178.867 178.867 178.232 0.635 18230 62 1 . 1 1 13 13 ASN CA C 13 56.429 56.429 56.219 0.210 18230 63 1 . 1 1 13 13 ASN CB C 13 38.062 38.062 38.221 -0.159 18230 64 1 . 1 1 13 13 ASN H H 13 9.040 9.040 8.510 0.530 18230 65 1 . 1 1 14 14 VAL N N 14 120.603 120.603 117.775 2.828 18230 66 1 . 1 1 14 14 VAL HA H 14 3.807 3.807 3.817 -0.010 18230 67 1 . 1 1 14 14 VAL C C 14 177.113 177.113 177.260 -0.147 18230 68 1 . 1 1 14 14 VAL CA C 14 66.508 66.508 66.147 0.361 18230 69 1 . 1 1 14 14 VAL CB C 14 31.597 31.597 31.341 0.256 18230 70 1 . 1 1 14 14 VAL H H 14 8.954 8.954 8.246 0.708 18230 71 1 . 1 1 15 15 PHE N N 15 117.585 117.585 121.931 -4.346 18230 72 1 . 1 1 15 15 PHE HA H 15 3.459 3.459 3.636 -0.177 18230 73 1 . 1 1 15 15 PHE C C 15 177.257 177.257 176.651 0.606 18230 74 1 . 1 1 15 15 PHE CA C 15 62.576 62.576 61.824 0.753 18230 75 1 . 1 1 15 15 PHE CB C 15 39.052 39.052 38.562 0.490 18230 76 1 . 1 1 15 15 PHE H H 15 6.956 6.956 8.340 -1.384 18230 77 1 . 1 1 16 16 HIS N N 16 115.204 115.204 119.583 -4.379 18230 78 1 . 1 1 16 16 HIS HA H 16 4.839 4.839 3.865 0.974 18230 79 1 . 1 1 16 16 HIS CA C 16 58.478 58.478 59.374 -0.896 18230 80 1 . 1 1 16 16 HIS CB C 16 28.920 28.920 29.805 -0.885 18230 81 1 . 1 1 16 16 HIS H H 16 7.736 7.736 8.555 -0.819 18230 82 1 . 1 1 17 17 ALA N N 17 123.201 123.201 121.759 1.442 18230 83 1 . 1 1 17 17 ALA HA H 17 4.036 4.036 3.826 0.210 18230 84 1 . 1 1 17 17 ALA C C 17 178.867 178.867 179.695 -0.828 18230 85 1 . 1 1 17 17 ALA CA C 17 54.145 54.145 54.963 -0.818 18230 86 1 . 1 1 17 17 ALA CB C 17 17.661 17.661 18.026 -0.365 18230 87 1 . 1 1 17 17 ALA H H 17 8.066 8.066 7.974 0.092 18230 88 1 . 1 1 18 18 HIS N N 18 113.974 113.974 116.772 -2.798 18230 89 1 . 1 1 18 18 HIS HA H 18 4.372 4.372 4.173 0.199 18230 90 1 . 1 1 18 18 HIS C C 18 175.568 175.568 177.510 -1.942 18230 91 1 . 1 1 18 18 HIS CA C 18 57.413 57.413 59.137 -1.724 18230 92 1 . 1 1 18 18 HIS CB C 18 32.753 32.753 29.861 2.893 18230 93 1 . 1 1 18 18 HIS H H 18 7.047 7.047 8.244 -1.197 18230 94 1 . 1 1 19 19 SER N N 19 113.745 113.745 115.201 -1.456 18230 95 1 . 1 1 19 19 SER HA H 19 3.658 3.658 4.007 -0.349 18230 96 1 . 1 1 19 19 SER CA C 19 61.247 61.247 60.792 0.455 18230 97 1 . 1 1 19 19 SER CB C 19 61.323 61.323 62.198 -0.875 18230 98 1 . 1 1 19 19 SER H H 19 8.470 8.470 8.006 0.464 18230 99 1 . 1 1 20 20 GLY N N 20 111.711 111.711 108.693 3.018 18230 100 1 . 1 1 20 20 GLY CA C 20 45.382 45.382 45.697 -0.314 18230 101 1 . 1 1 20 20 GLY H H 20 7.739 7.739 7.483 0.256 18230 102 1 . 1 1 21 21 LYS N N 21 122.328 122.328 120.779 1.549 18230 103 1 . 1 1 21 21 LYS HA H 21 3.914 3.914 3.899 0.015 18230 104 1 . 1 1 21 21 LYS C C 21 177.192 177.192 177.013 0.179 18230 105 1 . 1 1 21 21 LYS CA C 21 59.337 59.337 58.149 1.188 18230 106 1 . 1 1 21 21 LYS CB C 21 32.688 32.688 32.688 -0.000 18230 107 1 . 1 1 21 21 LYS H H 21 7.200 7.200 7.447 -0.247 18230 108 1 . 1 1 22 22 GLU N N 22 115.975 115.975 117.628 -1.653 18230 109 1 . 1 1 22 22 GLU HA H 22 4.657 4.657 4.362 0.295 18230 110 1 . 1 1 22 22 GLU C C 22 175.882 175.882 175.653 0.229 18230 111 1 . 1 1 22 22 GLU CA C 22 54.104 54.104 55.117 -1.013 18230 112 1 . 1 1 22 22 GLU CB C 22 33.003 33.003 32.346 0.657 18230 113 1 . 1 1 22 22 GLU H H 22 9.369 9.369 7.698 1.671 18230 114 1 . 1 1 23 23 GLY CA C 23 45.836 45.836 45.095 0.741 18230 115 1 . 