data_19486 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19486 _Entry.PDB_ID 2MDG 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 19486 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY N N 2 110.487 110.487 110.422 0.065 19486 2 1 1 . 1 1 2 2 GLY C C 2 169.148 169.148 173.536 -4.388 19486 3 1 1 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.749 0.330 19486 4 1 1 . 1 1 2 2 GLY H H 2 8.216 8.216 8.653 -0.437 19486 5 1 1 . 1 1 3 3 SER N N 3 114.424 114.424 116.893 -2.469 19486 6 1 1 . 1 1 3 3 SER HA H 3 4.357 4.357 4.596 -0.239 19486 7 1 1 . 1 1 3 3 SER C C 3 169.812 169.812 173.756 -3.944 19486 8 1 1 . 1 1 3 3 SER CA C 3 58.382 58.382 58.400 -0.018 19486 9 1 1 . 1 1 3 3 SER CB C 3 64.088 64.088 64.259 -0.171 19486 10 1 1 . 1 1 3 3 SER H H 3 7.996 7.996 8.203 -0.207 19486 11 1 1 . 1 1 4 4 HIS N N 4 122.476 122.476 126.220 -3.744 19486 12 1 1 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.367 0.241 19486 13 1 1 . 1 1 4 4 HIS C C 4 170.682 170.682 173.658 -2.976 19486 14 1 1 . 1 1 4 4 HIS CA C 4 55.362 55.362 56.321 -0.959 19486 15 1 1 . 1 1 4 4 HIS CB C 4 30.816 30.816 28.317 2.499 19486 16 1 1 . 1 1 4 4 HIS H H 4 8.315 8.315 8.465 -0.150 19486 17 1 1 . 1 1 5 5 LYS N N 5 125.975 125.975 121.631 4.344 19486 18 1 1 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.555 0.200 19486 19 1 1 . 1 1 5 5 LYS C C 5 172.684 172.684 175.220 -2.536 19486 20 1 1 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.482 1.181 19486 21 1 1 . 1 1 5 5 LYS CB C 5 35.248 35.248 35.605 -0.357 19486 22 1 1 . 1 1 5 5 LYS H H 5 8.655 8.655 7.586 1.069 19486 23 1 1 . 1 1 6 6 CYS N N 6 127.588 127.588 126.364 1.224 19486 24 1 1 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.513 -0.057 19486 25 1 1 . 1 1 6 6 CYS C C 6 175.723 175.723 176.470 -0.747 19486 26 1 1 . 1 1 6 6 CYS CA C 6 60.218 60.218 59.339 0.879 19486 27 1 1 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.825 2.888 19486 28 1 1 . 1 1 6 6 CYS H H 6 9.046 9.046 9.115 -0.069 19486 29 1 1 . 1 1 7 7 ASN N N 7 128.450 128.450 127.015 1.435 19486 30 1 1 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.410 0.198 19486 31 1 1 . 1 1 7 7 ASN C C 7 172.781 172.781 175.444 -2.663 19486 32 1 1 . 1 1 7 7 ASN CA C 7 55.018 55.018 55.267 -0.249 19486 33 1 1 . 1 1 7 7 ASN CB C 7 38.141 38.141 37.788 0.352 19486 34 1 1 . 1 1 7 7 ASN H H 7 9.075 9.075 8.827 0.248 19486 35 1 1 . 1 1 8 8 VAL N N 8 123.473 123.473 119.492 3.981 19486 36 1 1 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.857 -0.052 19486 37 1 1 . 1 1 8 8 VAL C C 8 176.694 176.694 177.100 -0.406 19486 38 1 1 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.572 0.454 19486 39 1 1 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.282 1.681 19486 40 1 1 . 1 1 8 8 VAL H H 8 9.223 9.223 8.009 1.214 19486 41 1 1 . 1 1 9 9 CYS N N 9 118.379 118.379 115.799 2.580 19486 42 1 1 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.601 0.558 19486 43 1 1 . 1 1 9 9 CYS C C 9 173.754 173.754 175.321 -1.567 19486 44 1 1 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.431 -0.980 19486 45 1 1 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.909 3.435 19486 46 1 1 . 1 1 9 9 CYS H H 9 8.457 8.457 7.910 0.547 19486 47 1 1 . 1 1 10 10 SER N N 10 114.054 114.054 111.945 2.109 19486 48 1 1 . 1 1 10 10 SER HA H 10 4.260 4.260 4.208 0.052 19486 49 1 1 . 1 1 10 10 SER C C 10 169.209 169.209 175.588 -6.379 19486 50 1 1 . 1 1 10 10 SER CA C 10 61.286 61.286 59.896 1.390 19486 51 1 1 . 1 1 10 10 SER CB C 10 62.173 62.173 61.480 0.693 19486 52 1 1 . 1 1 10 10 SER H H 10 7.910 7.910 8.650 -0.740 19486 53 1 1 . 1 1 11 11 ARG N N 11 122.514 122.514 119.503 3.011 19486 54 1 1 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.140 -0.062 19486 55 1 1 . 1 1 11 11 ARG C C 11 172.193 172.193 176.735 -4.542 19486 56 1 1 . 1 1 11 11 ARG CA C 11 57.889 57.889 58.485 -0.596 19486 57 1 1 . 1 1 11 11 ARG CB C 11 31.569 31.569 30.391 1.178 19486 58 1 1 . 1 1 11 11 ARG H H 11 8.047 8.047 8.450 -0.403 19486 59 1 1 . 1 1 12 12 THR N N 12 111.399 111.399 107.947 3.452 19486 60 1 1 . 1 1 12 12 THR HA H 12 4.896 4.896 4.333 0.563 19486 61 1 1 . 1 1 12 12 THR C C 12 168.910 168.910 172.089 -3.179 19486 62 1 1 . 1 1 12 12 THR CA C 12 60.396 60.396 61.038 -0.643 19486 63 1 1 . 1 1 12 12 THR CB C 12 71.239 71.239 69.296 1.943 19486 64 1 1 . 1 1 12 12 THR H H 12 7.716 7.716 7.608 0.108 19486 65 1 1 . 1 1 13 13 PHE N N 13 118.814 118.814 117.243 1.571 19486 66 1 1 . 1 1 13 13 PHE HA H 13 4.440 4.440 5.001 -0.561 19486 67 1 1 . 1 1 13 13 PHE C C 13 173.256 173.256 173.806 -0.550 19486 68 1 1 . 1 1 13 13 PHE CA C 13 57.579 57.579 57.210 0.369 19486 69 1 1 . 1 1 13 13 PHE CB C 13 43.109 43.109 39.934 3.175 19486 70 1 1 . 1 1 13 13 PHE H H 13 8.527 8.527 7.993 0.534 19486 71 1 1 . 1 1 14 14 PHE N N 14 119.476 119.476 121.765 -2.289 19486 72 1 1 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.457 0.343 19486 73 1 1 . 1 1 14 14 PHE C C 14 173.255 173.255 175.273 -2.018 19486 74 1 1 . 1 1 14 14 PHE CA C 14 59.206 59.206 59.497 -0.291 19486 75 1 1 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.620 -0.184 19486 76 1 1 . 1 1 14 14 PHE H H 14 8.975 8.975 8.521 0.454 19486 77 1 1 . 1 1 15 15 SER N N 15 111.316 111.316 112.453 -1.137 19486 78 1 1 . 1 1 15 15 SER HA H 15 4.573 4.573 4.791 -0.218 19486 79 1 1 . 1 1 15 15 SER C C 15 169.172 169.172 174.549 -5.377 19486 80 1 1 . 1 1 15 15 SER CA C 15 55.948 55.948 57.693 -1.745 19486 81 1 1 . 1 1 15 15 SER CB C 15 67.029 67.029 64.447 2.582 19486 82 1 1 . 1 1 15 15 SER H H 15 7.813 7.813 7.920 -0.107 19486 83 1 1 . 1 1 16 16 GLU N N 16 123.055 123.055 122.234 0.821 19486 84 1 1 . 1 1 16 16 GLU HA H 16 3.420 3.420 3.917 -0.497 19486 85 1 1 . 1 1 16 16 GLU C C 16 179.932 179.932 177.780 2.152 19486 86 1 1 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.777 -0.483 19486 87 1 1 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.584 -0.546 19486 88 1 1 . 1 1 16 16 GLU H H 16 8.755 8.755 8.773 -0.018 19486 89 1 1 . 1 1 17 17 ASN N N 17 117.537 117.537 117.817 -0.280 19486 90 1 1 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.642 -0.357 19486 91 1 1 . 1 1 17 17 ASN C C 17 177.403 177.403 177.600 -0.197 19486 92 1 1 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.469 0.974 19486 93 1 1 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.576 0.378 19486 94 1 1 . 1 1 17 17 ASN H H 17 8.548 8.548 8.530 0.018 19486 95 1 1 . 1 1 18 18 GLY N N 18 108.587 108.587 109.313 -0.726 19486 96 1 1 . 1 1 18 18 GLY C C 18 175.491 175.491 176.617 -1.126 19486 97 1 1 . 1 1 18 18 GLY CA C 18 46.689 46.689 47.107 -0.418 19486 98 1 1 . 1 1 18 18 GLY H H 18 8.038 8.038 8.470 -0.432 19486 99 1 1 . 1 1 19 19 LEU N N 19 123.120 123.120 122.729 0.391 19486 100 1 1 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.272 -1.055 19486 101 1 1 . 1 1 19 19 LEU C C 19 176.975 176.975 178.914 -1.939 19486 102 1 1 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.606 0.168 19486 103 1 1 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.638 -0.743 19486 104 1 1 . 1 1 19 19 LEU H H 19 7.240 7.240 8.163 -0.923 19486 105 1 1 . 1 1 20 20 ARG N N 20 119.506 119.506 118.278 1.228 19486 106 1 1 . 1 1 20 20 ARG HA H 20 3.784 3.784 4.001 -0.217 19486 107 1 1 . 1 1 20 20 ARG C C 20 181.705 181.705 178.955 2.750 19486 108 1 1 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.695 1.688 19486 109 1 1 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.318 0.609 19486 110 1 1 . 1 1 20 20 ARG H H 20 8.426 8.426 7.680 0.746 19486 111 1 1 . 1 1 21 21 GLU N N 21 117.954 117.954 119.068 -1.114 19486 112 1 1 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.119 -0.179 19486 113 1 1 . 1 1 21 21 GLU C C 21 180.973 180.973 179.361 1.612 19486 114 1 1 . 1 1 21 21 GLU CA C 21 59.155 59.155 59.043 0.112 19486 115 1 1 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.592 0.030 19486 116 1 1 . 1 1 21 21 GLU H H 21 7.961 7.961 8.197 -0.236 19486 117 1 1 . 1 1 22 22 HIS N N 22 119.084 119.084 120.095 -1.011 19486 118 1 1 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.397 -0.161 19486 119 1 1 . 1 1 22 22 HIS C C 22 179.182 179.182 177.720 1.462 19486 120 1 1 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.909 -0.049 19486 121 1 1 . 1 1 22 22 HIS CB C 22 28.259 28.259 30.004 -1.745 19486 122 1 1 . 1 1 22 22 HIS H H 22 7.434 7.434 7.899 -0.465 19486 123 1 1 . 1 1 23 23 LEU N N 23 122.153 122.153 120.325 1.828 19486 124 1 1 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.181 -0.416 19486 125 1 1 . 1 1 23 23 LEU C C 23 181.265 181.265 178.457 2.808 19486 126 1 1 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.129 1.458 19486 127 1 1 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.636 0.204 19486 128 1 1 . 1 1 23 23 LEU H H 23 8.835 8.835 8.189 0.646 19486 129 1 1 . 1 1 24 24 GLN N N 24 115.740 115.740 117.142 -1.402 19486 130 1 1 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.077 -0.069 19486 131 1 1 . 1 1 24 24 GLN C C 24 178.454 178.454 178.195 0.259 19486 132 1 1 . 1 1 24 24 GLN CA C 24 57.970 57.970 57.904 0.066 19486 133 1 1 . 1 1 24 24 GLN CB C 24 28.431 28.431 27.865 0.566 19486 134 1 1 . 1 1 24 24 GLN H H 24 7.142 7.142 7.843 -0.701 19486 135 1 1 . 1 1 25 25 THR N N 25 109.376 109.376 111.604 -2.228 19486 136 1 1 . 1 1 25 25 THR HA H 25 4.129 4.129 3.947 0.182 19486 137 1 1 . 1 1 25 25 THR C C 25 173.471 173.471 175.270 -1.799 19486 138 1 1 . 1 1 25 25 THR CA C 25 63.754 63.754 64.594 -0.840 19486 139 1 1 . 1 1 25 25 THR CB C 25 69.467 69.467 68.350 1.117 19486 140 1 1 . 1 1 25 25 THR H H 25 7.801 7.801 7.703 0.098 19486 141 1 1 . 1 1 26 26 HIS N N 26 118.158 118.158 118.913 -0.755 19486 142 1 1 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.841 0.050 19486 143 1 1 . 1 1 26 26 HIS C C 26 171.847 171.847 175.274 -3.427 19486 144 1 1 . 1 1 26 26 HIS CA C 26 55.083 55.083 55.391 -0.308 19486 145 1 1 . 1 1 26 26 HIS CB C 26 28.686 28.686 30.304 -1.618 19486 146 1 1 . 1 1 26 26 HIS H H 26 7.095 7.095 7.535 -0.440 19486 147 1 1 . 1 1 27 27 ARG N N 27 120.083 120.083 120.909 -0.826 19486 148 1 1 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.233 0.167 19486 149 1 1 . 1 1 27 27 ARG C C 27 175.194 175.194 177.001 -1.807 19486 150 1 1 . 1 1 27 27 ARG CA C 27 56.387 56.387 57.452 -1.065 19486 151 1 1 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.265 0.995 19486 152 1 1 . 1 1 27 27 ARG H H 27 7.630 7.630 7.359 0.271 19486 153 1 1 . 1 1 28 28 GLY N N 28 109.773 109.773 109.735 0.038 19486 154 1 1 . 1 1 28 28 GLY CA C 28 44.632 44.632 43.680 0.952 19486 155 1 1 . 1 1 28 28 GLY H H 28 8.217 8.217 8.115 0.102 19486 156 1 1 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.431 -0.044 19486 157 1 1 . 1 1 29 29 PRO C C 29 176.069 176.069 176.373 -0.304 19486 158 1 1 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.870 0.160 19486 159 1 1 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.668 -0.441 19486 160 1 1 . 1 1 30 30 ALA N N 30 124.277 124.277 124.272 0.005 19486 161 1 1 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.405 -0.214 19486 162 1 1 . 1 1 30 30 ALA C C 30 177.466 177.466 177.344 0.122 19486 163 1 1 . 1 1 30 30 ALA CA C 30 52.423 52.423 52.211 0.212 19486 164 1 1 . 1 1 30 30 ALA CB C 30 19.185 19.185 19.017 0.168 19486 165 1 1 . 1 1 30 30 ALA H H 30 8.312 8.312 8.416 -0.104 19486 166 1 1 . 1 1 31 31 LYS N N 31 120.503 120.503 120.845 -0.342 19486 167 1 1 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.475 -0.322 19486 168 1 1 . 1 1 31 31 LYS C C 31 173.444 173.444 175.231 -1.787 19486 169 1 1 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.200 -0.230 19486 170 1 1 . 1 1 31 31 LYS CB C 31 33.189 33.189 32.850 0.339 19486 171 1 1 . 1 1 31 31 LYS H H 31 8.160 8.160 7.818 0.342 19486 172 1 1 . 1 1 32 32 HIS N N 32 118.745 118.745 123.070 -4.325 19486 173 1 1 . 1 1 32 32 HIS HA H 32 4.642 4.642 5.148 -0.506 19486 174 1 1 . 1 1 32 32 HIS C C 32 171.199 171.199 173.104 -1.905 19486 175 1 1 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.876 -0.235 19486 176 1 1 . 1 1 32 32 HIS CB C 32 32.293 32.293 32.363 -0.070 19486 177 1 1 . 1 1 32 32 HIS H H 32 7.888 7.888 8.578 -0.690 19486 178 1 1 . 1 1 33 33 TYR N N 33 120.158 120.158 125.214 -5.056 19486 179 1 1 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.471 0.073 19486 180 1 1 . 1 1 33 33 TYR C C 33 172.174 172.174 173.132 -0.958 19486 181 1 1 . 1 1 33 33 TYR CA C 33 57.776 57.776 57.001 0.775 19486 182 1 1 . 1 1 33 33 TYR CB C 33 39.394 39.394 43.016 -3.622 19486 183 1 1 . 1 1 33 33 TYR H H 33 8.672 8.672 8.725 -0.053 19486 184 1 1 . 1 1 34 34 MET N N 34 123.629 123.629 125.370 -1.741 19486 185 1 1 . 1 1 34 34 MET HA H 34 5.113 5.113 4.952 0.161 19486 186 1 1 . 1 1 34 34 MET C C 34 172.661 172.661 174.804 -2.143 19486 187 1 1 . 1 1 34 34 MET CA C 34 54.285 54.285 53.844 0.441 19486 188 1 1 . 1 1 34 34 MET CB C 34 35.606 35.606 34.556 1.050 19486 189 1 1 . 1 1 34 34 MET H H 34 8.770 8.770 7.881 0.889 19486 190 1 1 . 1 1 35 35 CYS N N 35 128.648 128.648 128.066 0.582 19486 191 1 1 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.803 0.011 19486 192 1 1 . 1 1 35 35 CYS CA C 35 57.229 57.229 56.978 0.251 19486 193 1 1 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.786 2.627 19486 194 1 1 . 1 1 35 35 CYS H H 35 9.412 9.412 8.693 0.719 19486 195 1 1 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.341 0.186 19486 196 1 1 . 1 1 36 36 PRO C C 36 175.359 175.359 176.726 -1.367 19486 197 1 1 . 1 1 36 36 PRO CA C 36 64.130 64.130 64.986 -0.856 19486 198 1 1 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.868 0.459 19486 199 1 1 . 1 1 37 37 ILE N N 37 121.680 121.680 118.079 3.601 19486 200 1 1 . 1 1 37 37 ILE HA H 37 3.906 3.906 4.131 -0.225 19486 201 1 1 . 1 1 37 37 ILE C C 37 176.316 176.316 177.316 -1.000 19486 202 1 1 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.593 0.567 19486 203 1 1 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.916 -0.583 19486 204 1 1 . 1 1 37 37 ILE H H 37 8.802 8.802 7.984 0.818 19486 205 1 1 . 1 1 38 38 CYS N N 38 115.962 115.962 115.187 0.775 19486 206 1 1 . 1 1 38 38 CYS HA H 38 5.137 5.137 5.021 0.116 19486 207 1 1 . 1 1 38 38 CYS C C 38 175.994 175.994 175.957 0.037 19486 208 1 1 . 1 1 38 38 CYS CA C 38 58.260 58.260 57.153 1.107 19486 209 1 1 . 1 1 38 38 CYS CB C 38 32.806 32.806 28.968 3.838 19486 210 1 1 . 1 1 38 38 CYS H H 38 8.070 8.070 8.137 -0.067 19486 211 1 1 . 1 1 39 39 GLY N N 39 113.286 113.286 112.379 0.907 19486 212 1 1 . 1 1 39 39 GLY C C 39 169.495 169.495 174.685 -5.190 19486 213 1 1 . 