1 1 25 25 LYS HA H 25 4.276 4.276 4.006 0.270 18230 116 1 . 1 1 25 25 LYS CA C 25 57.980 57.980 58.027 -0.047 18230 117 1 . 1 1 25 25 LYS CB C 25 31.208 31.208 32.597 -1.389 18230 118 1 . 1 1 26 26 TYR N N 26 119.825 119.825 114.584 5.241 18230 119 1 . 1 1 26 26 TYR HA H 26 4.705 4.705 4.652 0.053 18230 120 1 . 1 1 26 26 TYR C C 26 173.696 173.696 174.817 -1.120 18230 121 1 . 1 1 26 26 TYR CA C 26 56.180 56.180 58.169 -1.989 18230 122 1 . 1 1 26 26 TYR CB C 26 38.049 38.049 37.865 0.184 18230 123 1 . 1 1 26 26 TYR H H 26 9.414 9.414 7.955 1.459 18230 124 1 . 1 1 27 27 LYS N N 27 114.922 114.922 119.622 -4.700 18230 125 1 . 1 1 27 27 LYS HA H 27 5.120 5.120 4.892 0.228 18230 126 1 . 1 1 27 27 LYS C C 27 174.678 174.678 174.181 0.497 18230 127 1 . 1 1 27 27 LYS CA C 27 54.990 54.990 54.924 0.066 18230 128 1 . 1 1 27 27 LYS CB C 27 38.841 38.841 36.663 2.178 18230 129 1 . 1 1 27 27 LYS H H 27 7.107 7.107 7.842 -0.735 18230 130 1 . 1 1 28 28 LEU N N 28 125.976 125.976 127.065 -1.089 18230 131 1 . 1 1 28 28 LEU HA H 28 5.184 5.184 4.948 0.236 18230 132 1 . 1 1 28 28 LEU CA C 28 52.775 52.775 52.946 -0.171 18230 133 1 . 1 1 28 28 LEU CB C 28 43.037 43.037 45.958 -2.921 18230 134 1 . 1 1 28 28 LEU H H 28 9.757 9.757 9.186 0.571 18230 135 1 . 1 1 29 29 SER N N 29 121.025 121.025 120.243 0.782 18230 136 1 . 1 1 29 29 SER HA H 29 4.558 4.558 4.850 -0.292 18230 137 1 . 1 1 29 29 SER C C 29 174.338 174.338 175.274 -0.936 18230 138 1 . 1 1 29 29 SER CA C 29 56.208 56.208 56.262 -0.054 18230 139 1 . 1 1 29 29 SER CB C 29 65.480 65.480 65.483 -0.003 18230 140 1 . 1 1 29 29 SER H H 29 9.908 9.908 8.185 1.723 18230 141 1 . 1 1 30 30 LYS N N 30 120.385 120.385 124.707 -4.322 18230 142 1 . 1 1 30 30 LYS HA H 30 3.847 3.847 3.890 -0.043 18230 143 1 . 1 1 30 30 LYS C C 30 177.859 177.859 178.444 -0.585 18230 144 1 . 1 1 30 30 LYS CA C 30 61.302 61.302 60.878 0.423 18230 145 1 . 1 1 30 30 LYS CB C 30 32.011 32.011 32.446 -0.435 18230 146 1 . 1 1 30 30 LYS H H 30 8.845 8.845 9.113 -0.268 18230 147 1 . 1 1 31 31 LYS N N 31 118.358 118.358 117.396 0.961 18230 148 1 . 1 1 31 31 LYS HA H 31 3.901 3.901 4.051 -0.150 18230 149 1 . 1 1 31 31 LYS CA C 31 59.613 59.613 59.343 0.270 18230 150 1 . 1 1 31 31 LYS CB C 31 32.999 32.999 31.664 1.335 18230 151 1 . 1 1 31 31 LYS H H 31 7.924 7.924 8.139 -0.215 18230 152 1 . 1 1 32 32 GLU N N 32 119.355 119.355 120.077 -0.722 18230 153 1 . 1 1 32 32 GLU HA H 32 3.901 3.901 4.138 -0.237 18230 154 1 . 1 1 32 32 GLU CA C 32 58.838 58.838 59.159 -0.321 18230 155 1 . 1 1 32 32 GLU CB C 32 30.663 30.663 29.602 1.061 18230 156 1 . 1 1 32 32 GLU H H 32 7.502 7.502 7.804 -0.302 18230 157 1 . 1 1 33 33 LEU N N 33 119.533 119.533 117.611 1.922 18230 158 1 . 1 1 33 33 LEU HA H 33 3.908 3.908 4.095 -0.187 18230 159 1 . 1 1 33 33 LEU C C 33 177.571 177.571 178.738 -1.167 18230 160 1 . 1 1 33 33 LEU CA C 33 57.775 57.775 58.405 -0.630 18230 161 1 . 1 1 33 33 LEU CB C 33 41.489 41.489 41.096 0.393 18230 162 1 . 1 1 33 33 LEU H H 33 9.076 9.076 8.652 0.424 18230 163 1 . 1 1 34 34 LYS N N 34 119.251 119.251 119.361 -0.110 18230 164 1 . 1 1 34 34 LYS HA H 34 3.646 3.646 3.917 -0.271 18230 165 1 . 1 1 34 34 LYS CA C 34 60.583 60.583 59.393 1.190 18230 166 1 . 1 1 34 34 LYS CB C 34 32.065 32.065 31.949 0.116 18230 167 1 . 