1 1 39 39 GLY CA C 39 46.446 46.446 46.406 0.040 19486 214 1 1 . 1 1 39 39 GLY H H 39 8.113 8.113 8.146 -0.033 19486 215 1 1 . 1 1 40 40 GLU N N 40 122.500 122.500 118.793 3.707 19486 216 1 1 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.330 -0.302 19486 217 1 1 . 1 1 40 40 GLU C C 40 171.486 171.486 176.204 -4.718 19486 218 1 1 . 1 1 40 40 GLU CA C 40 57.719 57.719 55.125 2.594 19486 219 1 1 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.532 -0.097 19486 220 1 1 . 1 1 40 40 GLU H H 40 8.119 8.119 8.314 -0.195 19486 221 1 1 . 1 1 41 41 ARG N N 41 120.904 120.904 120.967 -0.063 19486 222 1 1 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.686 0.252 19486 223 1 1 . 1 1 41 41 ARG C C 41 173.428 173.428 175.927 -2.499 19486 224 1 1 . 1 1 41 41 ARG CA C 41 55.153 55.153 56.503 -1.350 19486 225 1 1 . 1 1 41 41 ARG CB C 41 32.810 32.810 30.953 1.857 19486 226 1 1 . 1 1 41 41 ARG H H 41 8.051 8.051 8.609 -0.558 19486 227 1 1 . 1 1 42 42 PHE N N 42 119.481 119.481 124.725 -5.244 19486 228 1 1 . 1 1 42 42 PHE HA H 42 4.688 4.688 5.035 -0.347 19486 229 1 1 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.196 1.541 19486 230 1 1 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.250 0.726 19486 231 1 1 . 1 1 42 42 PHE H H 42 8.856 8.856 8.668 0.188 19486 232 1 1 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.485 0.304 19486 233 1 1 . 1 1 43 43 PRO C C 43 174.319 174.319 176.197 -1.878 19486 234 1 1 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.785 -0.118 19486 235 1 1 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.074 0.729 19486 236 1 1 . 1 1 44 44 SER N N 44 110.500 110.500 112.822 -2.322 19486 237 1 1 . 1 1 44 44 SER HA H 44 4.601 4.601 4.683 -0.082 19486 238 1 1 . 1 1 44 44 SER C C 44 166.956 166.956 172.906 -5.950 19486 239 1 1 . 1 1 44 44 SER CA C 44 55.700 55.700 57.044 -1.344 19486 240 1 1 . 1 1 44 44 SER CB C 44 67.018 67.018 65.915 1.103 19486 241 1 1 . 1 1 44 44 SER H H 44 7.246 7.246 7.738 -0.492 19486 242 1 1 . 1 1 45 45 LEU N N 45 122.780 122.780 122.779 0.001 19486 243 1 1 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.379 -0.874 19486 244 1 1 . 1 1 45 45 LEU C C 45 181.968 181.968 175.303 6.665 19486 245 1 1 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.354 2.918 19486 246 1 1 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.270 0.907 19486 247 1 1 . 1 1 45 45 LEU H H 45 8.272 8.272 8.875 -0.603 19486 248 1 1 . 1 1 46 46 LEU N N 46 121.552 121.552 118.378 3.174 19486 249 1 1 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.496 -0.462 19486 250 1 1 . 1 1 46 46 LEU C C 46 180.359 180.359 177.818 2.541 19486 251 1 1 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.216 2.420 19486 252 1 1 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.747 -1.632 19486 253 1 1 . 1 1 46 46 LEU H H 46 8.289 8.289 7.587 0.702 19486 254 1 1 . 1 1 47 47 THR N N 47 109.081 109.081 115.424 -6.343 19486 255 1 1 . 1 1 47 47 THR HA H 47 3.980 3.980 3.980 0.000 19486 256 1 1 . 1 1 47 47 THR C C 47 179.649 179.649 176.236 3.413 19486 257 1 1 . 1 1 47 47 THR CA C 47 65.057 65.057 66.164 -1.107 19486 258 1 1 . 1 1 47 47 THR CB C 47 69.160 69.160 68.804 0.356 19486 259 1 1 . 1 1 47 47 THR H H 47 7.456 7.456 7.920 -0.464 19486 260 1 1 . 1 1 48 48 LEU N N 48 124.194 124.194 121.965 2.229 19486 261 1 1 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.366 -0.097 19486 262 1 1 . 1 1 48 48 LEU C C 48 178.335 178.335 177.872 0.463 19486 263 1 1 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.348 0.033 19486 264 1 1 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.197 -0.330 19486 265 1 1 . 1 1 48 48 LEU H H 48 7.582 7.582 7.398 0.184 19486 266 1 1 . 1 1 49 49 THR N N 49 117.072 117.072 114.356 2.716 19486 267 1 1 . 1 1 49 49 THR HA H 49 3.645 3.645 3.852 -0.207 19486 268 1 1 . 1 1 49 49 THR C C 49 175.471 175.471 176.564 -1.093 19486 269 1 1 . 1 1 49 49 THR CA C 49 67.720 67.720 67.290 0.431 19486 270 1 1 . 1 1 49 49 THR CB C 49 68.791 68.791 68.197 0.594 19486 271 1 1 . 1 1 49 49 THR H H 49 8.558 8.558 7.914 0.644 19486 272 1 1 . 1 1 50 50 GLU N N 50 120.004 120.004 120.973 -0.969 19486 273 1 1 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.959 -0.030 19486 274 1 1 . 1 1 50 50 GLU C C 50 179.081 179.081 178.876 0.205 19486 275 1 1 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.100 0.030 19486 276 1 1 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.070 0.614 19486 277 1 1 . 1 1 50 50 GLU H H 50 7.966 7.966 7.803 0.163 19486 278 1 1 . 1 1 51 51 HIS N N 51 117.288 117.288 119.828 -2.540 19486 279 1 1 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.296 -0.047 19486 280 1 1 . 1 1 51 51 HIS C C 51 178.240 178.240 178.194 0.046 19486 281 1 1 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.953 -0.467 19486 282 1 1 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.733 -1.669 19486 283 1 1 . 1 1 51 51 HIS H H 51 7.377 7.377 7.674 -0.297 19486 284 1 1 . 1 1 52 52 LYS N N 52 120.729 120.729 119.383 1.346 19486 285 1 1 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.129 -0.451 19486 286 1 1 . 1 1 52 52 LYS C C 52 178.361 178.361 178.766 -0.405 19486 287 1 1 . 1 1 52 52 LYS CA C 52 60.653 60.653 58.958 1.695 19486 288 1 1 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.544 -0.084 19486 289 1 1 . 1 1 52 52 LYS H H 52 8.572 8.572 7.944 0.628 19486 290 1 1 . 1 1 53 53 VAL N N 53 112.220 112.220 114.705 -2.485 19486 291 1 1 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.045 0.054 19486 292 1 1 . 1 1 53 53 VAL C C 53 175.078 175.078 177.417 -2.339 19486 293 1 1 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.867 -1.427 19486 294 1 1 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.320 0.067 19486 295 1 1 . 1 1 53 53 VAL H H 53 6.940 6.940 7.772 -0.832 19486 296 1 1 . 1 1 54 54 THR N N 54 110.466 110.466 113.156 -2.690 19486 297 1 1 . 1 1 54 54 THR HA H 54 4.135 4.135 4.302 -0.167 19486 298 1 1 . 1 1 54 54 THR C C 54 171.847 171.847 174.444 -2.597 19486 299 1 1 . 1 1 54 54 THR CA C 54 63.056 63.056 61.282 1.774 19486 300 1 1 . 1 1 54 54 THR CB C 54 69.595 69.595 68.133 1.462 19486 301 1 1 . 1 1 54 54 THR H H 54 7.581 7.581 7.522 0.059 19486 302 1 2 . 1 1 2 2 GLY N N 2 110.487 110.487 109.504 0.983 19486 303 1 2 . 1 1 2 2 GLY C C 2 169.148 169.148 173.022 -3.874 19486 304 1 2 . 1 1 2 2 GLY CA C 2 45.079 45.079 45.149 -0.070 19486 305 1 2 . 1 1 2 2 GLY H H 2 8.216 8.216 8.713 -0.497 19486 306 1 2 . 1 1 3 3 SER N N 3 114.424 114.424 115.572 -1.148 19486 307 1 2 . 1 1 3 3 SER HA H 3 4.357 4.357 4.487 -0.130 19486 308 1 2 . 1 1 3 3 SER C C 3 169.812 169.812 173.034 -3.222 19486 309 1 2 . 1 1 3 3 SER CA C 3 58.382 58.382 58.043 0.339 19486 310 1 2 . 1 1 3 3 SER CB C 3 64.088 64.088 64.569 -0.481 19486 311 1 2 . 1 1 3 3 SER H H 3 7.996 7.996 8.136 -0.140 19486 312 1 2 . 1 1 4 4 HIS N N 4 122.476 122.476 124.553 -2.077 19486 313 1 2 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.314 0.294 19486 314 1 2 . 1 1 4 4 HIS C C 4 170.682 170.682 174.178 -3.496 19486 315 1 2 . 1 1 4 4 HIS CA C 4 55.362 55.362 56.565 -1.203 19486 316 1 2 . 1 1 4 4 HIS CB C 4 30.816 30.816 29.644 1.172 19486 317 1 2 . 1 1 4 4 HIS H H 4 8.315 8.315 8.382 -0.067 19486 318 1 2 . 1 1 5 5 LYS N N 5 125.975 125.975 123.581 2.394 19486 319 1 2 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.732 0.023 19486 320 1 2 . 1 1 5 5 LYS C C 5 172.684 172.684 176.033 -3.349 19486 321 1 2 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.767 0.896 19486 322 1 2 . 1 1 5 5 LYS CB C 5 35.248 35.248 34.916 0.332 19486 323 1 2 . 1 1 5 5 LYS H H 5 8.655 8.655 7.908 0.747 19486 324 1 2 . 1 1 6 6 CYS N N 6 127.588 127.588 123.644 3.944 19486 325 1 2 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.453 0.003 19486 326 1 2 . 1 1 6 6 CYS C C 6 175.723 175.723 175.907 -0.184 19486 327 1 2 . 1 1 6 6 CYS CA C 6 60.218 60.218 60.863 -0.645 19486 328 1 2 . 1 1 6 6 CYS CB C 6 29.713 29.713 27.486 2.227 19486 329 1 2 . 1 1 6 6 CYS H H 6 9.046 9.046 9.256 -0.210 19486 330 1 2 . 1 1 7 7 ASN N N 7 128.450 128.450 116.894 11.556 19486 331 1 2 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.342 0.266 19486 332 1 2 . 1 1 7 7 ASN C C 7 172.781 172.781 175.449 -2.668 19486 333 1 2 . 1 1 7 7 ASN CA C 7 55.018 55.018 55.643 -0.625 19486 334 1 2 . 1 1 7 7 ASN CB C 7 38.141 38.141 36.262 1.879 19486 335 1 2 . 1 1 7 7 ASN H H 7 9.075 9.075 8.620 0.455 19486 336 1 2 . 1 1 8 8 VAL N N 8 123.473 123.473 119.825 3.648 19486 337 1 2 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.704 0.101 19486 338 1 2 . 1 1 8 8 VAL C C 8 176.694 176.694 177.569 -0.875 19486 339 1 2 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.898 0.128 19486 340 1 2 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.539 1.423 19486 341 1 2 . 1 1 8 8 VAL H H 8 9.223 9.223 8.016 1.207 19486 342 1 2 . 1 1 9 9 CYS N N 9 118.379 118.379 116.218 2.161 19486 343 1 2 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.413 0.746 19486 344 1 2 . 1 1 9 9 CYS C C 9 173.754 173.754 175.849 -2.095 19486 345 1 2 . 1 1 9 9 CYS CA C 9 58.452 58.452 60.191 -1.738 19486 346 1 2 . 1 1 9 9 CYS CB C 9 32.344 32.344 27.977 4.367 19486 347 1 2 . 1 1 9 9 CYS H H 9 8.457 8.457 7.869 0.588 19486 348 1 2 . 1 1 10 10 SER N N 10 114.054 114.054 111.291 2.763 19486 349 1 2 . 1 1 10 10 SER HA H 10 4.260 4.260 4.113 0.147 19486 350 1 2 . 1 1 10 10 SER C C 10 169.209 169.209 174.077 -4.868 19486 351 1 2 . 1 1 10 10 SER CA C 10 61.286 61.286 59.684 1.602 19486 352 1 2 . 1 1 10 10 SER CB C 10 62.173 62.173 62.765 -0.592 19486 353 1 2 . 1 1 10 10 SER H H 10 7.910 7.910 8.701 -0.791 19486 354 1 2 . 1 1 11 11 ARG N N 11 122.514 122.514 117.413 5.101 19486 355 1 2 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.454 -0.376 19486 356 1 2 . 1 1 11 11 ARG C C 11 172.193 172.193 175.729 -3.536 19486 357 1 2 . 1 1 11 11 ARG CA C 11 57.889 57.889 55.888 2.001 19486 358 1 2 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.120 0.449 19486 359 1 2 . 1 1 11 11 ARG H H 11 8.047 8.047 8.074 -0.027 19486 360 1 2 . 1 1 12 12 THR N N 12 111.399 111.399 113.962 -2.563 19486 361 1 2 . 1 1 12 12 THR HA H 12 4.896 4.896 4.311 0.585 19486 362 1 2 . 1 1 12 12 THR C C 12 168.910 168.910 172.484 -3.574 19486 363 1 2 . 1 1 12 12 THR CA C 12 60.396 60.396 61.084 -0.688 19486 364 1 2 . 1 1 12 12 THR CB C 12 71.239 71.239 70.010 1.229 19486 365 1 2 . 1 1 12 12 THR H H 12 7.716 7.716 7.629 0.087 19486 366 1 2 . 1 1 13 13 PHE N N 13 118.814 118.814 119.244 -0.430 19486 367 1 2 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.886 -0.446 19486 368 1 2 . 1 1 13 13 PHE C C 13 173.256 173.256 173.796 -0.540 19486 369 1 2 . 1 1 13 13 PHE CA C 13 57.579 57.579 57.703 -0.124 19486 370 1 2 . 1 1 13 13 PHE CB C 13 43.109 43.109 39.744 3.365 19486 371 1 2 . 1 1 13 13 PHE H H 13 8.527 8.527 7.913 0.614 19486 372 1 2 . 1 1 14 14 PHE N N 14 119.476 119.476 122.022 -2.546 19486 373 1 2 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.662 0.138 19486 374 1 2 . 1 1 14 14 PHE C C 14 173.255 173.255 175.180 -1.925 19486 375 1 2 . 1 1 14 14 PHE CA C 14 59.206 59.206 58.611 0.595 19486 376 1 2 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.341 0.095 19486 377 1 2 . 1 1 14 14 PHE H H 14 8.975 8.975 8.645 0.330 19486 378 1 2 . 1 1 15 15 SER N N 15 111.316 111.316 112.971 -1.655 19486 379 1 2 . 1 1 15 15 SER HA H 15 4.573 4.573 4.456 0.117 19486 380 1 2 . 1 1 15 15 SER C C 15 169.172 169.172 174.417 -5.245 19486 381 1 2 . 1 1 15 15 SER CA C 15 55.948 55.948 57.553 -1.605 19486 382 1 2 . 1 1 15 15 SER CB C 15 67.029 67.029 65.115 1.914 19486 383 1 2 . 1 1 15 15 SER H H 15 7.813 7.813 7.871 -0.058 19486 384 1 2 . 1 1 16 16 GLU N N 16 123.055 123.055 121.630 1.425 19486 385 1 2 . 1 1 16 16 GLU HA H 16 3.420 3.420 3.864 -0.444 19486 386 1 2 . 1 1 16 16 GLU C C 16 179.932 179.932 178.043 1.889 19486 387 1 2 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.503 -0.209 19486 388 1 2 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.443 -0.405 19486 389 1 2 . 1 1 16 16 GLU H H 16 8.755 8.755 8.868 -0.113 19486 390 1 2 . 1 1 17 17 ASN N N 17 117.537 117.537 116.386 1.151 19486 391 1 2 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.555 -0.270 19486 392 1 2 . 1 1 17 17 ASN C C 17 177.403 177.403 177.682 -0.279 19486 393 1 2 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.476 0.968 19486 394 1 2 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.878 0.076 19486 395 1 2 . 1 1 17 17 ASN H H 17 8.548 8.548 8.447 0.101 19486 396 1 2 . 1 1 18 18 GLY N N 18 108.587 108.587 108.968 -0.381 19486 397 1 2 . 1 1 18 18 GLY C C 18 175.491 175.491 176.455 -0.964 19486 398 1 2 . 1 1 18 18 GLY CA C 18 46.689 46.689 47.191 -0.502 19486 399 1 2 . 1 1 18 18 GLY H H 18 8.038 8.038 8.371 -0.333 19486 400 1 2 . 1 1 19 19 LEU N N 19 123.120 123.120 122.808 0.312 19486 401 1 2 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.303 -1.086 19486 402 1 2 . 1 1 19 19 LEU C C 19 176.975 176.975 178.805 -1.830 19486 403 1 2 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.580 0.194 19486 404 1 2 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.745 -0.850 19486 405 1 2 . 1 1 19 19 LEU H H 19 7.240 7.240 8.049 -0.809 19486 406 1 2 . 1 1 20 20 ARG N N 20 119.506 119.506 118.349 1.157 19486 407 1 2 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.913 -0.129 19486 408 1 2 . 1 1 20 20 ARG C C 20 181.705 181.705 179.096 2.609 19486 409 1 2 . 1 1 20 20 ARG CA C 20 60.383 60.383 59.255 1.128 19486 410 1 2 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.582 0.345 19486 411 1 2 . 1 1 20 20 ARG H H 20 8.426 8.426 8.023 0.403 19486 412 1 2 . 1 1 21 21 GLU N N 21 117.954 117.954 118.730 -0.776 19486 413 1 2 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.090 -0.150 19486 414 1 2 . 1 1 21 21 GLU C C 21 180.973 180.973 179.420 1.553 19486 415 1 2 . 1 1 21 21 GLU CA C 21 59.155 59.155 59.155 -0.000 19486 416 1 2 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.731 -0.109 19486 417 1 2 . 1 1 21 21 GLU H H 21 7.961 7.961 8.030 -0.069 19486 418 1 2 . 1 1 22 22 HIS N N 22 119.084 119.084 119.551 -0.467 19486 419 1 2 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.410 -0.174 19486 420 1 2 . 1 1 22 22 HIS C C 22 179.182 179.182 177.445 1.737 19486 421 1 2 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.688 0.172 19486 422 1 2 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.990 -1.731 19486 423 1 2 . 1 1 22 22 HIS H H 22 7.434 7.434 8.022 -0.588 19486 424 1 2 . 