1 1 34 34 LYS H H 34 8.262 8.262 8.392 -0.130 18230 168 1 . 1 1 35 35 GLU N N 35 117.642 117.642 119.590 -1.948 18230 169 1 . 1 1 35 35 GLU HA H 35 3.995 3.995 4.121 -0.126 18230 170 1 . 1 1 35 35 GLU C C 35 178.776 178.776 178.897 -0.122 18230 171 1 . 1 1 35 35 GLU CA C 35 59.586 59.586 59.052 0.534 18230 172 1 . 1 1 35 35 GLU CB C 35 28.949 28.949 29.776 -0.827 18230 173 1 . 1 1 35 35 GLU H H 35 7.742 7.742 7.819 -0.077 18230 174 1 . 1 1 36 36 LEU N N 36 124.753 124.753 122.463 2.290 18230 175 1 . 1 1 36 36 LEU HA H 36 2.696 2.696 3.229 -0.533 18230 176 1 . 1 1 36 36 LEU CA C 36 59.697 59.697 57.306 2.391 18230 177 1 . 1 1 36 36 LEU CB C 36 41.968 41.968 41.799 0.169 18230 178 1 . 1 1 36 36 LEU H H 36 8.304 8.304 8.187 0.116 18230 179 1 . 1 1 37 37 LEU N N 37 119.058 119.058 118.008 1.050 18230 180 1 . 1 1 37 37 LEU HA H 37 3.727 3.727 3.973 -0.246 18230 181 1 . 1 1 37 37 LEU CA C 37 58.312 58.312 58.076 0.236 18230 182 1 . 1 1 37 37 LEU CB C 37 41.800 41.800 40.824 0.976 18230 183 1 . 1 1 37 37 LEU H H 37 8.684 8.684 8.425 0.259 18230 184 1 . 1 1 38 38 GLN N N 38 114.728 114.728 116.695 -1.967 18230 185 1 . 1 1 38 38 GLN HA H 38 3.941 3.941 4.233 -0.292 18230 186 1 . 1 1 38 38 GLN C C 38 177.584 177.584 178.251 -0.667 18230 187 1 . 1 1 38 38 GLN CA C 38 58.478 58.478 58.612 -0.134 18230 188 1 . 1 1 38 38 GLN CB C 38 29.027 29.027 28.922 0.105 18230 189 1 . 1 1 38 38 GLN H H 38 8.510 8.510 7.663 0.847 18230 190 1 . 1 1 39 39 THR N N 39 110.419 110.419 110.203 0.216 18230 191 1 . 1 1 39 39 THR HA H 39 4.238 4.238 4.188 0.050 18230 192 1 . 1 1 39 39 THR C C 39 176.341 176.341 175.976 0.365 18230 193 1 . 1 1 39 39 THR CA C 39 64.874 64.874 64.732 0.142 18230 194 1 . 1 1 39 39 THR CB C 39 69.919 69.919 69.194 0.725 18230 195 1 . 1 1 39 39 THR H H 39 7.863 7.863 8.008 -0.145 18230 196 1 . 1 1 40 40 GLU N N 40 117.514 117.514 120.400 -2.886 18230 197 1 . 1 1 40 40 GLU HA H 40 4.753 4.753 4.457 0.296 18230 198 1 . 1 1 40 40 GLU C C 40 177.807 177.807 176.791 1.016 18230 199 1 . 1 1 40 40 GLU CA C 40 56.482 56.482 57.265 -0.783 18230 200 1 . 1 1 40 40 GLU CB C 40 31.789 31.789 31.008 0.781 18230 201 1 . 1 1 40 40 GLU H H 40 8.468 8.468 8.187 0.281 18230 202 1 . 1 1 41 41 LEU N N 41 121.141 121.141 120.983 0.158 18230 203 1 . 1 1 41 41 LEU HA H 41 5.013 5.013 4.681 0.332 18230 204 1 . 1 1 41 41 LEU CA C 41 52.830 52.830 54.192 -1.363 18230 205 1 . 1 1 41 41 LEU CB C 41 43.623 43.623 43.221 0.402 18230 206 1 . 1 1 41 41 LEU H H 41 7.682 7.682 8.240 -0.558 18230 207 1 . 1 1 42 42 SER N N 42 116.557 116.557 117.969 -1.412 18230 208 1 . 1 1 42 42 SER HA H 42 4.055 4.055 4.471 -0.416 18230 209 1 . 1 1 42 42 SER C C 42 176.537 176.537 176.523 0.014 18230 210 1 . 1 1 42 42 SER CA C 42 61.552 61.552 59.972 1.580 18230 211 1 . 1 1 42 42 SER CB C 42 62.783 62.783 64.143 -1.360 18230 212 1 . 1 1 42 42 SER H H 42 8.186 8.186 8.814 -0.629 18230 213 1 . 1 1 43 43 GLY N N 43 111.517 111.517 110.923 0.594 18230 214 1 . 1 1 43 43 GLY CA C 43 46.047 46.047 46.896 -0.849 18230 215 1 . 1 1 43 43 GLY H H 43 8.880 8.880 8.807 0.073 18230 216 1 . 1 1 44 44 PHE N N 44 122.405 122.405 119.614 2.791 18230 217 1 . 1 1 44 44 PHE HA H 44 4.357 4.357 4.192 0.165 18230 218 1 . 1 1 44 44 PHE C C 44 176.851 176.851 177.381 -0.530 18230 219 1 . 1 1 44 44 PHE CA C 44 59.835 59.835 61.185 -1.350 18230 220 1 . 