1 1 23 23 LEU N N 23 122.153 122.153 120.058 2.095 19486 425 1 2 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.168 -0.403 19486 426 1 2 . 1 1 23 23 LEU C C 23 181.265 181.265 178.569 2.696 19486 427 1 2 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.830 0.757 19486 428 1 2 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.810 0.030 19486 429 1 2 . 1 1 23 23 LEU H H 23 8.835 8.835 8.212 0.623 19486 430 1 2 . 1 1 24 24 GLN N N 24 115.740 115.740 115.691 0.049 19486 431 1 2 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.195 -0.187 19486 432 1 2 . 1 1 24 24 GLN C C 24 178.454 178.454 177.784 0.670 19486 433 1 2 . 1 1 24 24 GLN CA C 24 57.970 57.970 57.593 0.377 19486 434 1 2 . 1 1 24 24 GLN CB C 24 28.431 28.431 27.972 0.459 19486 435 1 2 . 1 1 24 24 GLN H H 24 7.142 7.142 7.785 -0.643 19486 436 1 2 . 1 1 25 25 THR N N 25 109.376 109.376 111.822 -2.446 19486 437 1 2 . 1 1 25 25 THR HA H 25 4.129 4.129 3.959 0.170 19486 438 1 2 . 1 1 25 25 THR C C 25 173.471 173.471 175.830 -2.359 19486 439 1 2 . 1 1 25 25 THR CA C 25 63.754 63.754 65.427 -1.673 19486 440 1 2 . 1 1 25 25 THR CB C 25 69.467 69.467 68.329 1.138 19486 441 1 2 . 1 1 25 25 THR H H 25 7.801 7.801 7.464 0.337 19486 442 1 2 . 1 1 26 26 HIS N N 26 118.158 118.158 118.825 -0.667 19486 443 1 2 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.682 0.209 19486 444 1 2 . 1 1 26 26 HIS C C 26 171.847 171.847 176.531 -4.684 19486 445 1 2 . 1 1 26 26 HIS CA C 26 55.083 55.083 56.931 -1.848 19486 446 1 2 . 1 1 26 26 HIS CB C 26 28.686 28.686 30.198 -1.512 19486 447 1 2 . 1 1 26 26 HIS H H 26 7.095 7.095 7.461 -0.366 19486 448 1 2 . 1 1 27 27 ARG N N 27 120.083 120.083 119.280 0.803 19486 449 1 2 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.267 0.133 19486 450 1 2 . 1 1 27 27 ARG C C 27 175.194 175.194 177.270 -2.076 19486 451 1 2 . 1 1 27 27 ARG CA C 27 56.387 56.387 56.385 0.002 19486 452 1 2 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.780 0.480 19486 453 1 2 . 1 1 27 27 ARG H H 27 7.630 7.630 7.721 -0.091 19486 454 1 2 . 1 1 28 28 GLY N N 28 109.773 109.773 107.224 2.549 19486 455 1 2 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.127 0.505 19486 456 1 2 . 1 1 28 28 GLY H H 28 8.217 8.217 7.528 0.689 19486 457 1 2 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.471 -0.084 19486 458 1 2 . 1 1 29 29 PRO C C 29 176.069 176.069 176.494 -0.425 19486 459 1 2 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.897 0.133 19486 460 1 2 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.068 0.159 19486 461 1 2 . 1 1 30 30 ALA N N 30 124.277 124.277 127.974 -3.697 19486 462 1 2 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.457 -0.266 19486 463 1 2 . 1 1 30 30 ALA C C 30 177.466 177.466 177.425 0.041 19486 464 1 2 . 1 1 30 30 ALA CA C 30 52.423 52.423 51.779 0.644 19486 465 1 2 . 1 1 30 30 ALA CB C 30 19.185 19.185 18.328 0.857 19486 466 1 2 . 1 1 30 30 ALA H H 30 8.312 8.312 8.558 -0.246 19486 467 1 2 . 1 1 31 31 LYS N N 31 120.503 120.503 123.420 -2.917 19486 468 1 2 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.531 -0.378 19486 469 1 2 . 1 1 31 31 LYS C C 31 173.444 173.444 174.721 -1.277 19486 470 1 2 . 1 1 31 31 LYS CA C 31 55.970 55.970 55.894 0.076 19486 471 1 2 . 1 1 31 31 LYS CB C 31 33.189 33.189 32.621 0.568 19486 472 1 2 . 1 1 31 31 LYS H H 31 8.160 8.160 8.481 -0.321 19486 473 1 2 . 1 1 32 32 HIS N N 32 118.745 118.745 112.771 5.974 19486 474 1 2 . 1 1 32 32 HIS HA H 32 4.642 4.642 5.045 -0.403 19486 475 1 2 . 1 1 32 32 HIS C C 32 171.199 171.199 173.053 -1.854 19486 476 1 2 . 1 1 32 32 HIS CA C 32 55.641 55.641 54.976 0.665 19486 477 1 2 . 1 1 32 32 HIS CB C 32 32.293 32.293 31.735 0.557 19486 478 1 2 . 1 1 32 32 HIS H H 32 7.888 7.888 7.638 0.250 19486 479 1 2 . 1 1 33 33 TYR N N 33 120.158 120.158 119.447 0.711 19486 480 1 2 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.571 -0.027 19486 481 1 2 . 1 1 33 33 TYR C C 33 172.174 172.174 173.363 -1.189 19486 482 1 2 . 1 1 33 33 TYR CA C 33 57.776 57.776 56.960 0.816 19486 483 1 2 . 1 1 33 33 TYR CB C 33 39.394 39.394 43.172 -3.777 19486 484 1 2 . 1 1 33 33 TYR H H 33 8.672 8.672 8.949 -0.277 19486 485 1 2 . 1 1 34 34 MET N N 34 123.629 123.629 124.929 -1.300 19486 486 1 2 . 1 1 34 34 MET HA H 34 5.113 5.113 4.966 0.147 19486 487 1 2 . 1 1 34 34 MET C C 34 172.661 172.661 174.698 -2.037 19486 488 1 2 . 1 1 34 34 MET CA C 34 54.285 54.285 54.050 0.235 19486 489 1 2 . 1 1 34 34 MET CB C 34 35.606 35.606 34.773 0.833 19486 490 1 2 . 1 1 34 34 MET H H 34 8.770 8.770 7.930 0.840 19486 491 1 2 . 1 1 35 35 CYS N N 35 128.648 128.648 127.426 1.222 19486 492 1 2 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.846 -0.032 19486 493 1 2 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.196 0.034 19486 494 1 2 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.826 2.587 19486 495 1 2 . 1 1 35 35 CYS H H 35 9.412 9.412 8.644 0.768 19486 496 1 2 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.331 0.196 19486 497 1 2 . 1 1 36 36 PRO C C 36 175.359 175.359 177.149 -1.790 19486 498 1 2 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.163 -1.033 19486 499 1 2 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.985 0.342 19486 500 1 2 . 1 1 37 37 ILE N N 37 121.680 121.680 117.817 3.863 19486 501 1 2 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.981 -0.075 19486 502 1 2 . 1 1 37 37 ILE C C 37 176.316 176.316 177.501 -1.185 19486 503 1 2 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.945 0.215 19486 504 1 2 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.326 0.007 19486 505 1 2 . 1 1 37 37 ILE H H 37 8.802 8.802 8.303 0.499 19486 506 1 2 . 1 1 38 38 CYS N N 38 115.962 115.962 114.299 1.663 19486 507 1 2 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.959 0.178 19486 508 1 2 . 1 1 38 38 CYS C C 38 175.994 175.994 175.993 0.001 19486 509 1 2 . 1 1 38 38 CYS CA C 38 58.260 58.260 57.240 1.020 19486 510 1 2 . 1 1 38 38 CYS CB C 38 32.806 32.806 29.347 3.459 19486 511 1 2 . 1 1 38 38 CYS H H 38 8.070 8.070 8.149 -0.079 19486 512 1 2 . 1 1 39 39 GLY N N 39 113.286 113.286 110.812 2.474 19486 513 1 2 . 1 1 39 39 GLY C C 39 169.495 169.495 175.199 -5.704 19486 514 1 2 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.961 0.485 19486 515 1 2 . 1 1 39 39 GLY H H 39 8.113 8.113 8.033 0.080 19486 516 1 2 . 1 1 40 40 GLU N N 40 122.500 122.500 119.672 2.828 19486 517 1 2 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.284 -0.256 19486 518 1 2 . 1 1 40 40 GLU C C 40 171.486 171.486 175.978 -4.492 19486 519 1 2 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.767 0.952 19486 520 1 2 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.448 -0.014 19486 521 1 2 . 1 1 40 40 GLU H H 40 8.119 8.119 7.848 0.271 19486 522 1 2 . 1 1 41 41 ARG N N 41 120.904 120.904 121.535 -0.631 19486 523 1 2 . 1 1 41 41 ARG HA H 41 4.938 4.938 5.395 -0.457 19486 524 1 2 . 1 1 41 41 ARG C C 41 173.428 173.428 175.298 -1.870 19486 525 1 2 . 1 1 41 41 ARG CA C 41 55.153 55.153 54.249 0.904 19486 526 1 2 . 1 1 41 41 ARG CB C 41 32.810 32.810 32.110 0.700 19486 527 1 2 . 1 1 41 41 ARG H H 41 8.051 8.051 8.392 -0.341 19486 528 1 2 . 1 1 42 42 PHE N N 42 119.481 119.481 123.081 -3.600 19486 529 1 2 . 1 1 42 42 PHE HA H 42 4.688 4.688 5.034 -0.346 19486 530 1 2 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.102 1.635 19486 531 1 2 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.846 0.130 19486 532 1 2 . 1 1 42 42 PHE H H 42 8.856 8.856 8.854 0.002 19486 533 1 2 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.489 0.300 19486 534 1 2 . 1 1 43 43 PRO C C 43 174.319 174.319 176.008 -1.689 19486 535 1 2 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.788 -0.122 19486 536 1 2 . 1 1 43 43 PRO CB C 43 32.803 32.803 31.747 1.056 19486 537 1 2 . 1 1 44 44 SER N N 44 110.500 110.500 112.140 -1.640 19486 538 1 2 . 1 1 44 44 SER HA H 44 4.601 4.601 4.670 -0.069 19486 539 1 2 . 1 1 44 44 SER C C 44 166.956 166.956 172.324 -5.368 19486 540 1 2 . 1 1 44 44 SER CA C 44 55.700 55.700 57.223 -1.523 19486 541 1 2 . 1 1 44 44 SER CB C 44 67.018 67.018 65.119 1.899 19486 542 1 2 . 1 1 44 44 SER H H 44 7.246 7.246 7.947 -0.701 19486 543 1 2 . 1 1 45 45 LEU N N 45 122.780 122.780 123.228 -0.448 19486 544 1 2 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.366 -0.861 19486 545 1 2 . 1 1 45 45 LEU C C 45 181.968 181.968 175.034 6.934 19486 546 1 2 . 1 1 45 45 LEU CA C 45 57.272 57.272 55.335 1.937 19486 547 1 2 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.479 0.698 19486 548 1 2 . 1 1 45 45 LEU H H 45 8.272 8.272 8.804 -0.532 19486 549 1 2 . 1 1 46 46 LEU N N 46 121.552 121.552 121.862 -0.310 19486 550 1 2 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.557 -0.523 19486 551 1 2 . 1 1 46 46 LEU C C 46 180.359 180.359 177.362 2.997 19486 552 1 2 . 1 1 46 46 LEU CA C 46 58.636 58.636 57.063 1.573 19486 553 1 2 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.675 -1.560 19486 554 1 2 . 1 1 46 46 LEU H H 46 8.289 8.289 7.804 0.485 19486 555 1 2 . 1 1 47 47 THR N N 47 109.081 109.081 116.400 -7.319 19486 556 1 2 . 1 1 47 47 THR HA H 47 3.980 3.980 4.326 -0.346 19486 557 1 2 . 1 1 47 47 THR C C 47 179.649 179.649 176.365 3.284 19486 558 1 2 . 1 1 47 47 THR CA C 47 65.057 65.057 65.742 -0.685 19486 559 1 2 . 1 1 47 47 THR CB C 47 69.160 69.160 69.024 0.136 19486 560 1 2 . 1 1 47 47 THR H H 47 7.456 7.456 7.910 -0.454 19486 561 1 2 . 1 1 48 48 LEU N N 48 124.194 124.194 122.239 1.955 19486 562 1 2 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.843 -0.574 19486 563 1 2 . 1 1 48 48 LEU C C 48 178.335 178.335 178.385 -0.050 19486 564 1 2 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.382 -0.000 19486 565 1 2 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.489 -0.622 19486 566 1 2 . 1 1 48 48 LEU H H 48 7.582 7.582 7.698 -0.116 19486 567 1 2 . 1 1 49 49 THR N N 49 117.072 117.072 114.489 2.583 19486 568 1 2 . 1 1 49 49 THR HA H 49 3.645 3.645 3.912 -0.267 19486 569 1 2 . 1 1 49 49 THR C C 49 175.471 175.471 176.940 -1.469 19486 570 1 2 . 1 1 49 49 THR CA C 49 67.720 67.720 66.951 0.769 19486 571 1 2 . 1 1 49 49 THR CB C 49 68.791 68.791 68.261 0.530 19486 572 1 2 . 1 1 49 49 THR H H 49 8.558 8.558 7.991 0.567 19486 573 1 2 . 1 1 50 50 GLU N N 50 120.004 120.004 121.455 -1.451 19486 574 1 2 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.944 -0.015 19486 575 1 2 . 1 1 50 50 GLU C C 50 179.081 179.081 178.718 0.363 19486 576 1 2 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.377 -0.247 19486 577 1 2 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.462 0.222 19486 578 1 2 . 1 1 50 50 GLU H H 50 7.966 7.966 7.958 0.008 19486 579 1 2 . 1 1 51 51 HIS N N 51 117.288 117.288 119.354 -2.066 19486 580 1 2 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.073 0.176 19486 581 1 2 . 1 1 51 51 HIS C C 51 178.240 178.240 176.710 1.530 19486 582 1 2 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.882 -0.396 19486 583 1 2 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.520 -1.456 19486 584 1 2 . 1 1 51 51 HIS H H 51 7.377 7.377 7.762 -0.385 19486 585 1 2 . 1 1 52 52 LYS N N 52 120.729 120.729 118.334 2.395 19486 586 1 2 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.114 -0.436 19486 587 1 2 . 1 1 52 52 LYS C C 52 178.361 178.361 179.530 -1.169 19486 588 1 2 . 1 1 52 52 LYS CA C 52 60.653 60.653 58.843 1.810 19486 589 1 2 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.156 0.304 19486 590 1 2 . 1 1 52 52 LYS H H 52 8.572 8.572 7.911 0.661 19486 591 1 2 . 1 1 53 53 VAL N N 53 112.220 112.220 116.543 -4.323 19486 592 1 2 . 1 1 53 53 VAL HA H 53 4.099 4.099 3.909 0.190 19486 593 1 2 . 1 1 53 53 VAL C C 53 175.078 175.078 177.287 -2.209 19486 594 1 2 . 1 1 53 53 VAL CA C 53 63.440 63.440 65.355 -1.915 19486 595 1 2 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.649 -0.262 19486 596 1 2 . 1 1 53 53 VAL H H 53 6.940 6.940 7.668 -0.728 19486 597 1 2 . 1 1 54 54 THR N N 54 110.466 110.466 110.726 -0.260 19486 598 1 2 . 1 1 54 54 THR HA H 54 4.135 4.135 4.327 -0.192 19486 599 1 2 . 1 1 54 54 THR C C 54 171.847 171.847 175.099 -3.252 19486 600 1 2 . 1 1 54 54 THR CA C 54 63.056 63.056 61.339 1.717 19486 601 1 2 . 1 1 54 54 THR CB C 54 69.595 69.595 68.636 0.959 19486 602 1 2 . 1 1 54 54 THR H H 54 7.581 7.581 7.616 -0.035 19486 603 1 3 . 1 1 2 2 GLY N N 2 110.487 110.487 113.376 -2.889 19486 604 1 3 . 1 1 2 2 GLY C C 2 169.148 169.148 173.309 -4.161 19486 605 1 3 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.903 0.176 19486 606 1 3 . 1 1 2 2 GLY H H 2 8.216 8.216 8.769 -0.553 19486 607 1 3 . 1 1 3 3 SER N N 3 114.424 114.424 118.752 -4.328 19486 608 1 3 . 1 1 3 3 SER HA H 3 4.357 4.357 4.985 -0.628 19486 609 1 3 . 1 1 3 3 SER C C 3 169.812 169.812 173.641 -3.829 19486 610 1 3 . 1 1 3 3 SER CA C 3 58.382 58.382 57.940 0.442 19486 611 1 3 . 1 1 3 3 SER CB C 3 64.088 64.088 65.593 -1.505 19486 612 1 3 . 1 1 3 3 SER H H 3 7.996 7.996 7.931 0.065 19486 613 1 3 . 1 1 4 4 HIS N N 4 122.476 122.476 125.041 -2.565 19486 614 1 3 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.754 -0.146 19486 615 1 3 . 1 1 4 4 HIS C C 4 170.682 170.682 173.570 -2.888 19486 616 1 3 . 1 1 4 4 HIS CA C 4 55.362 55.362 56.397 -1.035 19486 617 1 3 . 1 1 4 4 HIS CB C 4 30.816 30.816 32.625 -1.809 19486 618 1 3 . 1 1 4 4 HIS H H 4 8.315 8.315 8.702 -0.387 19486 619 1 3 . 1 1 5 5 LYS N N 5 125.975 125.975 124.005 1.970 19486 620 1 3 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.756 -0.001 19486 621 1 3 . 1 1 5 5 LYS C C 5 172.684 172.684 175.740 -3.056 19486 622 1 3 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.997 0.666 19486 623 1 3 . 1 1 5 5 LYS CB C 5 35.248 35.248 34.163 1.085 19486 624 1 3 . 1 1 5 5 LYS H H 5 8.655 8.655 8.007 0.648 19486 625 1 3 . 1 1 6 6 CYS N N 6 127.588 127.588 126.741 0.847 19486 626 1 3 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.619 -0.163 19486 627 1 3 . 1 1 6 6 CYS C C 6 175.723 175.723 175.237 0.486 19486 628 1 3 . 1 1 6 6 CYS CA C 6 60.218 60.218 59.847 0.371 19486 629 1 3 . 1 1 6 6 CYS CB C 6 29.713 29.713 27.445 2.268 19486 630 1 3 . 1 1 6 6 CYS H H 6 9.046 9.046 8.616 0.430 19486 631 1 3 . 1 1 7 7 ASN N N 7 128.450 128.450 125.897 2.553 19486 632 1 3 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.524 0.084 19486 633 1 3 . 1 1 7 7 ASN C C 7 172.781 172.781 176.344 -3.563 19486 634 1 3 . 1 1 7 7 ASN CA C 7 55.018 55.018 55.779 -0.760 19486 635 1 3 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.593 -0.452 19486 636 1 3 . 