1 1 44 44 PHE CB C 44 39.620 39.620 38.608 1.012 18230 221 1 . 1 1 44 44 PHE H H 44 7.972 7.972 8.037 -0.065 18230 222 1 . 1 1 45 45 LEU N N 45 119.444 119.444 118.535 0.909 18230 223 1 . 1 1 45 45 LEU HA H 45 3.929 3.929 4.160 -0.231 18230 224 1 . 1 1 45 45 LEU CA C 45 56.263 56.263 56.819 -0.557 18230 225 1 . 1 1 45 45 LEU CB C 45 41.957 41.957 41.340 0.617 18230 226 1 . 1 1 45 45 LEU H H 45 8.148 8.148 7.742 0.406 18230 227 1 . 1 1 46 46 ASP N N 46 120.023 120.023 120.254 -0.231 18230 228 1 . 1 1 46 46 ASP HA H 46 4.376 4.376 4.359 0.017 18230 229 1 . 1 1 46 46 ASP CA C 46 55.682 55.682 56.677 -0.995 18230 230 1 . 1 1 46 46 ASP CB C 46 40.788 40.788 40.894 -0.106 18230 231 1 . 1 1 46 46 ASP H H 46 8.307 8.307 8.486 -0.179 18230 232 1 . 1 1 47 47 ALA N N 47 121.156 121.156 121.021 0.135 18230 233 1 . 1 1 47 47 ALA HA H 47 4.156 4.156 4.080 0.076 18230 234 1 . 1 1 47 47 ALA CA C 47 52.913 52.913 54.122 -1.209 18230 235 1 . 1 1 47 47 ALA CB C 47 18.654 18.654 18.599 0.055 18230 236 1 . 1 1 47 47 ALA H H 47 7.606 7.606 7.709 -0.103 18230 237 1 . 1 1 48 48 GLN N N 48 116.408 116.408 117.482 -1.074 18230 238 1 . 1 1 48 48 GLN HA H 48 4.136 4.136 4.312 -0.176 18230 239 1 . 1 1 48 48 GLN C C 48 175.882 175.882 176.427 -0.545 18230 240 1 . 1 1 48 48 GLN CA C 48 55.362 55.362 55.415 -0.053 18230 241 1 . 1 1 48 48 GLN CB C 48 28.482 28.482 28.706 -0.224 18230 242 1 . 1 1 48 48 GLN H H 48 7.665 7.665 7.656 0.009 18230 243 1 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.028 0.101 18230 244 1 . 1 1 49 49 LYS CA C 49 56.706 56.706 57.863 -1.157 18230 245 1 . 1 1 49 49 LYS CB C 49 32.298 32.298 32.030 0.268 18230 246 1 . 1 1 50 50 ASP N N 50 118.824 118.824 119.369 -0.545 18230 247 1 . 1 1 50 50 ASP HA H 50 4.548 4.548 4.678 -0.130 18230 248 1 . 1 1 50 50 ASP CA C 50 53.965 53.965 54.020 -0.055 18230 249 1 . 1 1 50 50 ASP CB C 50 42.035 42.035 41.758 0.277 18230 250 1 . 1 1 50 50 ASP H H 50 7.982 7.982 7.942 0.040 18230 251 1 . 1 1 51 51 VAL N N 51 121.055 121.055 120.138 0.917 18230 252 1 . 1 1 51 51 VAL HA H 51 3.951 3.951 3.905 0.046 18230 253 1 . 1 1 51 51 VAL CA C 51 63.656 63.656 64.819 -1.163 18230 254 1 . 1 1 51 51 VAL CB C 51 32.000 32.000 31.947 0.054 18230 255 1 . 1 1 51 51 VAL H H 51 8.231 8.231 8.369 -0.138 18230 256 1 . 1 1 52 52 ASP N N 52 121.189 121.189 120.598 0.591 18230 257 1 . 1 1 52 52 ASP HA H 52 4.759 4.759 4.550 0.209 18230 258 1 . 1 1 52 52 ASP C C 52 176.367 176.367 177.400 -1.033 18230 259 1 . 1 1 52 52 ASP CA C 52 53.716 53.716 55.790 -2.074 18230 260 1 . 1 1 52 52 ASP CB C 52 40.399 40.399 39.495 0.904 18230 261 1 . 1 1 52 52 ASP H H 52 8.410 8.410 8.717 -0.307 18230 262 1 . 1 1 53 53 ALA N N 53 123.582 123.582 123.191 0.391 18230 263 1 . 1 1 53 53 ALA HA H 53 3.932 3.932 4.040 -0.108 18230 264 1 . 1 1 53 53 ALA C C 53 179.208 179.208 178.863 0.345 18230 265 1 . 1 1 53 53 ALA CA C 53 55.267 55.267 55.153 0.114 18230 266 1 . 1 1 53 53 ALA CB C 53 19.157 19.157 18.497 0.660 18230 267 1 . 1 1 53 53 ALA H H 53 7.755 7.755 7.449 0.306 18230 268 1 . 1 1 54 54 VAL N N 54 116.235 116.235 118.302 -2.067 18230 269 1 . 1 1 54 54 VAL HA H 54 3.455 3.455 3.676 -0.221 18230 270 1 . 1 1 54 54 VAL C C 54 176.432 176.432 176.696 -0.264 18230 271 1 . 1 1 54 54 VAL CA C 54 66.244 66.244 66.196 0.048 18230 272 1 . 1 1 54 54 VAL CB C 54 30.764 30.764 31.567 -0.803 18230 273 1 . 