1 1 7 7 ASN H H 7 9.075 9.075 9.004 0.071 19486 637 1 3 . 1 1 8 8 VAL N N 8 123.473 123.473 118.784 4.689 19486 638 1 3 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.645 0.160 19486 639 1 3 . 1 1 8 8 VAL C C 8 176.694 176.694 177.169 -0.475 19486 640 1 3 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.743 0.283 19486 641 1 3 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.458 1.504 19486 642 1 3 . 1 1 8 8 VAL H H 8 9.223 9.223 7.875 1.348 19486 643 1 3 . 1 1 9 9 CYS N N 9 118.379 118.379 115.691 2.688 19486 644 1 3 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.579 0.580 19486 645 1 3 . 1 1 9 9 CYS C C 9 173.754 173.754 175.085 -1.331 19486 646 1 3 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.086 -0.634 19486 647 1 3 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.314 4.030 19486 648 1 3 . 1 1 9 9 CYS H H 9 8.457 8.457 8.115 0.342 19486 649 1 3 . 1 1 10 10 SER N N 10 114.054 114.054 111.039 3.015 19486 650 1 3 . 1 1 10 10 SER HA H 10 4.260 4.260 4.074 0.186 19486 651 1 3 . 1 1 10 10 SER C C 10 169.209 169.209 173.641 -4.432 19486 652 1 3 . 1 1 10 10 SER CA C 10 61.286 61.286 59.952 1.334 19486 653 1 3 . 1 1 10 10 SER CB C 10 62.173 62.173 61.560 0.613 19486 654 1 3 . 1 1 10 10 SER H H 10 7.910 7.910 8.589 -0.679 19486 655 1 3 . 1 1 11 11 ARG N N 11 122.514 122.514 118.585 3.929 19486 656 1 3 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.724 -0.646 19486 657 1 3 . 1 1 11 11 ARG C C 11 172.193 172.193 174.422 -2.229 19486 658 1 3 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.927 2.962 19486 659 1 3 . 1 1 11 11 ARG CB C 11 31.569 31.569 32.376 -0.807 19486 660 1 3 . 1 1 11 11 ARG H H 11 8.047 8.047 7.599 0.448 19486 661 1 3 . 1 1 12 12 THR N N 12 111.399 111.399 112.842 -1.443 19486 662 1 3 . 1 1 12 12 THR HA H 12 4.896 4.896 5.010 -0.114 19486 663 1 3 . 1 1 12 12 THR C C 12 168.910 168.910 173.205 -4.295 19486 664 1 3 . 1 1 12 12 THR CA C 12 60.396 60.396 60.379 0.017 19486 665 1 3 . 1 1 12 12 THR CB C 12 71.239 71.239 70.789 0.450 19486 666 1 3 . 1 1 12 12 THR H H 12 7.716 7.716 8.073 -0.357 19486 667 1 3 . 1 1 13 13 PHE N N 13 118.814 118.814 125.242 -6.428 19486 668 1 3 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.596 -0.156 19486 669 1 3 . 1 1 13 13 PHE C C 13 173.256 173.256 175.199 -1.943 19486 670 1 3 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.140 1.439 19486 671 1 3 . 1 1 13 13 PHE CB C 13 43.109 43.109 42.173 0.936 19486 672 1 3 . 1 1 13 13 PHE H H 13 8.527 8.527 8.190 0.337 19486 673 1 3 . 1 1 14 14 PHE N N 14 119.476 119.476 120.666 -1.190 19486 674 1 3 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.319 0.481 19486 675 1 3 . 1 1 14 14 PHE C C 14 173.255 173.255 175.765 -2.510 19486 676 1 3 . 1 1 14 14 PHE CA C 14 59.206 59.206 59.614 -0.407 19486 677 1 3 . 1 1 14 14 PHE CB C 14 39.436 39.436 38.802 0.634 19486 678 1 3 . 1 1 14 14 PHE H H 14 8.975 8.975 8.287 0.688 19486 679 1 3 . 1 1 15 15 SER N N 15 111.316 111.316 112.051 -0.735 19486 680 1 3 . 1 1 15 15 SER HA H 15 4.573 4.573 5.281 -0.708 19486 681 1 3 . 1 1 15 15 SER C C 15 169.172 169.172 175.404 -6.232 19486 682 1 3 . 1 1 15 15 SER CA C 15 55.948 55.948 55.539 0.409 19486 683 1 3 . 1 1 15 15 SER CB C 15 67.029 67.029 66.119 0.910 19486 684 1 3 . 1 1 15 15 SER H H 15 7.813 7.813 8.225 -0.412 19486 685 1 3 . 1 1 16 16 GLU N N 16 123.055 123.055 124.521 -1.466 19486 686 1 3 . 1 1 16 16 GLU HA H 16 3.420 3.420 3.953 -0.533 19486 687 1 3 . 1 1 16 16 GLU C C 16 179.932 179.932 178.421 1.511 19486 688 1 3 . 1 1 16 16 GLU CA C 16 59.294 59.294 60.268 -0.974 19486 689 1 3 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.608 -0.570 19486 690 1 3 . 1 1 16 16 GLU H H 16 8.755 8.755 8.643 0.112 19486 691 1 3 . 1 1 17 17 ASN N N 17 117.537 117.537 117.565 -0.028 19486 692 1 3 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.500 -0.215 19486 693 1 3 . 1 1 17 17 ASN C C 17 177.403 177.403 177.495 -0.092 19486 694 1 3 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.513 0.931 19486 695 1 3 . 1 1 17 17 ASN CB C 17 37.954 37.954 38.167 -0.213 19486 696 1 3 . 1 1 17 17 ASN H H 17 8.548 8.548 8.627 -0.079 19486 697 1 3 . 1 1 18 18 GLY N N 18 108.587 108.587 108.071 0.516 19486 698 1 3 . 1 1 18 18 GLY C C 18 175.491 175.491 175.540 -0.049 19486 699 1 3 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.067 0.622 19486 700 1 3 . 1 1 18 18 GLY H H 18 8.038 8.038 7.546 0.492 19486 701 1 3 . 1 1 19 19 LEU N N 19 123.120 123.120 123.588 -0.468 19486 702 1 3 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.048 -0.831 19486 703 1 3 . 1 1 19 19 LEU C C 19 176.975 176.975 178.652 -1.677 19486 704 1 3 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.529 0.245 19486 705 1 3 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.614 -0.719 19486 706 1 3 . 1 1 19 19 LEU H H 19 7.240 7.240 7.630 -0.390 19486 707 1 3 . 1 1 20 20 ARG N N 20 119.506 119.506 117.815 1.691 19486 708 1 3 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.847 -0.063 19486 709 1 3 . 1 1 20 20 ARG C C 20 181.705 181.705 178.733 2.972 19486 710 1 3 . 1 1 20 20 ARG CA C 20 60.383 60.383 59.839 0.544 19486 711 1 3 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.778 0.149 19486 712 1 3 . 1 1 20 20 ARG H H 20 8.426 8.426 8.344 0.082 19486 713 1 3 . 1 1 21 21 GLU N N 21 117.954 117.954 118.294 -0.340 19486 714 1 3 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.069 -0.129 19486 715 1 3 . 1 1 21 21 GLU C C 21 180.973 180.973 177.612 3.361 19486 716 1 3 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.586 0.569 19486 717 1 3 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.366 0.257 19486 718 1 3 . 1 1 21 21 GLU H H 21 7.961 7.961 7.611 0.350 19486 719 1 3 . 1 1 22 22 HIS N N 22 119.084 119.084 117.540 1.544 19486 720 1 3 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.349 -0.113 19486 721 1 3 . 1 1 22 22 HIS C C 22 179.182 179.182 177.090 2.092 19486 722 1 3 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.536 0.324 19486 723 1 3 . 1 1 22 22 HIS CB C 22 28.259 28.259 30.166 -1.907 19486 724 1 3 . 1 1 22 22 HIS H H 22 7.434 7.434 7.648 -0.214 19486 725 1 3 . 1 1 23 23 LEU N N 23 122.153 122.153 120.080 2.073 19486 726 1 3 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.135 -0.370 19486 727 1 3 . 1 1 23 23 LEU C C 23 181.265 181.265 179.080 2.185 19486 728 1 3 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.706 0.881 19486 729 1 3 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.797 0.043 19486 730 1 3 . 1 1 23 23 LEU H H 23 8.835 8.835 8.330 0.505 19486 731 1 3 . 1 1 24 24 GLN N N 24 115.740 115.740 116.466 -0.726 19486 732 1 3 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.028 -0.020 19486 733 1 3 . 1 1 24 24 GLN C C 24 178.454 178.454 177.407 1.047 19486 734 1 3 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.358 -0.388 19486 735 1 3 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.407 0.024 19486 736 1 3 . 1 1 24 24 GLN H H 24 7.142 7.142 8.447 -1.305 19486 737 1 3 . 1 1 25 25 THR N N 25 109.376 109.376 108.886 0.490 19486 738 1 3 . 1 1 25 25 THR HA H 25 4.129 4.129 4.150 -0.021 19486 739 1 3 . 1 1 25 25 THR C C 25 173.471 173.471 175.732 -2.261 19486 740 1 3 . 1 1 25 25 THR CA C 25 63.754 63.754 63.919 -0.165 19486 741 1 3 . 1 1 25 25 THR CB C 25 69.467 69.467 69.157 0.310 19486 742 1 3 . 1 1 25 25 THR H H 25 7.801 7.801 7.431 0.370 19486 743 1 3 . 1 1 26 26 HIS N N 26 118.158 118.158 120.925 -2.767 19486 744 1 3 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.533 0.358 19486 745 1 3 . 1 1 26 26 HIS C C 26 171.847 171.847 176.091 -4.244 19486 746 1 3 . 1 1 26 26 HIS CA C 26 55.083 55.083 57.898 -2.815 19486 747 1 3 . 1 1 26 26 HIS CB C 26 28.686 28.686 29.822 -1.136 19486 748 1 3 . 1 1 26 26 HIS H H 26 7.095 7.095 7.544 -0.449 19486 749 1 3 . 1 1 27 27 ARG N N 27 120.083 120.083 117.931 2.152 19486 750 1 3 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.468 -0.068 19486 751 1 3 . 1 1 27 27 ARG C C 27 175.194 175.194 176.571 -1.377 19486 752 1 3 . 1 1 27 27 ARG CA C 27 56.387 56.387 54.981 1.406 19486 753 1 3 . 1 1 27 27 ARG CB C 27 31.260 31.260 29.325 1.935 19486 754 1 3 . 1 1 27 27 ARG H H 27 7.630 7.630 7.421 0.209 19486 755 1 3 . 1 1 28 28 GLY N N 28 109.773 109.773 108.299 1.474 19486 756 1 3 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.334 0.298 19486 757 1 3 . 1 1 28 28 GLY H H 28 8.217 8.217 7.326 0.891 19486 758 1 3 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.370 0.017 19486 759 1 3 . 1 1 29 29 PRO C C 29 176.069 176.069 176.483 -0.414 19486 760 1 3 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.968 0.062 19486 761 1 3 . 1 1 29 29 PRO CB C 29 32.227 32.227 31.852 0.375 19486 762 1 3 . 1 1 30 30 ALA N N 30 124.277 124.277 127.473 -3.196 19486 763 1 3 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.265 -0.074 19486 764 1 3 . 1 1 30 30 ALA C C 30 177.466 177.466 176.433 1.033 19486 765 1 3 . 1 1 30 30 ALA CA C 30 52.423 52.423 51.399 1.024 19486 766 1 3 . 1 1 30 30 ALA CB C 30 19.185 19.185 17.443 1.742 19486 767 1 3 . 1 1 30 30 ALA H H 30 8.312 8.312 8.380 -0.068 19486 768 1 3 . 1 1 31 31 LYS N N 31 120.503 120.503 118.747 1.756 19486 769 1 3 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.223 -0.070 19486 770 1 3 . 1 1 31 31 LYS C C 31 173.444 173.444 174.470 -1.026 19486 771 1 3 . 1 1 31 31 LYS CA C 31 55.970 55.970 55.714 0.256 19486 772 1 3 . 1 1 31 31 LYS CB C 31 33.189 33.189 33.555 -0.366 19486 773 1 3 . 1 1 31 31 LYS H H 31 8.160 8.160 7.426 0.734 19486 774 1 3 . 1 1 32 32 HIS N N 32 118.745 118.745 116.184 2.561 19486 775 1 3 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.679 -0.037 19486 776 1 3 . 1 1 32 32 HIS C C 32 171.199 171.199 173.608 -2.409 19486 777 1 3 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.693 -0.052 19486 778 1 3 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.624 1.669 19486 779 1 3 . 1 1 32 32 HIS H H 32 7.888 7.888 8.086 -0.198 19486 780 1 3 . 1 1 33 33 TYR N N 33 120.158 120.158 117.608 2.550 19486 781 1 3 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.836 -0.292 19486 782 1 3 . 1 1 33 33 TYR C C 33 172.174 172.174 173.767 -1.593 19486 783 1 3 . 1 1 33 33 TYR CA C 33 57.776 57.776 55.940 1.836 19486 784 1 3 . 1 1 33 33 TYR CB C 33 39.394 39.394 38.021 1.373 19486 785 1 3 . 1 1 33 33 TYR H H 33 8.672 8.672 7.527 1.145 19486 786 1 3 . 1 1 34 34 MET N N 34 123.629 123.629 123.094 0.535 19486 787 1 3 . 1 1 34 34 MET HA H 34 5.113 5.113 4.860 0.253 19486 788 1 3 . 1 1 34 34 MET C C 34 172.661 172.661 175.090 -2.429 19486 789 1 3 . 1 1 34 34 MET CA C 34 54.285 54.285 53.615 0.670 19486 790 1 3 . 1 1 34 34 MET CB C 34 35.606 35.606 35.200 0.406 19486 791 1 3 . 1 1 34 34 MET H H 34 8.770 8.770 7.900 0.870 19486 792 1 3 . 1 1 35 35 CYS N N 35 128.648 128.648 128.709 -0.061 19486 793 1 3 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.964 -0.150 19486 794 1 3 . 1 1 35 35 CYS CA C 35 57.229 57.229 56.973 0.256 19486 795 1 3 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.770 2.643 19486 796 1 3 . 1 1 35 35 CYS H H 35 9.412 9.412 9.059 0.353 19486 797 1 3 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.295 0.232 19486 798 1 3 . 1 1 36 36 PRO C C 36 175.359 175.359 177.127 -1.768 19486 799 1 3 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.444 -1.313 19486 800 1 3 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.874 0.453 19486 801 1 3 . 1 1 37 37 ILE N N 37 121.680 121.680 117.576 4.104 19486 802 1 3 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.986 -0.080 19486 803 1 3 . 1 1 37 37 ILE C C 37 176.316 176.316 177.304 -0.988 19486 804 1 3 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.820 0.340 19486 805 1 3 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.418 -0.085 19486 806 1 3 . 1 1 37 37 ILE H H 37 8.802 8.802 8.495 0.307 19486 807 1 3 . 1 1 38 38 CYS N N 38 115.962 115.962 114.828 1.134 19486 808 1 3 . 1 1 38 38 CYS HA H 38 5.137 5.137 5.001 0.136 19486 809 1 3 . 1 1 38 38 CYS C C 38 175.994 175.994 176.023 -0.029 19486 810 1 3 . 1 1 38 38 CYS CA C 38 58.260 58.260 57.403 0.857 19486 811 1 3 . 1 1 38 38 CYS CB C 38 32.806 32.806 29.932 2.874 19486 812 1 3 . 1 1 38 38 CYS H H 38 8.070 8.070 8.145 -0.075 19486 813 1 3 . 1 1 39 39 GLY N N 39 113.286 113.286 111.430 1.856 19486 814 1 3 . 1 1 39 39 GLY C C 39 169.495 169.495 174.730 -5.235 19486 815 1 3 . 1 1 39 39 GLY CA C 39 46.446 46.446 46.079 0.367 19486 816 1 3 . 1 1 39 39 GLY H H 39 8.113 8.113 8.163 -0.050 19486 817 1 3 . 1 1 40 40 GLU N N 40 122.500 122.500 119.850 2.650 19486 818 1 3 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.054 -0.026 19486 819 1 3 . 1 1 40 40 GLU C C 40 171.486 171.486 175.941 -4.455 19486 820 1 3 . 1 1 40 40 GLU CA C 40 57.719 57.719 57.044 0.675 19486 821 1 3 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.141 0.293 19486 822 1 3 . 1 1 40 40 GLU H H 40 8.119 8.119 7.982 0.137 19486 823 1 3 . 1 1 41 41 ARG N N 41 120.904 120.904 122.082 -1.178 19486 824 1 3 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.907 0.031 19486 825 1 3 . 1 1 41 41 ARG C C 41 173.428 173.428 175.630 -2.202 19486 826 1 3 . 1 1 41 41 ARG CA C 41 55.153 55.153 55.510 -0.357 19486 827 1 3 . 1 1 41 41 ARG CB C 41 32.810 32.810 31.896 0.914 19486 828 1 3 . 1 1 41 41 ARG H H 41 8.051 8.051 8.292 -0.241 19486 829 1 3 . 1 1 42 42 PHE N N 42 119.481 119.481 123.148 -3.667 19486 830 1 3 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.804 -0.116 19486 831 1 3 . 1 1 42 42 PHE CA C 42 56.737 56.737 54.666 2.071 19486 832 1 3 . 1 1 42 42 PHE CB C 42 41.976 41.976 40.819 1.157 19486 833 1 3 . 1 1 42 42 PHE H H 42 8.856 8.856 8.515 0.341 19486 834 1 3 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.144 0.645 19486 835 1 3 . 1 1 43 43 PRO C C 43 174.319 174.319 175.898 -1.579 19486 836 1 3 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.770 -0.104 19486 837 1 3 . 1 1 43 43 PRO CB C 43 32.803 32.803 31.983 0.820 19486 838 1 3 . 1 1 44 44 SER N N 44 110.500 110.500 112.826 -2.326 19486 839 1 3 . 1 1 44 44 SER HA H 44 4.601 4.601 4.498 0.103 19486 840 1 3 . 1 1 44 44 SER C C 44 166.956 166.956 172.655 -5.699 19486 841 1 3 . 1 1 44 44 SER CA C 44 55.700 55.700 56.970 -1.270 19486 842 1 3 . 1 1 44 44 SER CB C 44 67.018 67.018 65.832 1.186 19486 843 1 3 . 1 1 44 44 SER H H 44 7.246 7.246 7.370 -0.124 19486 844 1 3 . 1 1 45 45 LEU N N 45 122.780 122.780 122.620 0.160 19486 845 1 3 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.718 -1.213 19486 846 1 3 . 