1 1 54 54 VAL H H 54 8.300 8.300 7.721 0.579 18230 274 1 . 1 1 55 55 ASP N N 55 120.594 120.594 119.414 1.180 18230 275 1 . 1 1 55 55 ASP HA H 55 4.155 4.155 4.343 -0.188 18230 276 1 . 1 1 55 55 ASP CA C 55 57.584 57.584 57.696 -0.112 18230 277 1 . 1 1 55 55 ASP CB C 55 40.830 40.830 40.243 0.587 18230 278 1 . 1 1 55 55 ASP H H 55 7.684 7.684 8.033 -0.349 18230 279 1 . 1 1 56 56 LYS N N 56 119.178 119.178 119.865 -0.687 18230 280 1 . 1 1 56 56 LYS HA H 56 3.928 3.928 4.048 -0.120 18230 281 1 . 1 1 56 56 LYS C C 56 178.697 178.697 179.298 -0.602 18230 282 1 . 1 1 56 56 LYS CA C 56 59.503 59.503 59.347 0.156 18230 283 1 . 1 1 56 56 LYS CB C 56 32.290 32.290 32.530 -0.240 18230 284 1 . 1 1 56 56 LYS H H 56 7.638 7.638 7.989 -0.351 18230 285 1 . 1 1 57 57 VAL N N 57 119.870 119.870 119.319 0.551 18230 286 1 . 1 1 57 57 VAL HA H 57 3.724 3.724 3.730 -0.006 18230 287 1 . 1 1 57 57 VAL C C 57 177.558 177.558 178.248 -0.690 18230 288 1 . 1 1 57 57 VAL CA C 57 65.926 65.926 66.514 -0.588 18230 289 1 . 1 1 57 57 VAL CB C 57 31.147 31.147 31.844 -0.697 18230 290 1 . 1 1 57 57 VAL H H 57 7.928 7.928 8.209 -0.281 18230 291 1 . 1 1 58 58 MET N N 58 118.736 118.736 118.242 0.494 18230 292 1 . 1 1 58 58 MET HA H 58 3.928 3.928 4.186 -0.258 18230 293 1 . 1 1 58 58 MET C C 58 177.021 177.021 177.817 -0.796 18230 294 1 . 1 1 58 58 MET CA C 58 58.534 58.534 58.840 -0.306 18230 295 1 . 1 1 58 58 MET CB C 58 32.065 32.065 32.060 0.005 18230 296 1 . 1 1 58 58 MET H H 58 8.443 8.443 8.389 0.054 18230 297 1 . 1 1 59 59 LYS N N 59 116.214 116.214 118.747 -2.533 18230 298 1 . 1 1 59 59 LYS HA H 59 3.968 3.968 3.974 -0.006 18230 299 1 . 1 1 59 59 LYS C C 59 178.893 178.893 178.451 0.442 18230 300 1 . 1 1 59 59 LYS CA C 59 58.866 58.866 59.225 -0.359 18230 301 1 . 1 1 59 59 LYS CB C 59 32.065 32.065 31.825 0.240 18230 302 1 . 1 1 59 59 LYS H H 59 7.629 7.629 7.982 -0.353 18230 303 1 . 1 1 60 60 GLU N N 60 117.288 117.288 117.533 -0.245 18230 304 1 . 1 1 60 60 GLU HA H 60 4.035 4.035 4.141 -0.106 18230 305 1 . 1 1 60 60 GLU C C 60 178.173 178.173 178.366 -0.193 18230 306 1 . 1 1 60 60 GLU CA C 60 58.229 58.229 58.381 -0.152 18230 307 1 . 1 1 60 60 GLU CB C 60 29.806 29.806 29.658 0.148 18230 308 1 . 1 1 60 60 GLU H H 60 7.599 7.599 7.594 0.005 18230 309 1 . 1 1 61 61 LEU N N 61 116.163 116.163 117.708 -1.545 18230 310 1 . 1 1 61 61 LEU HA H 61 4.370 4.370 4.163 0.207 18230 311 1 . 1 1 61 61 LEU C C 61 178.893 178.893 177.907 0.986 18230 312 1 . 1 1 61 61 LEU CA C 61 55.239 55.239 56.376 -1.137 18230 313 1 . 1 1 61 61 LEU CB C 61 43.941 43.941 42.267 1.674 18230 314 1 . 1 1 61 61 LEU H H 61 8.060 8.060 7.262 0.798 18230 315 1 . 1 1 62 62 ASP N N 62 116.934 116.934 118.377 -1.443 18230 316 1 . 1 1 62 62 ASP HA H 62 4.666 4.666 4.904 -0.238 18230 317 1 . 1 1 62 62 ASP CA C 62 53.245 53.245 53.744 -0.499 18230 318 1 . 1 1 62 62 ASP CB C 62 39.009 39.009 39.957 -0.948 18230 319 1 . 1 1 62 62 ASP H H 62 8.012 8.012 8.045 -0.033 18230 320 1 . 1 1 63 63 GLU N N 63 129.388 129.388 125.885 3.503 18230 321 1 . 1 1 63 63 GLU HA H 63 4.022 4.022 4.014 0.008 18230 322 1 . 1 1 63 63 GLU C C 63 177.519 177.519 177.906 -0.387 18230 323 1 . 1 1 63 63 GLU CA C 63 58.672 58.672 58.785 -0.113 18230 324 1 . 1 1 63 63 GLU CB C 63 30.507 30.507 29.933 0.574 18230 325 1 . 1 1 63 63 GLU H H 63 8.356 8.356 8.519 -0.163 18230 326 1 . 