1 1 45 45 LEU C C 45 181.968 181.968 174.984 6.984 19486 847 1 3 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.335 2.937 19486 848 1 3 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.397 0.780 19486 849 1 3 . 1 1 45 45 LEU H H 45 8.272 8.272 8.832 -0.560 19486 850 1 3 . 1 1 46 46 LEU N N 46 121.552 121.552 118.420 3.132 19486 851 1 3 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.487 -0.453 19486 852 1 3 . 1 1 46 46 LEU C C 46 180.359 180.359 178.046 2.313 19486 853 1 3 . 1 1 46 46 LEU CA C 46 58.636 58.636 55.734 2.902 19486 854 1 3 . 1 1 46 46 LEU CB C 46 42.115 42.115 42.972 -0.857 19486 855 1 3 . 1 1 46 46 LEU H H 46 8.289 8.289 7.518 0.771 19486 856 1 3 . 1 1 47 47 THR N N 47 109.081 109.081 115.126 -6.045 19486 857 1 3 . 1 1 47 47 THR HA H 47 3.980 3.980 4.030 -0.050 19486 858 1 3 . 1 1 47 47 THR C C 47 179.649 179.649 176.145 3.504 19486 859 1 3 . 1 1 47 47 THR CA C 47 65.057 65.057 65.520 -0.463 19486 860 1 3 . 1 1 47 47 THR CB C 47 69.160 69.160 68.860 0.300 19486 861 1 3 . 1 1 47 47 THR H H 47 7.456 7.456 7.677 -0.221 19486 862 1 3 . 1 1 48 48 LEU N N 48 124.194 124.194 121.556 2.638 19486 863 1 3 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.436 -0.167 19486 864 1 3 . 1 1 48 48 LEU C C 48 178.335 178.335 178.443 -0.108 19486 865 1 3 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.049 0.332 19486 866 1 3 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.035 -0.168 19486 867 1 3 . 1 1 48 48 LEU H H 48 7.582 7.582 7.662 -0.080 19486 868 1 3 . 1 1 49 49 THR N N 49 117.072 117.072 115.107 1.965 19486 869 1 3 . 1 1 49 49 THR HA H 49 3.645 3.645 3.952 -0.307 19486 870 1 3 . 1 1 49 49 THR C C 49 175.471 175.471 176.620 -1.149 19486 871 1 3 . 1 1 49 49 THR CA C 49 67.720 67.720 67.019 0.701 19486 872 1 3 . 1 1 49 49 THR CB C 49 68.791 68.791 68.661 0.130 19486 873 1 3 . 1 1 49 49 THR H H 49 8.558 8.558 7.780 0.778 19486 874 1 3 . 1 1 50 50 GLU N N 50 120.004 120.004 121.067 -1.063 19486 875 1 3 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.905 0.024 19486 876 1 3 . 1 1 50 50 GLU C C 50 179.081 179.081 178.963 0.118 19486 877 1 3 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.306 -0.175 19486 878 1 3 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.607 0.077 19486 879 1 3 . 1 1 50 50 GLU H H 50 7.966 7.966 7.782 0.184 19486 880 1 3 . 1 1 51 51 HIS N N 51 117.288 117.288 119.174 -1.886 19486 881 1 3 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.179 0.070 19486 882 1 3 . 1 1 51 51 HIS C C 51 178.240 178.240 176.892 1.348 19486 883 1 3 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.901 -0.416 19486 884 1 3 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.724 -1.660 19486 885 1 3 . 1 1 51 51 HIS H H 51 7.377 7.377 7.836 -0.459 19486 886 1 3 . 1 1 52 52 LYS N N 52 120.729 120.729 118.489 2.240 19486 887 1 3 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.083 -0.405 19486 888 1 3 . 1 1 52 52 LYS C C 52 178.361 178.361 178.896 -0.535 19486 889 1 3 . 1 1 52 52 LYS CA C 52 60.653 60.653 58.923 1.730 19486 890 1 3 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.228 0.232 19486 891 1 3 . 1 1 52 52 LYS H H 52 8.572 8.572 7.710 0.862 19486 892 1 3 . 1 1 53 53 VAL N N 53 112.220 112.220 113.687 -1.467 19486 893 1 3 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.061 0.038 19486 894 1 3 . 1 1 53 53 VAL C C 53 175.078 175.078 178.175 -3.097 19486 895 1 3 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.832 -1.392 19486 896 1 3 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.833 -0.446 19486 897 1 3 . 1 1 53 53 VAL H H 53 6.940 6.940 7.502 -0.562 19486 898 1 3 . 1 1 54 54 THR N N 54 110.466 110.466 113.390 -2.924 19486 899 1 3 . 1 1 54 54 THR HA H 54 4.135 4.135 4.252 -0.117 19486 900 1 3 . 1 1 54 54 THR C C 54 171.847 171.847 174.825 -2.978 19486 901 1 3 . 1 1 54 54 THR CA C 54 63.056 63.056 61.224 1.832 19486 902 1 3 . 1 1 54 54 THR CB C 54 69.595 69.595 67.774 1.821 19486 903 1 3 . 1 1 54 54 THR H H 54 7.581 7.581 7.543 0.038 19486 904 1 4 . 1 1 2 2 GLY N N 2 110.487 110.487 113.159 -2.672 19486 905 1 4 . 1 1 2 2 GLY C C 2 169.148 169.148 173.750 -4.602 19486 906 1 4 . 1 1 2 2 GLY CA C 2 45.079 45.079 45.704 -0.625 19486 907 1 4 . 1 1 2 2 GLY H H 2 8.216 8.216 8.382 -0.166 19486 908 1 4 . 1 1 3 3 SER N N 3 114.424 114.424 120.719 -6.295 19486 909 1 4 . 1 1 3 3 SER HA H 3 4.357 4.357 4.545 -0.188 19486 910 1 4 . 1 1 3 3 SER C C 3 169.812 169.812 174.374 -4.562 19486 911 1 4 . 1 1 3 3 SER CA C 3 58.382 58.382 57.676 0.706 19486 912 1 4 . 1 1 3 3 SER CB C 3 64.088 64.088 62.894 1.194 19486 913 1 4 . 1 1 3 3 SER H H 3 7.996 7.996 8.466 -0.470 19486 914 1 4 . 1 1 4 4 HIS N N 4 122.476 122.476 127.005 -4.529 19486 915 1 4 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.353 0.255 19486 916 1 4 . 1 1 4 4 HIS C C 4 170.682 170.682 173.884 -3.202 19486 917 1 4 . 1 1 4 4 HIS CA C 4 55.362 55.362 56.588 -1.226 19486 918 1 4 . 1 1 4 4 HIS CB C 4 30.816 30.816 31.139 -0.323 19486 919 1 4 . 1 1 4 4 HIS H H 4 8.315 8.315 7.949 0.366 19486 920 1 4 . 1 1 5 5 LYS N N 5 125.975 125.975 124.202 1.773 19486 921 1 4 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.142 0.613 19486 922 1 4 . 1 1 5 5 LYS C C 5 172.684 172.684 175.560 -2.876 19486 923 1 4 . 1 1 5 5 LYS CA C 5 55.663 55.663 55.335 0.328 19486 924 1 4 . 1 1 5 5 LYS CB C 5 35.248 35.248 33.906 1.342 19486 925 1 4 . 1 1 5 5 LYS H H 5 8.655 8.655 7.898 0.757 19486 926 1 4 . 1 1 6 6 CYS N N 6 127.588 127.588 125.888 1.700 19486 927 1 4 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.618 -0.162 19486 928 1 4 . 1 1 6 6 CYS C C 6 175.723 175.723 175.671 0.052 19486 929 1 4 . 1 1 6 6 CYS CA C 6 60.218 60.218 57.494 2.724 19486 930 1 4 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.527 3.186 19486 931 1 4 . 1 1 6 6 CYS H H 6 9.046 9.046 8.524 0.522 19486 932 1 4 . 1 1 7 7 ASN N N 7 128.450 128.450 126.695 1.755 19486 933 1 4 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.341 0.267 19486 934 1 4 . 1 1 7 7 ASN C C 7 172.781 172.781 176.389 -3.608 19486 935 1 4 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.473 -1.455 19486 936 1 4 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.299 -0.158 19486 937 1 4 . 1 1 7 7 ASN H H 7 9.075 9.075 8.914 0.161 19486 938 1 4 . 1 1 8 8 VAL N N 8 123.473 123.473 119.113 4.360 19486 939 1 4 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.744 0.061 19486 940 1 4 . 1 1 8 8 VAL C C 8 176.694 176.694 177.183 -0.489 19486 941 1 4 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.835 0.191 19486 942 1 4 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.470 1.492 19486 943 1 4 . 1 1 8 8 VAL H H 8 9.223 9.223 8.063 1.160 19486 944 1 4 . 1 1 9 9 CYS N N 9 118.379 118.379 116.008 2.371 19486 945 1 4 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.427 0.732 19486 946 1 4 . 1 1 9 9 CYS C C 9 173.754 173.754 175.341 -1.587 19486 947 1 4 . 1 1 9 9 CYS CA C 9 58.452 58.452 60.116 -1.664 19486 948 1 4 . 1 1 9 9 CYS CB C 9 32.344 32.344 27.427 4.917 19486 949 1 4 . 1 1 9 9 CYS H H 9 8.457 8.457 7.969 0.488 19486 950 1 4 . 1 1 10 10 SER N N 10 114.054 114.054 111.120 2.934 19486 951 1 4 . 1 1 10 10 SER HA H 10 4.260 4.260 4.053 0.207 19486 952 1 4 . 1 1 10 10 SER C C 10 169.209 169.209 173.814 -4.605 19486 953 1 4 . 1 1 10 10 SER CA C 10 61.286 61.286 60.077 1.209 19486 954 1 4 . 1 1 10 10 SER CB C 10 62.173 62.173 61.658 0.515 19486 955 1 4 . 1 1 10 10 SER H H 10 7.910 7.910 8.445 -0.535 19486 956 1 4 . 1 1 11 11 ARG N N 11 122.514 122.514 120.906 1.608 19486 957 1 4 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.565 -0.487 19486 958 1 4 . 1 1 11 11 ARG C C 11 172.193 172.193 175.260 -3.067 19486 959 1 4 . 1 1 11 11 ARG CA C 11 57.889 57.889 55.017 2.872 19486 960 1 4 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.404 0.165 19486 961 1 4 . 1 1 11 11 ARG H H 11 8.047 8.047 7.720 0.327 19486 962 1 4 . 1 1 12 12 THR N N 12 111.399 111.399 112.620 -1.221 19486 963 1 4 . 1 1 12 12 THR HA H 12 4.896 4.896 4.291 0.605 19486 964 1 4 . 1 1 12 12 THR C C 12 168.910 168.910 172.697 -3.787 19486 965 1 4 . 1 1 12 12 THR CA C 12 60.396 60.396 60.682 -0.286 19486 966 1 4 . 1 1 12 12 THR CB C 12 71.239 71.239 70.607 0.632 19486 967 1 4 . 1 1 12 12 THR H H 12 7.716 7.716 7.877 -0.161 19486 968 1 4 . 1 1 13 13 PHE N N 13 118.814 118.814 123.550 -4.736 19486 969 1 4 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.378 0.062 19486 970 1 4 . 1 1 13 13 PHE C C 13 173.256 173.256 175.172 -1.916 19486 971 1 4 . 1 1 13 13 PHE CA C 13 57.579 57.579 57.210 0.369 19486 972 1 4 . 1 1 13 13 PHE CB C 13 43.109 43.109 41.106 2.003 19486 973 1 4 . 1 1 13 13 PHE H H 13 8.527 8.527 8.710 -0.183 19486 974 1 4 . 1 1 14 14 PHE N N 14 119.476 119.476 121.481 -2.005 19486 975 1 4 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.342 0.458 19486 976 1 4 . 1 1 14 14 PHE C C 14 173.255 173.255 175.796 -2.541 19486 977 1 4 . 1 1 14 14 PHE CA C 14 59.206 59.206 59.822 -0.616 19486 978 1 4 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.270 0.166 19486 979 1 4 . 1 1 14 14 PHE H H 14 8.975 8.975 8.018 0.957 19486 980 1 4 . 1 1 15 15 SER N N 15 111.316 111.316 113.610 -2.294 19486 981 1 4 . 1 1 15 15 SER HA H 15 4.573 4.573 4.642 -0.069 19486 982 1 4 . 1 1 15 15 SER C C 15 169.172 169.172 175.111 -5.939 19486 983 1 4 . 1 1 15 15 SER CA C 15 55.948 55.948 56.120 -0.172 19486 984 1 4 . 1 1 15 15 SER CB C 15 67.029 67.029 64.698 2.331 19486 985 1 4 . 1 1 15 15 SER H H 15 7.813 7.813 8.361 -0.548 19486 986 1 4 . 1 1 16 16 GLU N N 16 123.055 123.055 126.875 -3.820 19486 987 1 4 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.190 -0.770 19486 988 1 4 . 1 1 16 16 GLU C C 16 179.932 179.932 177.829 2.103 19486 989 1 4 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.197 0.097 19486 990 1 4 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.561 -0.523 19486 991 1 4 . 1 1 16 16 GLU H H 16 8.755 8.755 8.969 -0.214 19486 992 1 4 . 1 1 17 17 ASN N N 17 117.537 117.537 118.875 -1.338 19486 993 1 4 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.590 -0.305 19486 994 1 4 . 1 1 17 17 ASN C C 17 177.403 177.403 177.619 -0.216 19486 995 1 4 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.115 1.329 19486 996 1 4 . 1 1 17 17 ASN CB C 17 37.954 37.954 38.231 -0.277 19486 997 1 4 . 1 1 17 17 ASN H H 17 8.548 8.548 7.856 0.692 19486 998 1 4 . 1 1 18 18 GLY N N 18 108.587 108.587 109.056 -0.469 19486 999 1 4 . 1 1 18 18 GLY C C 18 175.491 175.491 175.702 -0.211 19486 1000 1 4 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.367 0.322 19486 1001 1 4 . 1 1 18 18 GLY H H 18 8.038 8.038 7.725 0.313 19486 1002 1 4 . 1 1 19 19 LEU N N 19 123.120 123.120 121.811 1.309 19486 1003 1 4 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.172 -0.955 19486 1004 1 4 . 1 1 19 19 LEU C C 19 176.975 176.975 178.610 -1.635 19486 1005 1 4 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.187 0.587 19486 1006 1 4 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.619 -0.724 19486 1007 1 4 . 1 1 19 19 LEU H H 19 7.240 7.240 7.342 -0.102 19486 1008 1 4 . 1 1 20 20 ARG N N 20 119.506 119.506 117.975 1.531 19486 1009 1 4 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.977 -0.193 19486 1010 1 4 . 1 1 20 20 ARG C C 20 181.705 181.705 178.061 3.644 19486 1011 1 4 . 1 1 20 20 ARG CA C 20 60.383 60.383 59.420 0.963 19486 1012 1 4 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.944 -0.017 19486 1013 1 4 . 1 1 20 20 ARG H H 20 8.426 8.426 7.358 1.068 19486 1014 1 4 . 1 1 21 21 GLU N N 21 117.954 117.954 117.810 0.144 19486 1015 1 4 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.107 -0.167 19486 1016 1 4 . 1 1 21 21 GLU C C 21 180.973 180.973 178.944 2.029 19486 1017 1 4 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.787 0.368 19486 1018 1 4 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.888 -0.266 19486 1019 1 4 . 1 1 21 21 GLU H H 21 7.961 7.961 7.778 0.183 19486 1020 1 4 . 1 1 22 22 HIS N N 22 119.084 119.084 120.139 -1.055 19486 1021 1 4 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.358 -0.122 19486 1022 1 4 . 1 1 22 22 HIS C C 22 179.182 179.182 177.098 2.084 19486 1023 1 4 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.882 -0.021 19486 1024 1 4 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.914 -1.655 19486 1025 1 4 . 1 1 22 22 HIS H H 22 7.434 7.434 7.978 -0.544 19486 1026 1 4 . 1 1 23 23 LEU N N 23 122.153 122.153 119.684 2.469 19486 1027 1 4 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.249 -0.484 19486 1028 1 4 . 1 1 23 23 LEU C C 23 181.265 181.265 178.658 2.607 19486 1029 1 4 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.079 1.508 19486 1030 1 4 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.681 0.159 19486 1031 1 4 . 1 1 23 23 LEU H H 23 8.835 8.835 7.932 0.903 19486 1032 1 4 . 1 1 24 24 GLN N N 24 115.740 115.740 117.103 -1.363 19486 1033 1 4 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.155 -0.147 19486 1034 1 4 . 1 1 24 24 GLN C C 24 178.454 178.454 178.262 0.192 19486 1035 1 4 . 1 1 24 24 GLN CA C 24 57.970 57.970 57.915 0.055 19486 1036 1 4 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.069 0.362 19486 1037 1 4 . 1 1 24 24 GLN H H 24 7.142 7.142 7.840 -0.698 19486 1038 1 4 . 1 1 25 25 THR N N 25 109.376 109.376 111.678 -2.302 19486 1039 1 4 . 1 1 25 25 THR HA H 25 4.129 4.129 3.965 0.164 19486 1040 1 4 . 1 1 25 25 THR C C 25 173.471 173.471 174.752 -1.281 19486 1041 1 4 . 1 1 25 25 THR CA C 25 63.754 63.754 63.558 0.196 19486 1042 1 4 . 1 1 25 25 THR CB C 25 69.467 69.467 68.328 1.139 19486 1043 1 4 . 1 1 25 25 THR H H 25 7.801 7.801 7.454 0.347 19486 1044 1 4 . 1 1 26 26 HIS N N 26 118.158 118.158 117.430 0.728 19486 1045 1 4 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.807 0.084 19486 1046 1 4 . 1 1 26 26 HIS C C 26 171.847 171.847 175.718 -3.871 19486 1047 1 4 . 1 1 26 26 HIS CA C 26 55.083 55.083 55.410 -0.327 19486 1048 1 4 . 1 1 26 26 HIS CB C 26 28.686 28.686 30.502 -1.816 19486 1049 1 4 . 1 1 26 26 HIS H H 26 7.095 7.095 7.492 -0.397 19486 1050 1 4 . 1 1 27 27 ARG N N 27 120.083 120.083 120.774 -0.691 19486 1051 1 4 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.167 0.233 19486 1052 1 4 . 1 1 27 27 ARG C C 27 175.194 175.194 176.881 -1.687 19486 1053 1 4 . 1 1 27 27 ARG CA C 27 56.387 56.387 57.514 -1.127 19486 1054 1 4 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.655 0.605 19486 1055 1 4 . 1 1 27 27 ARG H H 27 7.630 7.630 7.853 -0.223 19486 1056 1 4 . 1 1 28 28 GLY N N 28 109.773 109.773 106.468 3.305 19486 1057 1 4 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.641 -0.009 19486 1058 1 4 . 1 1 28 28 GLY H H 28 8.217 8.217 7.994 0.223 19486 1059 1 4 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.549 -0.162 19486 1060 1 4 . 1 1 29 29 PRO C C 29 176.069 176.069 175.962 0.107 19486 1061 1 4 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.795 0.235 19486 1062 1 4 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.607 -0.380 19486 1063 1 4 . 1 1 30 30 ALA N N 30 124.277 124.277 126.000 -1.723 19486 1064 1 4 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.590 -0.399 19486 1065 1 4 . 1 1 30 30 ALA C C 30 177.466 177.466 177.066 0.400 19486 1066 1 4 . 1 1 30 30 ALA CA C 30 52.423 52.423 51.157 1.266 19486 1067 1 4 . 1 1 30 30 ALA CB C 30 19.185 19.185 18.613 0.572 19486 1068 1 4 . 1 1 30 30 ALA H H 30 8.312 8.312 8.322 -0.010 19486 1069 1 4 . 1 1 31 31 LYS N N 31 120.503 120.503 121.740 -1.237 19486 1070 1 4 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.332 -0.179 19486 1071 1 4 . 1 1 31 31 LYS C C 31 173.444 173.444 175.450 -2.006 19486 1072 1 4 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.399 -0.429 19486 1073 1 4 . 1 1 31 31 LYS CB C 31 33.189 33.189 32.828 0.361 19486 1074 1 4 . 1 1 31 31 LYS H H 31 8.160 8.160 8.208 -0.048 19486 1075 1 4 . 1 1 32 32 HIS N N 32 118.745 118.745 118.956 -0.211 19486 1076 1 4 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.594 0.048 19486 1077 1 4 . 1 1 32 32 HIS C C 32 171.199 171.199 174.142 -2.943 19486 1078 1 4 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.748 -0.107 19486 1079 1 4 . 1 1 32 32 HIS CB C 32 32.293 32.293 28.399 3.894 19486 1080 1 4 . 1 1 32 32 HIS H H 32 7.888 7.888 7.915 -0.027 19486 1081 1 4 . 1 1 33 33 TYR N N 33 120.158 120.158 121.793 -1.635 19486 1082 1 4 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.602 -0.058 19486 1083 1 4 . 1 1 33 33 TYR C C 33 172.174 172.174 174.114 -1.940 19486 1084 1 4 . 1 1 33 33 TYR CA C 33 57.776 57.776 57.537 0.239 19486 1085 1 4 . 1 1 33 33 TYR CB C 33 39.394 39.394 37.749 1.645 19486 1086 1 4 . 1 1 33 33 TYR H H 33 8.672 8.672 7.631 1.041 19486 1087 1 4 . 1 1 34 34 MET N N 34 123.629 123.629 123.608 0.021 19486 1088 1 4 . 1 1 34 34 MET HA H 34 5.113 5.113 5.310 -0.197 19486 1089 1 4 . 1 1 34 34 MET C C 34 172.661 172.661 175.248 -2.587 19486 1090 1 4 . 1 1 34 34 MET CA C 34 54.285 54.285 53.599 0.686 19486 1091 1 4 . 1 1 34 34 MET CB C 34 35.606 35.606 36.460 -0.854 19486 1092 1 4 . 1 1 34 34 MET H H 34 8.770 8.770 8.466 0.304 19486 1093 1 4 . 1 1 35 35 CYS N N 35 128.648 128.648 126.897 1.751 19486 1094 1 4 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.761 0.053 19486 1095 1 4 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.836 -0.607 19486 1096 1 4 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.679 2.734 19486 1097 1 4 . 1 1 35 35 CYS H H 35 9.412 9.412 8.563 0.848 19486 1098 1 4 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.285 0.242 19486 1099 1 4 . 1 1 36 36 PRO C C 36 175.359 175.359 177.159 -1.800 19486 1100 1 4 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.145 -1.015 19486 1101 1 4 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.952 0.375 19486 1102 1 4 . 1 1 37 37 ILE N N 37 121.680 121.680 117.770 3.910 19486 1103 1 4 . 1 1 37 37 ILE HA H 37 3.906 3.906 4.021 -0.115 19486 1104 1 4 . 1 1 37 37 ILE C C 37 176.316 176.316 177.502 -1.186 19486 1105 1 4 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.886 0.274 19486 1106 1 4 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.674 -0.341 19486 1107 1 4 . 1 1 37 37 ILE H H 37 8.802 8.802 8.079 0.723 19486 1108 1 4 . 1 1 38 38 CYS N N 38 115.962 115.962 114.049 1.913 19486 1109 1 4 . 1 1 38 38 CYS HA H 38 5.137 5.137 5.006 0.131 19486 1110 1 4 . 1 1 38 38 CYS C C 38 175.994 175.994 175.580 0.414 19486 1111 1 4 . 1 1 38 38 CYS CA C 38 58.260 58.260 56.996 1.264 19486 1112 1 4 . 1 1 38 38 CYS CB C 38 32.806 32.806 28.677 4.130 19486 1113 1 4 . 1 1 38 38 CYS H H 38 8.070 8.070 8.139 -0.069 19486 1114 1 4 . 1 1 39 39 GLY N N 39 113.286 113.286 111.121 2.165 19486 1115 1 4 . 1 1 39 39 GLY C C 39 169.495 169.495 174.665 -5.170 19486 1116 1 4 . 1 1 39 39 GLY CA C 39 46.446 46.446 46.076 0.370 19486 1117 1 4 . 1 1 39 39 GLY H H 39 8.113 8.113 8.002 0.111 19486 1118 1 4 . 1 1 40 40 GLU N N 40 122.500 122.500 119.810 2.690 19486 1119 1 4 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.192 -0.164 19486 1120 1 4 . 1 1 40 40 GLU C C 40 171.486 171.486 176.515 -5.029 19486 1121 1 4 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.458 1.261 19486 1122 1 4 . 1 1 40 40 GLU CB C 40 30.434 30.434 29.644 0.790 19486 1123 1 4 . 1 1 40 40 GLU H H 40 8.119 8.119 8.347 -0.228 19486 1124 1 4 . 1 1 41 41 ARG N N 41 120.904 120.904 124.303 -3.399 19486 1125 1 4 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.812 0.126 19486 1126 1 4 . 1 1 41 41 ARG C C 41 173.428 173.428 175.086 -1.658 19486 1127 1 4 . 1 1 41 41 ARG CA C 41 55.153 55.153 54.930 0.223 19486 1128 1 4 . 1 1 41 41 ARG CB C 41 32.810 32.810 30.652 2.158 19486 1129 1 4 . 1 1 41 41 ARG H H 41 8.051 8.051 8.491 -0.440 19486 1130 1 4 . 1 1 42 42 PHE N N 42 119.481 119.481 124.540 -5.059 19486 1131 1 4 . 1 1 42 42 PHE HA H 42 4.688 4.688 5.016 -0.328 19486 1132 1 4 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.099 1.638 19486 1133 1 4 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.283 0.693 19486 1134 1 4 . 1 1 42 42 PHE H H 42 8.856 8.856 8.865 -0.009 19486 1135 1 4 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.376 0.413 19486 1136 1 4 . 1 1 43 43 PRO C C 43 174.319 174.319 176.310 -1.991 19486 1137 1 4 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.826 -0.160 19486 1138 1 4 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.351 0.452 19486 1139 1 4 . 1 1 44 44 SER N N 44 110.500 110.500 111.286 -0.786 19486 1140 1 4 . 1 1 44 44 SER HA H 44 4.601 4.601 4.824 -0.223 19486 1141 1 4 . 1 1 44 44 SER C C 44 166.956 166.956 172.777 -5.821 19486 1142 1 4 . 1 1 44 44 SER CA C 44 55.700 55.700 56.681 -0.981 19486 1143 1 4 . 1 1 44 44 SER CB C 44 67.018 67.018 65.180 1.838 19486 1144 1 4 . 1 1 44 44 SER H H 44 7.246 7.246 7.678 -0.432 19486 1145 1 4 . 1 1 45 45 LEU N N 45 122.780 122.780 123.637 -0.857 19486 1146 1 4 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.172 -0.667 19486 1147 1 4 . 1 1 45 45 LEU C C 45 181.968 181.968 175.006 6.962 19486 1148 1 4 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.163 3.109 19486 1149 1 4 . 1 1 45 45 LEU CB C 45 41.177 41.177 38.567 2.610 19486 1150 1 4 . 1 1 45 45 LEU H H 45 8.272 8.272 8.479 -0.207 19486 1151 1 4 . 1 1 46 46 LEU N N 46 121.552 121.552 118.959 2.593 19486 1152 1 4 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.417 -0.383 19486 1153 1 4 . 1 1 46 46 LEU C C 46 180.359 180.359 177.884 2.475 19486 1154 1 4 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.277 2.359 19486 1155 1 4 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.333 -1.218 19486 1156 1 4 . 1 1 46 46 LEU H H 46 8.289 8.289 7.779 0.510 19486 1157 1 4 . 1 1 47 47 THR N N 47 109.081 109.081 115.760 -6.679 19486 1158 1 4 . 1 1 47 47 THR HA H 47 3.980 3.980 4.247 -0.267 19486 1159 1 4 . 1 1 47 47 THR C C 47 179.649 179.649 176.301 3.348 19486 1160 1 4 . 1 1 47 47 THR CA C 47 65.057 65.057 65.299 -0.242 19486 1161 1 4 . 1 1 47 47 THR CB C 47 69.160 69.160 69.083 0.077 19486 1162 1 4 . 1 1 47 47 THR H H 47 7.456 7.456 7.654 -0.198 19486 1163 1 4 . 1 1 48 48 LEU N N 48 124.194 124.194 122.650 1.544 19486 1164 1 4 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.577 -0.308 19486 1165 1 4 . 1 1 48 48 LEU C C 48 178.335 178.335 178.366 -0.031 19486 1166 1 4 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.237 0.144 19486 1167 1 4 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.371 -0.504 19486 1168 1 4 . 1 1 48 48 LEU H H 48 7.582 7.582 7.563 0.019 19486 1169 1 4 . 1 1 49 49 THR N N 49 117.072 117.072 114.938 2.134 19486 1170 1 4 . 1 1 49 49 THR HA H 49 3.645 3.645 3.822 -0.177 19486 1171 1 4 . 1 1 49 49 THR C C 49 175.471 175.471 176.574 -1.103 19486 1172 1 4 . 1 1 49 49 THR CA C 49 67.720 67.720 67.089 0.631 19486 1173 1 4 . 1 1 49 49 THR CB C 49 68.791 68.791 68.445 0.346 19486 1174 1 4 . 1 1 49 49 THR H H 49 8.558 8.558 8.073 0.485 19486 1175 1 4 . 1 1 50 50 GLU N N 50 120.004 120.004 121.199 -1.195 19486 1176 1 4 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.871 0.058 19486 1177 1 4 . 1 1 50 50 GLU C C 50 179.081 179.081 178.931 0.150 19486 1178 1 4 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.366 -0.236 19486 1179 1 4 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.472 0.212 19486 1180 1 4 . 1 1 50 50 GLU H H 50 7.966 7.966 7.811 0.155 19486 1181 1 4 . 1 1 51 51 HIS N N 51 117.288 117.288 119.098 -1.810 19486 1182 1 4 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.278 -0.029 19486 1183 1 4 . 1 1 51 51 HIS C C 51 178.240 178.240 175.873 2.367 19486 1184 1 4 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.657 -0.171 19486 1185 1 4 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.829 -1.766 19486 1186 1 4 . 1 1 51 51 HIS H H 51 7.377 7.377 7.552 -0.175 19486 1187 1 4 . 1 1 52 52 LYS N N 52 120.729 120.729 117.621 3.108 19486 1188 1 4 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.101 -0.423 19486 1189 1 4 . 1 1 52 52 LYS C C 52 178.361 178.361 179.351 -0.990 19486 1190 1 4 . 1 1 52 52 LYS CA C 52 60.653 60.653 58.790 1.863 19486 1191 1 4 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.824 -0.364 19486 1192 1 4 . 1 1 52 52 LYS H H 52 8.572 8.572 7.667 0.905 19486 1193 1 4 . 1 1 53 53 VAL N N 53 112.220 112.220 116.176 -3.956 19486 1194 1 4 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.087 0.012 19486 1195 1 4 . 1 1 53 53 VAL C C 53 175.078 175.078 177.127 -2.049 19486 1196 1 4 . 1 1 53 53 VAL CA C 53 63.440 63.440 65.132 -1.692 19486 1197 1 4 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.060 0.327 19486 1198 1 4 . 1 1 53 53 VAL H H 53 6.940 6.940 8.079 -1.139 19486 1199 1 4 . 1 1 54 54 THR N N 54 110.466 110.466 110.617 -0.151 19486 1200 1 4 . 1 1 54 54 THR HA H 54 4.135 4.135 4.303 -0.168 19486 1201 1 4 . 1 1 54 54 THR C C 54 171.847 171.847 174.912 -3.065 19486 1202 1 4 . 1 1 54 54 THR CA C 54 63.056 63.056 61.626 1.430 19486 1203 1 4 . 1 1 54 54 THR CB C 54 69.595 69.595 68.603 0.992 19486 1204 1 4 . 1 1 54 54 THR H H 54 7.581 7.581 7.604 -0.023 19486 1205 1 5 . 1 1 2 2 GLY N N 2 110.487 110.487 110.179 0.308 19486 1206 1 5 . 1 1 2 2 GLY C C 2 169.148 169.148 173.878 -4.730 19486 1207 1 5 . 1 1 2 2 GLY CA C 2 45.079 45.079 45.270 -0.191 19486 1208 1 5 . 1 1 2 2 GLY H H 2 8.216 8.216 8.169 0.047 19486 1209 1 5 . 1 1 3 3 SER N N 3 114.424 114.424 118.453 -4.029 19486 1210 1 5 . 1 1 3 3 SER HA H 3 4.357 4.357 4.682 -0.325 19486 1211 1 5 . 1 1 3 3 SER C C 3 169.812 169.812 173.634 -3.822 19486 1212 1 5 . 1 1 3 3 SER CA C 3 58.382 58.382 57.477 0.905 19486 1213 1 5 . 1 1 3 3 SER CB C 3 64.088 64.088 63.754 0.334 19486 1214 1 5 . 1 1 3 3 SER H H 3 7.996 7.996 8.312 -0.316 19486 1215 1 5 . 1 1 4 4 HIS N N 4 122.476 122.476 125.666 -3.190 19486 1216 1 5 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.408 0.200 19486 1217 1 5 . 1 1 4 4 HIS C C 4 170.682 170.682 172.860 -2.178 19486 1218 1 5 . 1 1 4 4 HIS CA C 4 55.362 55.362 55.177 0.185 19486 1219 1 5 . 1 1 4 4 HIS CB C 4 30.816 30.816 28.321 2.495 19486 1220 1 5 . 1 1 4 4 HIS H H 4 8.315 8.315 8.524 -0.209 19486 1221 1 5 . 1 1 5 5 LYS N N 5 125.975 125.975 121.490 4.485 19486 1222 1 5 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.365 0.390 19486 1223 1 5 . 1 1 5 5 LYS C C 5 172.684 172.684 175.243 -2.559 19486 1224 1 5 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.737 0.926 19486 1225 1 5 . 1 1 5 5 LYS CB C 5 35.248 35.248 35.379 -0.131 19486 1226 1 5 . 1 1 5 5 LYS H H 5 8.655 8.655 7.402 1.253 19486 1227 1 5 . 1 1 6 6 CYS N N 6 127.588 127.588 127.648 -0.060 19486 1228 1 5 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.512 -0.056 19486 1229 1 5 . 1 1 6 6 CYS C C 6 175.723 175.723 175.948 -0.225 19486 1230 1 5 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.693 1.525 19486 1231 1 5 . 1 1 6 6 CYS CB C 6 29.713 29.713 25.997 3.716 19486 1232 1 5 . 1 1 6 6 CYS H H 6 9.046 9.046 8.867 0.179 19486 1233 1 5 . 1 1 7 7 ASN N N 7 128.450 128.450 126.242 2.208 19486 1234 1 5 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.409 0.199 19486 1235 1 5 . 1 1 7 7 ASN C C 7 172.781 172.781 176.011 -3.230 19486 1236 1 5 . 1 1 7 7 ASN CA C 7 55.018 55.018 55.902 -0.884 19486 1237 1 5 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.567 -0.426 19486 1238 1 5 . 1 1 7 7 ASN H H 7 9.075 9.075 8.628 0.447 19486 1239 1 5 . 1 1 8 8 VAL N N 8 123.473 123.473 119.396 4.077 19486 1240 1 5 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.721 0.084 19486 1241 1 5 . 1 1 8 8 VAL C C 8 176.694 176.694 177.067 -0.373 19486 1242 1 5 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.913 0.113 19486 1243 1 5 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.186 1.776 19486 1244 1 5 . 1 1 8 8 VAL H H 8 9.223 9.223 8.170 1.053 19486 1245 1 5 . 1 1 9 9 CYS N N 9 118.379 118.379 117.095 1.284 19486 1246 1 5 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.530 0.629 19486 1247 1 5 . 1 1 9 9 CYS C C 9 173.754 173.754 175.878 -2.124 19486 1248 1 5 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.551 -1.099 19486 1249 1 5 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.405 3.939 19486 1250 1 5 . 1 1 9 9 CYS H H 9 8.457 8.457 8.162 0.295 19486 1251 1 5 . 1 1 10 10 SER N N 10 114.054 114.054 113.435 0.619 19486 1252 1 5 . 1 1 10 10 SER HA H 10 4.260 4.260 4.104 0.156 19486 1253 1 5 . 1 1 10 10 SER C C 10 169.209 169.209 173.941 -4.732 19486 1254 1 5 . 1 1 10 10 SER CA C 10 61.286 61.286 59.728 1.558 19486 1255 1 5 . 1 1 10 10 SER CB C 10 62.173 62.173 62.239 -0.066 19486 1256 1 5 . 1 1 10 10 SER H H 10 7.910 7.910 8.466 -0.556 19486 1257 1 5 . 1 1 11 11 ARG N N 11 122.514 122.514 120.521 1.993 19486 1258 1 5 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.468 -0.390 19486 1259 1 5 . 1 1 11 11 ARG C C 11 172.193 172.193 174.868 -2.675 19486 1260 1 5 . 1 1 11 11 ARG CA C 11 57.889 57.889 55.147 2.742 19486 1261 1 5 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.934 -0.365 19486 1262 1 5 . 1 1 11 11 ARG H H 11 8.047 8.047 7.624 0.423 19486 1263 1 5 . 1 1 12 12 THR N N 12 111.399 111.399 117.700 -6.301 19486 1264 1 5 . 1 1 12 12 THR HA H 12 4.896 4.896 4.533 0.363 19486 1265 1 5 . 