1 1 64 64 ASN N N 64 112.751 112.751 116.658 -3.907 18230 327 1 . 1 1 64 64 ASN HA H 64 4.733 4.733 4.528 0.205 18230 328 1 . 1 1 64 64 ASN C C 64 176.498 176.498 176.140 0.358 18230 329 1 . 1 1 64 64 ASN CA C 64 51.889 51.889 54.385 -2.496 18230 330 1 . 1 1 64 64 ASN CB C 64 37.172 37.172 39.024 -1.852 18230 331 1 . 1 1 64 64 ASN H H 64 7.997 7.997 7.899 0.098 18230 332 1 . 1 1 65 65 GLY N N 65 109.265 109.265 107.122 2.143 18230 333 1 . 1 1 65 65 GLY CA C 65 47.403 47.403 45.453 1.950 18230 334 1 . 1 1 65 65 GLY H H 65 7.552 7.552 8.332 -0.780 18230 335 1 . 1 1 66 66 ASP N N 66 119.331 119.331 120.996 -1.665 18230 336 1 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.573 -0.041 18230 337 1 . 1 1 66 66 ASP CA C 66 53.190 53.190 53.170 0.020 18230 338 1 . 1 1 66 66 ASP CB C 66 40.243 40.243 40.740 -0.497 18230 339 1 . 1 1 66 66 ASP H H 66 8.124 8.124 8.031 0.093 18230 340 1 . 1 1 67 67 GLY N N 67 113.348 113.348 108.719 4.629 18230 341 1 . 1 1 67 67 GLY CA C 67 45.604 45.604 45.584 0.020 18230 342 1 . 1 1 67 67 GLY H H 67 10.285 10.285 9.202 1.083 18230 343 1 . 1 1 68 68 GLU N N 68 117.060 117.060 119.292 -2.232 18230 344 1 . 1 1 68 68 GLU HA H 68 4.801 4.801 4.748 0.053 18230 345 1 . 1 1 68 68 GLU C C 68 175.176 175.176 175.058 0.118 18230 346 1 . 1 1 68 68 GLU CA C 68 54.510 54.510 54.800 -0.290 18230 347 1 . 1 1 68 68 GLU CB C 68 36.223 36.223 32.797 3.426 18230 348 1 . 1 1 68 68 GLU H H 68 7.732 7.732 8.519 -0.787 18230 349 1 . 1 1 69 69 VAL N N 69 125.264 125.264 122.522 2.742 18230 350 1 . 1 1 69 69 VAL HA H 69 5.240 5.240 4.738 0.502 18230 351 1 . 1 1 69 69 VAL C C 69 175.961 175.961 175.094 0.867 18230 352 1 . 1 1 69 69 VAL CA C 69 61.144 61.144 60.823 0.321 18230 353 1 . 1 1 69 69 VAL CB C 69 33.685 33.685 33.383 0.302 18230 354 1 . 1 1 69 69 VAL H H 69 9.392 9.392 8.857 0.535 18230 355 1 . 1 1 70 70 ASP N N 70 129.378 129.378 125.715 3.663 18230 356 1 . 1 1 70 70 ASP HA H 70 5.161 5.161 4.989 0.172 18230 357 1 . 1 1 70 70 ASP C C 70 175.032 175.032 176.774 -1.742 18230 358 1 . 1 1 70 70 ASP CA C 70 52.415 52.415 52.307 0.108 18230 359 1 . 1 1 70 70 ASP CB C 70 41.839 41.839 43.227 -1.388 18230 360 1 . 1 1 70 70 ASP H H 70 9.112 9.112 8.663 0.449 18230 361 1 . 1 1 71 71 PHE N N 71 118.452 118.452 122.336 -3.884 18230 362 1 . 1 1 71 71 PHE HA H 71 2.913 2.913 3.059 -0.146 18230 363 1 . 1 1 71 71 PHE C C 71 176.576 176.576 176.830 -0.254 18230 364 1 . 1 1 71 71 PHE CA C 71 63.434 63.434 60.623 2.811 18230 365 1 . 1 1 71 71 PHE CB C 71 39.231 39.231 38.922 0.309 18230 366 1 . 1 1 71 71 PHE H H 71 8.948 8.948 8.891 0.057 18230 367 1 . 1 1 72 72 GLN N N 72 116.934 116.934 117.895 -0.961 18230 368 1 . 1 1 72 72 GLN HA H 72 3.688 3.688 3.835 -0.147 18230 369 1 . 1 1 72 72 GLN C C 72 178.056 178.056 178.284 -0.228 18230 370 1 . 1 1 72 72 GLN CA C 72 59.593 59.593 59.607 -0.014 18230 371 1 . 1 1 72 72 GLN CB C 72 28.164 28.164 28.050 0.114 18230 372 1 . 1 1 72 72 GLN H H 72 8.012 8.012 8.532 -0.520 18230 373 1 . 1 1 73 73 GLU N N 73 120.208 120.208 120.586 -0.378 18230 374 1 . 1 1 73 73 GLU HA H 73 4.066 4.066 4.041 0.025 18230 375 1 . 1 1 73 73 GLU CA C 73 58.506 58.506 59.624 -1.118 18230 376 1 . 1 1 73 73 GLU CB C 73 30.117 30.117 29.565 0.552 18230 377 1 . 1 1 73 73 GLU H H 73 8.308 8.308 8.533 -0.225 18230 378 1 . 