1 1 12 12 THR C C 12 168.910 168.910 174.436 -5.526 19486 1266 1 5 . 1 1 12 12 THR CA C 12 60.396 60.396 59.780 0.616 19486 1267 1 5 . 1 1 12 12 THR CB C 12 71.239 71.239 69.641 1.598 19486 1268 1 5 . 1 1 12 12 THR H H 12 7.716 7.716 8.069 -0.353 19486 1269 1 5 . 1 1 13 13 PHE N N 13 118.814 118.814 125.468 -6.654 19486 1270 1 5 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.433 0.007 19486 1271 1 5 . 1 1 13 13 PHE C C 13 173.256 173.256 174.234 -0.978 19486 1272 1 5 . 1 1 13 13 PHE CA C 13 57.579 57.579 55.679 1.900 19486 1273 1 5 . 1 1 13 13 PHE CB C 13 43.109 43.109 38.284 4.825 19486 1274 1 5 . 1 1 13 13 PHE H H 13 8.527 8.527 8.809 -0.282 19486 1275 1 5 . 1 1 14 14 PHE N N 14 119.476 119.476 118.177 1.299 19486 1276 1 5 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.442 0.358 19486 1277 1 5 . 1 1 14 14 PHE C C 14 173.255 173.255 175.592 -2.337 19486 1278 1 5 . 1 1 14 14 PHE CA C 14 59.206 59.206 58.462 0.744 19486 1279 1 5 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.369 0.067 19486 1280 1 5 . 1 1 14 14 PHE H H 14 8.975 8.975 8.066 0.909 19486 1281 1 5 . 1 1 15 15 SER N N 15 111.316 111.316 115.461 -4.145 19486 1282 1 5 . 1 1 15 15 SER HA H 15 4.573 4.573 4.734 -0.161 19486 1283 1 5 . 1 1 15 15 SER C C 15 169.172 169.172 174.902 -5.730 19486 1284 1 5 . 1 1 15 15 SER CA C 15 55.948 55.948 56.888 -0.940 19486 1285 1 5 . 1 1 15 15 SER CB C 15 67.029 67.029 66.420 0.609 19486 1286 1 5 . 1 1 15 15 SER H H 15 7.813 7.813 7.887 -0.074 19486 1287 1 5 . 1 1 16 16 GLU N N 16 123.055 123.055 122.670 0.385 19486 1288 1 5 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.312 -0.892 19486 1289 1 5 . 1 1 16 16 GLU C C 16 179.932 179.932 177.944 1.988 19486 1290 1 5 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.542 -0.248 19486 1291 1 5 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.767 -0.729 19486 1292 1 5 . 1 1 16 16 GLU H H 16 8.755 8.755 9.117 -0.362 19486 1293 1 5 . 1 1 17 17 ASN N N 17 117.537 117.537 116.004 1.533 19486 1294 1 5 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.608 -0.323 19486 1295 1 5 . 1 1 17 17 ASN C C 17 177.403 177.403 177.762 -0.359 19486 1296 1 5 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.592 0.852 19486 1297 1 5 . 1 1 17 17 ASN CB C 17 37.954 37.954 38.049 -0.095 19486 1298 1 5 . 1 1 17 17 ASN H H 17 8.548 8.548 8.659 -0.111 19486 1299 1 5 . 1 1 18 18 GLY N N 18 108.587 108.587 109.947 -1.360 19486 1300 1 5 . 1 1 18 18 GLY C C 18 175.491 175.491 176.291 -0.800 19486 1301 1 5 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.881 -0.192 19486 1302 1 5 . 1 1 18 18 GLY H H 18 8.038 8.038 7.674 0.364 19486 1303 1 5 . 1 1 19 19 LEU N N 19 123.120 123.120 123.151 -0.031 19486 1304 1 5 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.161 -0.944 19486 1305 1 5 . 1 1 19 19 LEU C C 19 176.975 176.975 178.575 -1.600 19486 1306 1 5 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.781 -0.007 19486 1307 1 5 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.696 -0.801 19486 1308 1 5 . 1 1 19 19 LEU H H 19 7.240 7.240 7.737 -0.497 19486 1309 1 5 . 1 1 20 20 ARG N N 20 119.506 119.506 117.487 2.019 19486 1310 1 5 . 1 1 20 20 ARG HA H 20 3.784 3.784 4.036 -0.252 19486 1311 1 5 . 1 1 20 20 ARG C C 20 181.705 181.705 179.031 2.674 19486 1312 1 5 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.399 1.984 19486 1313 1 5 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.377 0.550 19486 1314 1 5 . 1 1 20 20 ARG H H 20 8.426 8.426 7.935 0.491 19486 1315 1 5 . 1 1 21 21 GLU N N 21 117.954 117.954 119.046 -1.092 19486 1316 1 5 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.194 -0.254 19486 1317 1 5 . 1 1 21 21 GLU C C 21 180.973 180.973 179.360 1.613 19486 1318 1 5 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.877 0.278 19486 1319 1 5 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.576 0.046 19486 1320 1 5 . 1 1 21 21 GLU H H 21 7.961 7.961 8.129 -0.168 19486 1321 1 5 . 1 1 22 22 HIS N N 22 119.084 119.084 119.756 -0.672 19486 1322 1 5 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.431 -0.195 19486 1323 1 5 . 1 1 22 22 HIS C C 22 179.182 179.182 177.823 1.359 19486 1324 1 5 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.808 0.052 19486 1325 1 5 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.962 -1.703 19486 1326 1 5 . 1 1 22 22 HIS H H 22 7.434 7.434 7.882 -0.448 19486 1327 1 5 . 1 1 23 23 LEU N N 23 122.153 122.153 120.371 1.782 19486 1328 1 5 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.168 -0.403 19486 1329 1 5 . 1 1 23 23 LEU C C 23 181.265 181.265 178.514 2.751 19486 1330 1 5 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.752 0.835 19486 1331 1 5 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.808 0.032 19486 1332 1 5 . 1 1 23 23 LEU H H 23 8.835 8.835 8.242 0.593 19486 1333 1 5 . 1 1 24 24 GLN N N 24 115.740 115.740 115.823 -0.083 19486 1334 1 5 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.211 -0.203 19486 1335 1 5 . 1 1 24 24 GLN C C 24 178.454 178.454 178.225 0.229 19486 1336 1 5 . 1 1 24 24 GLN CA C 24 57.970 57.970 57.722 0.248 19486 1337 1 5 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.019 0.412 19486 1338 1 5 . 1 1 24 24 GLN H H 24 7.142 7.142 7.907 -0.765 19486 1339 1 5 . 1 1 25 25 THR N N 25 109.376 109.376 110.910 -1.534 19486 1340 1 5 . 1 1 25 25 THR HA H 25 4.129 4.129 4.112 0.017 19486 1341 1 5 . 1 1 25 25 THR C C 25 173.471 173.471 175.099 -1.628 19486 1342 1 5 . 1 1 25 25 THR CA C 25 63.754 63.754 64.386 -0.632 19486 1343 1 5 . 1 1 25 25 THR CB C 25 69.467 69.467 68.336 1.131 19486 1344 1 5 . 1 1 25 25 THR H H 25 7.801 7.801 7.537 0.264 19486 1345 1 5 . 1 1 26 26 HIS N N 26 118.158 118.158 119.589 -1.431 19486 1346 1 5 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.772 0.119 19486 1347 1 5 . 1 1 26 26 HIS C C 26 171.847 171.847 175.231 -3.384 19486 1348 1 5 . 1 1 26 26 HIS CA C 26 55.083 55.083 56.768 -1.685 19486 1349 1 5 . 1 1 26 26 HIS CB C 26 28.686 28.686 30.667 -1.981 19486 1350 1 5 . 1 1 26 26 HIS H H 26 7.095 7.095 7.562 -0.467 19486 1351 1 5 . 1 1 27 27 ARG N N 27 120.083 120.083 117.813 2.270 19486 1352 1 5 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.539 -0.139 19486 1353 1 5 . 1 1 27 27 ARG C C 27 175.194 175.194 176.452 -1.258 19486 1354 1 5 . 1 1 27 27 ARG CA C 27 56.387 56.387 56.029 0.358 19486 1355 1 5 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.877 0.383 19486 1356 1 5 . 1 1 27 27 ARG H H 27 7.630 7.630 7.495 0.135 19486 1357 1 5 . 1 1 28 28 GLY N N 28 109.773 109.773 110.250 -0.477 19486 1358 1 5 . 1 1 28 28 GLY CA C 28 44.632 44.632 43.847 0.784 19486 1359 1 5 . 1 1 28 28 GLY H H 28 8.217 8.217 7.823 0.394 19486 1360 1 5 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.370 0.017 19486 1361 1 5 . 1 1 29 29 PRO C C 29 176.069 176.069 176.266 -0.197 19486 1362 1 5 . 1 1 29 29 PRO CA C 29 63.030 63.030 63.267 -0.237 19486 1363 1 5 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.297 -0.070 19486 1364 1 5 . 1 1 30 30 ALA N N 30 124.277 124.277 127.523 -3.246 19486 1365 1 5 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.541 -0.350 19486 1366 1 5 . 1 1 30 30 ALA C C 30 177.466 177.466 176.710 0.756 19486 1367 1 5 . 1 1 30 30 ALA CA C 30 52.423 52.423 51.389 1.034 19486 1368 1 5 . 1 1 30 30 ALA CB C 30 19.185 19.185 18.782 0.403 19486 1369 1 5 . 1 1 30 30 ALA H H 30 8.312 8.312 8.340 -0.028 19486 1370 1 5 . 1 1 31 31 LYS N N 31 120.503 120.503 122.380 -1.877 19486 1371 1 5 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.551 -0.398 19486 1372 1 5 . 1 1 31 31 LYS C C 31 173.444 173.444 175.710 -2.266 19486 1373 1 5 . 1 1 31 31 LYS CA C 31 55.970 55.970 55.178 0.792 19486 1374 1 5 . 1 1 31 31 LYS CB C 31 33.189 33.189 33.912 -0.723 19486 1375 1 5 . 1 1 31 31 LYS H H 31 8.160 8.160 8.392 -0.232 19486 1376 1 5 . 1 1 32 32 HIS N N 32 118.745 118.745 118.520 0.225 19486 1377 1 5 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.554 0.088 19486 1378 1 5 . 1 1 32 32 HIS C C 32 171.199 171.199 174.421 -3.222 19486 1379 1 5 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.185 0.456 19486 1380 1 5 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.012 2.281 19486 1381 1 5 . 1 1 32 32 HIS H H 32 7.888 7.888 8.531 -0.643 19486 1382 1 5 . 1 1 33 33 TYR N N 33 120.158 120.158 121.055 -0.897 19486 1383 1 5 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.729 -0.185 19486 1384 1 5 . 1 1 33 33 TYR C C 33 172.174 172.174 173.680 -1.506 19486 1385 1 5 . 1 1 33 33 TYR CA C 33 57.776 57.776 55.892 1.884 19486 1386 1 5 . 1 1 33 33 TYR CB C 33 39.394 39.394 38.267 1.127 19486 1387 1 5 . 1 1 33 33 TYR H H 33 8.672 8.672 8.400 0.272 19486 1388 1 5 . 1 1 34 34 MET N N 34 123.629 123.629 122.982 0.647 19486 1389 1 5 . 1 1 34 34 MET HA H 34 5.113 5.113 5.365 -0.252 19486 1390 1 5 . 1 1 34 34 MET C C 34 172.661 172.661 174.963 -2.302 19486 1391 1 5 . 1 1 34 34 MET CA C 34 54.285 54.285 53.819 0.466 19486 1392 1 5 . 1 1 34 34 MET CB C 34 35.606 35.606 36.255 -0.649 19486 1393 1 5 . 1 1 34 34 MET H H 34 8.770 8.770 8.161 0.609 19486 1394 1 5 . 1 1 35 35 CYS N N 35 128.648 128.648 127.220 1.428 19486 1395 1 5 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.829 -0.015 19486 1396 1 5 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.763 -0.534 19486 1397 1 5 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.930 2.483 19486 1398 1 5 . 1 1 35 35 CYS H H 35 9.412 9.412 8.660 0.752 19486 1399 1 5 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.353 0.174 19486 1400 1 5 . 1 1 36 36 PRO C C 36 175.359 175.359 177.175 -1.816 19486 1401 1 5 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.016 -0.886 19486 1402 1 5 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.974 0.353 19486 1403 1 5 . 1 1 37 37 ILE N N 37 121.680 121.680 118.220 3.460 19486 1404 1 5 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.993 -0.087 19486 1405 1 5 . 1 1 37 37 ILE C C 37 176.316 176.316 177.515 -1.199 19486 1406 1 5 . 1 1 37 37 ILE CA C 37 63.160 63.160 63.071 0.089 19486 1407 1 5 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.550 -0.217 19486 1408 1 5 . 1 1 37 37 ILE H H 37 8.802 8.802 8.170 0.632 19486 1409 1 5 . 1 1 38 38 CYS N N 38 115.962 115.962 113.320 2.642 19486 1410 1 5 . 1 1 38 38 CYS HA H 38 5.137 5.137 5.000 0.137 19486 1411 1 5 . 1 1 38 38 CYS C C 38 175.994 175.994 175.456 0.538 19486 1412 1 5 . 1 1 38 38 CYS CA C 38 58.260 58.260 56.982 1.278 19486 1413 1 5 . 1 1 38 38 CYS CB C 38 32.806 32.806 28.850 3.956 19486 1414 1 5 . 1 1 38 38 CYS H H 38 8.070 8.070 8.200 -0.130 19486 1415 1 5 . 1 1 39 39 GLY N N 39 113.286 113.286 111.038 2.248 19486 1416 1 5 . 1 1 39 39 GLY C C 39 169.495 169.495 174.548 -5.053 19486 1417 1 5 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.936 0.510 19486 1418 1 5 . 1 1 39 39 GLY H H 39 8.113 8.113 7.876 0.237 19486 1419 1 5 . 1 1 40 40 GLU N N 40 122.500 122.500 119.535 2.965 19486 1420 1 5 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.040 -0.012 19486 1421 1 5 . 1 1 40 40 GLU C C 40 171.486 171.486 176.349 -4.863 19486 1422 1 5 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.765 0.954 19486 1423 1 5 . 1 1 40 40 GLU CB C 40 30.434 30.434 29.415 1.020 19486 1424 1 5 . 1 1 40 40 GLU H H 40 8.119 8.119 8.407 -0.288 19486 1425 1 5 . 1 1 41 41 ARG N N 41 120.904 120.904 123.983 -3.079 19486 1426 1 5 . 1 1 41 41 ARG HA H 41 4.938 4.938 5.169 -0.231 19486 1427 1 5 . 1 1 41 41 ARG C C 41 173.428 173.428 176.206 -2.778 19486 1428 1 5 . 1 1 41 41 ARG CA C 41 55.153 55.153 55.620 -0.467 19486 1429 1 5 . 1 1 41 41 ARG CB C 41 32.810 32.810 31.278 1.532 19486 1430 1 5 . 1 1 41 41 ARG H H 41 8.051 8.051 8.523 -0.471 19486 1431 1 5 . 1 1 42 42 PHE N N 42 119.481 119.481 122.888 -3.407 19486 1432 1 5 . 1 1 42 42 PHE HA H 42 4.688 4.688 5.004 -0.316 19486 1433 1 5 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.622 1.115 19486 1434 1 5 . 1 1 42 42 PHE CB C 42 41.976 41.976 40.218 1.758 19486 1435 1 5 . 1 1 42 42 PHE H H 42 8.856 8.856 8.286 0.570 19486 1436 1 5 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.368 0.421 19486 1437 1 5 . 1 1 43 43 PRO C C 43 174.319 174.319 176.257 -1.938 19486 1438 1 5 . 1 1 43 43 PRO CA C 43 63.666 63.666 64.239 -0.573 19486 1439 1 5 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.248 0.555 19486 1440 1 5 . 1 1 44 44 SER N N 44 110.500 110.500 110.993 -0.493 19486 1441 1 5 . 1 1 44 44 SER HA H 44 4.601 4.601 3.604 0.997 19486 1442 1 5 . 1 1 44 44 SER C C 44 166.956 166.956 172.194 -5.238 19486 1443 1 5 . 1 1 44 44 SER CA C 44 55.700 55.700 56.535 -0.834 19486 1444 1 5 . 1 1 44 44 SER CB C 44 67.018 67.018 65.427 1.591 19486 1445 1 5 . 1 1 44 44 SER H H 44 7.246 7.246 7.522 -0.276 19486 1446 1 5 . 1 1 45 45 LEU N N 45 122.780 122.780 123.785 -1.005 19486 1447 1 5 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.393 -0.888 19486 1448 1 5 . 1 1 45 45 LEU C C 45 181.968 181.968 175.010 6.958 19486 1449 1 5 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.632 2.640 19486 1450 1 5 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.307 0.870 19486 1451 1 5 . 1 1 45 45 LEU H H 45 8.272 8.272 8.243 0.029 19486 1452 1 5 . 1 1 46 46 LEU N N 46 121.552 121.552 123.584 -2.032 19486 1453 1 5 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.569 -0.535 19486 1454 1 5 . 1 1 46 46 LEU C C 46 180.359 180.359 177.067 3.292 19486 1455 1 5 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.956 1.680 19486 1456 1 5 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.191 -1.076 19486 1457 1 5 . 1 1 46 46 LEU H H 46 8.289 8.289 7.704 0.585 19486 1458 1 5 . 1 1 47 47 THR N N 47 109.081 109.081 115.411 -6.330 19486 1459 1 5 . 1 1 47 47 THR HA H 47 3.980 3.980 4.193 -0.213 19486 1460 1 5 . 1 1 47 47 THR C C 47 179.649 179.649 175.878 3.771 19486 1461 1 5 . 1 1 47 47 THR CA C 47 65.057 65.057 64.844 0.213 19486 1462 1 5 . 1 1 47 47 THR CB C 47 69.160 69.160 68.218 0.942 19486 1463 1 5 . 1 1 47 47 THR H H 47 7.456 7.456 7.872 -0.416 19486 1464 1 5 . 1 1 48 48 LEU N N 48 124.194 124.194 122.232 1.962 19486 1465 1 5 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.495 -0.226 19486 1466 1 5 . 1 1 48 48 LEU C C 48 178.335 178.335 177.973 0.362 19486 1467 1 5 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.108 0.274 19486 1468 1 5 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.340 -0.473 19486 1469 1 5 . 1 1 48 48 LEU H H 48 7.582 7.582 7.355 0.227 19486 1470 1 5 . 1 1 49 49 THR N N 49 117.072 117.072 114.767 2.305 19486 1471 1 5 . 1 1 49 49 THR HA H 49 3.645 3.645 3.871 -0.226 19486 1472 1 5 . 