1 1 74 74 TYR N N 74 121.623 121.623 121.605 0.018 18230 379 1 . 1 1 74 74 TYR HA H 74 4.089 4.089 4.199 -0.110 18230 380 1 . 1 1 74 74 TYR C C 74 176.485 176.485 177.590 -1.105 18230 381 1 . 1 1 74 74 TYR CA C 74 59.475 59.475 61.735 -2.260 18230 382 1 . 1 1 74 74 TYR CB C 74 38.006 38.006 38.756 -0.750 18230 383 1 . 1 1 74 74 TYR H H 74 8.339 8.339 8.608 -0.270 18230 384 1 . 1 1 75 75 VAL N N 75 120.827 120.827 119.672 1.155 18230 385 1 . 1 1 75 75 VAL HA H 75 2.874 2.874 3.655 -0.781 18230 386 1 . 1 1 75 75 VAL C C 75 176.563 176.563 177.750 -1.187 18230 387 1 . 1 1 75 75 VAL CA C 75 66.354 66.354 66.996 -0.642 18230 388 1 . 1 1 75 75 VAL CB C 75 30.651 30.651 31.797 -1.146 18230 389 1 . 1 1 75 75 VAL H H 75 8.088 8.088 8.401 -0.313 18230 390 1 . 1 1 76 76 VAL N N 76 120.216 120.216 118.159 2.057 18230 391 1 . 1 1 76 76 VAL HA H 76 3.415 3.415 3.689 -0.274 18230 392 1 . 1 1 76 76 VAL C C 76 178.645 178.645 177.509 1.136 18230 393 1 . 1 1 76 76 VAL CA C 76 66.858 66.858 66.209 0.649 18230 394 1 . 1 1 76 76 VAL CB C 76 31.300 31.300 31.036 0.264 18230 395 1 . 1 1 76 76 VAL H H 76 7.132 7.132 7.992 -0.860 18230 396 1 . 1 1 77 77 LEU N N 77 120.900 120.900 121.904 -1.004 18230 397 1 . 1 1 77 77 LEU HA H 77 4.028 4.028 3.923 0.105 18230 398 1 . 1 1 77 77 LEU C C 77 177.362 177.362 178.353 -0.991 18230 399 1 . 1 1 77 77 LEU CA C 77 57.675 57.675 58.292 -0.617 18230 400 1 . 1 1 77 77 LEU CB C 77 40.555 40.555 41.531 -0.976 18230 401 1 . 1 1 77 77 LEU H H 77 6.860 6.860 7.893 -1.033 18230 402 1 . 1 1 78 78 VAL N N 78 116.991 116.991 115.980 1.011 18230 403 1 . 1 1 78 78 VAL HA H 78 3.123 3.123 3.489 -0.366 18230 404 1 . 1 1 78 78 VAL C C 78 179.142 179.142 177.764 1.378 18230 405 1 . 1 1 78 78 VAL CA C 78 66.828 66.828 65.648 1.181 18230 406 1 . 1 1 78 78 VAL CB C 78 31.301 31.301 30.576 0.725 18230 407 1 . 1 1 78 78 VAL H H 78 7.519 7.519 7.950 -0.431 18230 408 1 . 1 1 79 79 ALA N N 79 124.679 124.679 123.368 1.311 18230 409 1 . 1 1 79 79 ALA HA H 79 3.687 3.687 4.017 -0.330 18230 410 1 . 1 1 79 79 ALA C C 79 178.213 178.213 179.038 -0.825 18230 411 1 . 1 1 79 79 ALA CA C 79 56.008 56.008 54.928 1.080 18230 412 1 . 1 1 79 79 ALA CB C 79 17.817 17.817 18.277 -0.461 18230 413 1 . 1 1 79 79 ALA H H 79 8.964 8.964 8.187 0.777 18230 414 1 . 1 1 80 80 ALA N N 80 120.376 120.376 121.462 -1.086 18230 415 1 . 1 1 80 80 ALA HA H 80 4.034 4.034 4.068 -0.034 18230 416 1 . 1 1 80 80 ALA C C 80 181.852 181.852 179.644 2.208 18230 417 1 . 1 1 80 80 ALA CA C 80 55.283 55.283 54.994 0.289 18230 418 1 . 1 1 80 80 ALA CB C 80 17.800 17.800 18.335 -0.535 18230 419 1 . 1 1 80 80 ALA H H 80 7.794 7.794 8.387 -0.593 18230 420 1 . 1 1 81 81 LEU N N 81 119.275 119.275 118.521 0.754 18230 421 1 . 1 1 81 81 LEU HA H 81 4.040 4.040 4.033 0.007 18230 422 1 . 1 1 81 81 LEU C C 81 179.168 179.168 179.321 -0.153 18230 423 1 . 1 1 81 81 LEU CA C 81 57.345 57.345 57.981 -0.636 18230 424 1 . 1 1 81 81 LEU CB C 81 41.645 41.645 41.073 0.572 18230 425 1 . 1 1 81 81 LEU H H 81 8.494 8.494 8.290 0.204 18230 426 1 . 1 1 82 82 THR N N 82 119.781 119.781 116.509 3.272 18230 427 1 . 1 1 82 82 THR HA H 82 3.800 3.800 3.903 -0.103 18230 428 1 . 1 1 82 82 THR CA C 82 68.473 68.473 67.133 1.340 18230 429 1 . 1 1 82 82 THR CB C 82 67.796 67.796 68.445 -0.649 18230 430 1 . 1 1 82 82 THR H H 82 8.418 8.418 7.896 0.522 18230 431 1 . 1 1 83 83 VAL N N 83 122.419 122.419 121.554 0.865 18230 432 1 . 1 1 83 83 VAL HA H 83 3.702 3.702 3.726 -0.024 18230 433 1 . 1 1 83 83 VAL C C 83 177.781 177.781 176.912 0.869 18230 434 1 . 1 1 83 83 VAL CA C 83 67.311 67.311 65.631 1.680 18230 435 1 . 1 1 83 83 VAL CB C 83 31.675 31.675 31.368 0.307 18230 436 1 . 1 1 83 83 VAL H H 83 8.164 8.164 8.142 0.022 18230 437 1 . 1 1 84 84 ALA N N 84 121.470 121.470 121.867 -0.397 18230 438 1 . 1 1 84 84 ALA HA H 84 4.148 4.148 4.061 0.087 18230 439 1 . 1 1 84 84 ALA C C 84 180.032 180.032 179.385 0.647 18230 440 1 . 1 1 84 84 ALA CA C 84 55.105 55.105 55.177 -0.072 18230 441 1 . 1 1 84 84 ALA CB C 84 17.798 17.798 17.851 -0.052 18230 442 1 . 1 1 84 84 ALA H H 84 7.877 7.877 8.357 -0.480 18230 443 1 . 1 1 85 85 CYS N N 85 117.473 117.473 119.071 -1.598 18230 444 1 . 1 1 85 85 CYS HA H 85 4.424 4.424 4.361 0.063 18230 445 1 . 1 1 85 85 CYS C C 85 176.092 176.092 176.857 -0.765 18230 446 1 . 1 1 85 85 CYS CA C 85 57.980 57.980 63.031 -5.051 18230 447 1 . 1 1 85 85 CYS CB C 85 40.555 40.555 26.118 14.437 18230 448 1 . 1 1 85 85 CYS H H 85 8.370 8.370 8.335 0.035 18230 449 1 . 1 1 86 86 ASN N N 86 119.886 119.886 118.802 1.084 18230 450 1 . 1 1 86 86 ASN HA H 86 4.236 4.236 4.504 -0.268 18230 451 1 . 1 1 86 86 ASN CA C 86 57.260 57.260 56.831 0.429 18230 452 1 . 1 1 86 86 ASN CB C 86 39.678 39.678 38.397 1.281 18230 453 1 . 1 1 87 87 ASN N N 87 117.136 117.136 118.808 -1.672 18230 454 1 . 1 1 87 87 ASN HA H 87 4.400 4.400 4.533 -0.133 18230 455 1 . 1 1 87 87 ASN CA C 87 55.032 55.032 56.175 -1.143 18230 456 1 . 1 1 87 87 ASN CB C 87 37.829 37.829 38.213 -0.384 18230 457 1 . 1 1 87 87 ASN H H 87 8.136 8.136 8.378 -0.242 18230 458 1 . 1 1 88 88 PHE N N 88 119.001 119.001 120.827 -1.826 18230 459 1 . 1 1 88 88 PHE HA H 88 4.290 4.290 4.333 -0.043 18230 460 1 . 1 1 88 88 PHE CA C 88 59.697 59.697 61.236 -1.538 18230 461 1 . 1 1 88 88 PHE CB C 88 39.206 39.206 39.043 0.163 18230 462 1 . 1 1 88 88 PHE H H 88 7.865 7.865 8.173 -0.308 18230 463 1 . 1 1 89 89 PHE N N 89 118.050 118.050 119.278 -1.228 18230 464 1 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.170 0.040 18230 465 1 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.286 -1.786 18230 466 1 . 1 1 89 89 PHE CB C 89 39.487 39.487 39.631 -0.144 18230 467 1 . 1 1 89 89 PHE H H 89 7.924 7.924 8.308 -0.384 18230 468 1 . 1 1 90 90 TRP N N 90 119.104 119.104 119.892 -0.788 18230 469 1 . 1 1 90 90 TRP HA H 90 4.476 4.476 4.441 0.035 18230 470 1 . 1 1 90 90 TRP CA C 90 57.688 57.688 59.509 -1.821 18230 471 1 . 1 1 90 90 TRP CB C 90 29.494 29.494 30.412 -0.918 18230 472 1 . 1 1 90 90 TRP H H 90 7.848 7.848 8.348 -0.500 18230 473 1 . 1 1 91 91 GLU N N 91 120.457 120.457 118.281 2.176 18230 474 1 . 1 1 91 91 GLU HA H 91 4.129 4.129 4.488 -0.359 18230 475 1 . 1 1 91 91 GLU CA C 91 57.039 57.039 55.764 1.275 18230 476 1 . 1 1 91 91 GLU CB C 91 30.033 30.033 31.181 -1.148 18230 477 1 . 1 1 91 91 GLU H H 91 7.816 7.816 8.107 -0.291 18230 478 1 . 1 1 92 92 ASN N N 92 125.418 125.418 119.875 5.543 18230 479 1 . 1 1 92 92 ASN HA H 92 4.410 4.410 4.478 -0.068 18230 480 1 . 1 1 92 92 ASN CA C 92 54.731 54.731 53.648 1.083 18230 481 1 . 1 1 92 92 ASN CB C 92 41.074 41.074 38.952 2.122 18230 482 1 . 1 1 92 92 ASN H H 92 7.846 7.846 8.487 -0.641 18230 stop_ save_