1 1 49 49 THR C C 49 175.471 175.471 176.708 -1.237 19486 1473 1 5 . 1 1 49 49 THR CA C 49 67.720 67.720 66.833 0.887 19486 1474 1 5 . 1 1 49 49 THR CB C 49 68.791 68.791 68.573 0.218 19486 1475 1 5 . 1 1 49 49 THR H H 49 8.558 8.558 7.832 0.726 19486 1476 1 5 . 1 1 50 50 GLU N N 50 120.004 120.004 120.972 -0.968 19486 1477 1 5 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.922 0.007 19486 1478 1 5 . 1 1 50 50 GLU C C 50 179.081 179.081 178.719 0.362 19486 1479 1 5 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.253 -0.123 19486 1480 1 5 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.518 0.166 19486 1481 1 5 . 1 1 50 50 GLU H H 50 7.966 7.966 7.758 0.208 19486 1482 1 5 . 1 1 51 51 HIS N N 51 117.288 117.288 119.402 -2.114 19486 1483 1 5 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.275 -0.026 19486 1484 1 5 . 1 1 51 51 HIS C C 51 178.240 178.240 176.575 1.665 19486 1485 1 5 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.907 -0.421 19486 1486 1 5 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.907 -1.843 19486 1487 1 5 . 1 1 51 51 HIS H H 51 7.377 7.377 7.887 -0.510 19486 1488 1 5 . 1 1 52 52 LYS N N 52 120.729 120.729 118.229 2.500 19486 1489 1 5 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.061 -0.383 19486 1490 1 5 . 1 1 52 52 LYS C C 52 178.361 178.361 179.137 -0.776 19486 1491 1 5 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.283 1.370 19486 1492 1 5 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.435 0.025 19486 1493 1 5 . 1 1 52 52 LYS H H 52 8.572 8.572 7.621 0.951 19486 1494 1 5 . 1 1 53 53 VAL N N 53 112.220 112.220 114.708 -2.488 19486 1495 1 5 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.000 0.099 19486 1496 1 5 . 1 1 53 53 VAL C C 53 175.078 175.078 177.561 -2.483 19486 1497 1 5 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.458 -1.018 19486 1498 1 5 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.968 -0.581 19486 1499 1 5 . 1 1 53 53 VAL H H 53 6.940 6.940 7.468 -0.528 19486 1500 1 5 . 1 1 54 54 THR N N 54 110.466 110.466 112.411 -1.945 19486 1501 1 5 . 1 1 54 54 THR HA H 54 4.135 4.135 4.330 -0.195 19486 1502 1 5 . 1 1 54 54 THR C C 54 171.847 171.847 174.780 -2.933 19486 1503 1 5 . 1 1 54 54 THR CA C 54 63.056 63.056 60.807 2.248 19486 1504 1 5 . 1 1 54 54 THR CB C 54 69.595 69.595 68.175 1.420 19486 1505 1 5 . 1 1 54 54 THR H H 54 7.581 7.581 7.580 0.001 19486 1506 1 6 . 1 1 2 2 GLY N N 2 110.487 110.487 109.820 0.667 19486 1507 1 6 . 1 1 2 2 GLY C C 2 169.148 169.148 173.526 -4.378 19486 1508 1 6 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.736 0.343 19486 1509 1 6 . 1 1 2 2 GLY H H 2 8.216 8.216 8.237 -0.021 19486 1510 1 6 . 1 1 3 3 SER N N 3 114.424 114.424 116.042 -1.618 19486 1511 1 6 . 1 1 3 3 SER HA H 3 4.357 4.357 4.524 -0.167 19486 1512 1 6 . 1 1 3 3 SER C C 3 169.812 169.812 173.266 -3.454 19486 1513 1 6 . 1 1 3 3 SER CA C 3 58.382 58.382 57.470 0.912 19486 1514 1 6 . 1 1 3 3 SER CB C 3 64.088 64.088 62.833 1.255 19486 1515 1 6 . 1 1 3 3 SER H H 3 7.996 7.996 8.070 -0.074 19486 1516 1 6 . 1 1 4 4 HIS N N 4 122.476 122.476 125.851 -3.375 19486 1517 1 6 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.559 0.049 19486 1518 1 6 . 1 1 4 4 HIS C C 4 170.682 170.682 173.013 -2.331 19486 1519 1 6 . 1 1 4 4 HIS CA C 4 55.362 55.362 54.532 0.830 19486 1520 1 6 . 1 1 4 4 HIS CB C 4 30.816 30.816 29.227 1.589 19486 1521 1 6 . 1 1 4 4 HIS H H 4 8.315 8.315 7.999 0.316 19486 1522 1 6 . 1 1 5 5 LYS N N 5 125.975 125.975 120.322 5.653 19486 1523 1 6 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.793 -0.038 19486 1524 1 6 . 1 1 5 5 LYS C C 5 172.684 172.684 175.342 -2.658 19486 1525 1 6 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.630 1.033 19486 1526 1 6 . 1 1 5 5 LYS CB C 5 35.248 35.248 34.038 1.210 19486 1527 1 6 . 1 1 5 5 LYS H H 5 8.655 8.655 7.976 0.679 19486 1528 1 6 . 1 1 6 6 CYS N N 6 127.588 127.588 126.048 1.540 19486 1529 1 6 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.619 -0.163 19486 1530 1 6 . 1 1 6 6 CYS C C 6 175.723 175.723 176.075 -0.352 19486 1531 1 6 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.545 1.673 19486 1532 1 6 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.232 3.481 19486 1533 1 6 . 1 1 6 6 CYS H H 6 9.046 9.046 8.846 0.200 19486 1534 1 6 . 1 1 7 7 ASN N N 7 128.450 128.450 127.263 1.187 19486 1535 1 6 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.394 0.213 19486 1536 1 6 . 1 1 7 7 ASN C C 7 172.781 172.781 176.222 -3.441 19486 1537 1 6 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.232 -1.214 19486 1538 1 6 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.029 0.112 19486 1539 1 6 . 1 1 7 7 ASN H H 7 9.075 9.075 8.922 0.153 19486 1540 1 6 . 1 1 8 8 VAL N N 8 123.473 123.473 117.707 5.766 19486 1541 1 6 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.803 0.002 19486 1542 1 6 . 1 1 8 8 VAL C C 8 176.694 176.694 177.343 -0.649 19486 1543 1 6 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.516 0.510 19486 1544 1 6 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.207 1.755 19486 1545 1 6 . 1 1 8 8 VAL H H 8 9.223 9.223 8.457 0.766 19486 1546 1 6 . 1 1 9 9 CYS N N 9 118.379 118.379 116.343 2.036 19486 1547 1 6 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.514 0.645 19486 1548 1 6 . 1 1 9 9 CYS C C 9 173.754 173.754 175.905 -2.151 19486 1549 1 6 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.304 -0.853 19486 1550 1 6 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.369 3.975 19486 1551 1 6 . 1 1 9 9 CYS H H 9 8.457 8.457 8.267 0.190 19486 1552 1 6 . 1 1 10 10 SER N N 10 114.054 114.054 111.745 2.309 19486 1553 1 6 . 1 1 10 10 SER HA H 10 4.260 4.260 4.042 0.218 19486 1554 1 6 . 1 1 10 10 SER C C 10 169.209 169.209 173.659 -4.450 19486 1555 1 6 . 1 1 10 10 SER CA C 10 61.286 61.286 59.974 1.312 19486 1556 1 6 . 1 1 10 10 SER CB C 10 62.173 62.173 61.828 0.345 19486 1557 1 6 . 1 1 10 10 SER H H 10 7.910 7.910 8.750 -0.840 19486 1558 1 6 . 1 1 11 11 ARG N N 11 122.514 122.514 121.448 1.066 19486 1559 1 6 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.561 -0.483 19486 1560 1 6 . 1 1 11 11 ARG C C 11 172.193 172.193 175.567 -3.374 19486 1561 1 6 . 1 1 11 11 ARG CA C 11 57.889 57.889 55.230 2.659 19486 1562 1 6 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.516 0.053 19486 1563 1 6 . 1 1 11 11 ARG H H 11 8.047 8.047 7.868 0.179 19486 1564 1 6 . 1 1 12 12 THR N N 12 111.399 111.399 117.533 -6.134 19486 1565 1 6 . 1 1 12 12 THR HA H 12 4.896 4.896 4.429 0.467 19486 1566 1 6 . 1 1 12 12 THR C C 12 168.910 168.910 174.714 -5.804 19486 1567 1 6 . 1 1 12 12 THR CA C 12 60.396 60.396 61.407 -1.011 19486 1568 1 6 . 1 1 12 12 THR CB C 12 71.239 71.239 70.117 1.122 19486 1569 1 6 . 1 1 12 12 THR H H 12 7.716 7.716 8.126 -0.410 19486 1570 1 6 . 1 1 13 13 PHE N N 13 118.814 118.814 123.143 -4.329 19486 1571 1 6 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.507 -0.067 19486 1572 1 6 . 1 1 13 13 PHE C C 13 173.256 173.256 173.938 -0.682 19486 1573 1 6 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.244 1.335 19486 1574 1 6 . 1 1 13 13 PHE CB C 13 43.109 43.109 38.667 4.442 19486 1575 1 6 . 1 1 13 13 PHE H H 13 8.527 8.527 8.584 -0.057 19486 1576 1 6 . 1 1 14 14 PHE N N 14 119.476 119.476 117.508 1.968 19486 1577 1 6 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.252 0.548 19486 1578 1 6 . 1 1 14 14 PHE C C 14 173.255 173.255 175.474 -2.219 19486 1579 1 6 . 1 1 14 14 PHE CA C 14 59.206 59.206 58.237 0.969 19486 1580 1 6 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.627 -0.191 19486 1581 1 6 . 1 1 14 14 PHE H H 14 8.975 8.975 8.166 0.809 19486 1582 1 6 . 1 1 15 15 SER N N 15 111.316 111.316 116.812 -5.496 19486 1583 1 6 . 1 1 15 15 SER HA H 15 4.573 4.573 4.899 -0.326 19486 1584 1 6 . 1 1 15 15 SER C C 15 169.172 169.172 175.383 -6.211 19486 1585 1 6 . 1 1 15 15 SER CA C 15 55.948 55.948 56.513 -0.565 19486 1586 1 6 . 1 1 15 15 SER CB C 15 67.029 67.029 64.463 2.566 19486 1587 1 6 . 1 1 15 15 SER H H 15 7.813 7.813 7.980 -0.167 19486 1588 1 6 . 1 1 16 16 GLU N N 16 123.055 123.055 126.748 -3.693 19486 1589 1 6 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.287 -0.867 19486 1590 1 6 . 1 1 16 16 GLU C C 16 179.932 179.932 177.972 1.960 19486 1591 1 6 . 1 1 16 16 GLU CA C 16 59.294 59.294 58.819 0.475 19486 1592 1 6 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.929 -0.891 19486 1593 1 6 . 1 1 16 16 GLU H H 16 8.755 8.755 9.114 -0.359 19486 1594 1 6 . 1 1 17 17 ASN N N 17 117.537 117.537 118.490 -0.953 19486 1595 1 6 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.593 -0.308 19486 1596 1 6 . 1 1 17 17 ASN C C 17 177.403 177.403 177.480 -0.077 19486 1597 1 6 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.518 0.926 19486 1598 1 6 . 1 1 17 17 ASN CB C 17 37.954 37.954 38.576 -0.622 19486 1599 1 6 . 1 1 17 17 ASN H H 17 8.548 8.548 8.227 0.321 19486 1600 1 6 . 1 1 18 18 GLY N N 18 108.587 108.587 109.770 -1.183 19486 1601 1 6 . 1 1 18 18 GLY C C 18 175.491 175.491 176.369 -0.878 19486 1602 1 6 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.665 0.024 19486 1603 1 6 . 1 1 18 18 GLY H H 18 8.038 8.038 7.872 0.166 19486 1604 1 6 . 1 1 19 19 LEU N N 19 123.120 123.120 122.818 0.302 19486 1605 1 6 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.144 -0.927 19486 1606 1 6 . 1 1 19 19 LEU C C 19 176.975 176.975 178.845 -1.870 19486 1607 1 6 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.839 -0.065 19486 1608 1 6 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.591 -0.696 19486 1609 1 6 . 1 1 19 19 LEU H H 19 7.240 7.240 7.725 -0.485 19486 1610 1 6 . 1 1 20 20 ARG N N 20 119.506 119.506 116.824 2.682 19486 1611 1 6 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.982 -0.198 19486 1612 1 6 . 1 1 20 20 ARG C C 20 181.705 181.705 178.097 3.608 19486 1613 1 6 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.856 1.527 19486 1614 1 6 . 1 1 20 20 ARG CB C 20 29.927 29.927 30.013 -0.086 19486 1615 1 6 . 1 1 20 20 ARG H H 20 8.426 8.426 7.425 1.001 19486 1616 1 6 . 1 1 21 21 GLU N N 21 117.954 117.954 118.539 -0.585 19486 1617 1 6 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.134 -0.194 19486 1618 1 6 . 1 1 21 21 GLU C C 21 180.973 180.973 178.912 2.061 19486 1619 1 6 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.864 0.291 19486 1620 1 6 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.994 -0.372 19486 1621 1 6 . 1 1 21 21 GLU H H 21 7.961 7.961 7.852 0.109 19486 1622 1 6 . 1 1 22 22 HIS N N 22 119.084 119.084 120.130 -1.046 19486 1623 1 6 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.302 -0.066 19486 1624 1 6 . 1 1 22 22 HIS C C 22 179.182 179.182 177.131 2.051 19486 1625 1 6 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.718 0.142 19486 1626 1 6 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.849 -1.590 19486 1627 1 6 . 1 1 22 22 HIS H H 22 7.434 7.434 8.132 -0.698 19486 1628 1 6 . 1 1 23 23 LEU N N 23 122.153 122.153 119.203 2.950 19486 1629 1 6 . 1 1 23 23 LEU HA H 23 3.765 3.765 3.997 -0.232 19486 1630 1 6 . 1 1 23 23 LEU C C 23 181.265 181.265 177.304 3.961 19486 1631 1 6 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.091 1.496 19486 1632 1 6 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.579 0.261 19486 1633 1 6 . 1 1 23 23 LEU H H 23 8.835 8.835 7.691 1.144 19486 1634 1 6 . 1 1 24 24 GLN N N 24 115.740 115.740 116.204 -0.464 19486 1635 1 6 . 1 1 24 24 GLN HA H 24 4.008 4.008 3.925 0.083 19486 1636 1 6 . 1 1 24 24 GLN C C 24 178.454 178.454 177.958 0.496 19486 1637 1 6 . 1 1 24 24 GLN CA C 24 57.970 57.970 57.978 -0.008 19486 1638 1 6 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.587 -0.156 19486 1639 1 6 . 1 1 24 24 GLN H H 24 7.142 7.142 7.342 -0.200 19486 1640 1 6 . 1 1 25 25 THR N N 25 109.376 109.376 110.368 -0.992 19486 1641 1 6 . 1 1 25 25 THR HA H 25 4.129 4.129 3.904 0.225 19486 1642 1 6 . 1 1 25 25 THR C C 25 173.471 173.471 175.719 -2.248 19486 1643 1 6 . 1 1 25 25 THR CA C 25 63.754 63.754 64.419 -0.665 19486 1644 1 6 . 1 1 25 25 THR CB C 25 69.467 69.467 68.646 0.821 19486 1645 1 6 . 1 1 25 25 THR H H 25 7.801 7.801 7.455 0.346 19486 1646 1 6 . 1 1 26 26 HIS N N 26 118.158 118.158 114.856 3.302 19486 1647 1 6 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.860 0.031 19486 1648 1 6 . 1 1 26 26 HIS C C 26 171.847 171.847 175.450 -3.603 19486 1649 1 6 . 1 1 26 26 HIS CA C 26 55.083 55.083 55.089 -0.006 19486 1650 1 6 . 1 1 26 26 HIS CB C 26 28.686 28.686 29.556 -0.870 19486 1651 1 6 . 1 1 26 26 HIS H H 26 7.095 7.095 7.121 -0.026 19486 1652 1 6 . 1 1 27 27 ARG N N 27 120.083 120.083 121.268 -1.185 19486 1653 1 6 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.425 -0.025 19486 1654 1 6 . 1 1 27 27 ARG C C 27 175.194 175.194 176.696 -1.502 19486 1655 1 6 . 1 1 27 27 ARG CA C 27 56.387 56.387 56.505 -0.118 19486 1656 1 6 . 1 1 27 27 ARG CB C 27 31.260 31.260 31.696 -0.436 19486 1657 1 6 . 1 1 27 27 ARG H H 27 7.630 7.630 7.728 -0.098 19486 1658 1 6 . 1 1 28 28 GLY N N 28 109.773 109.773 108.302 1.471 19486 1659 1 6 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.266 0.366 19486 1660 1 6 . 1 1 28 28 GLY H H 28 8.217 8.217 7.656 0.561 19486 1661 1 6 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.587 -0.200 19486 1662 1 6 . 1 1 29 29 PRO C C 29 176.069 176.069 176.859 -0.790 19486 1663 1 6 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.433 0.597 19486 1664 1 6 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.627 -0.400 19486 1665 1 6 . 1 1 30 30 ALA N N 30 124.277 124.277 125.719 -1.442 19486 1666 1 6 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.234 -0.043 19486 1667 1 6 . 1 1 30 30 ALA C C 30 177.466 177.466 177.392 0.074 19486 1668 1 6 . 1 1 30 30 ALA CA C 30 52.423 52.423 53.306 -0.882 19486 1669 1 6 . 1 1 30 30 ALA CB C 30 19.185 19.185 19.332 -0.147 19486 1670 1 6 . 1 1 30 30 ALA H H 30 8.312 8.312 8.422 -0.110 19486 1671 1 6 . 1 1 31 31 LYS N N 31 120.503 120.503 119.606 0.897 19486 1672 1 6 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.411 -0.258 19486 1673 1 6 . 1 1 31 31 LYS C C 31 173.444 173.444 175.005 -1.561 19486 1674 1 6 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.146 -0.176 19486 1675 1 6 . 1 1 31 31 LYS CB C 31 33.189 33.189 32.436 0.753 19486 1676 1 6 . 1 1 31 31 LYS H H 31 8.160 8.160 7.833 0.327 19486 1677 1 6 . 1 1 32 32 HIS N N 32 118.745 118.745 122.831 -4.086 19486 1678 1 6 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.612 0.030 19486 1679 1 6 . 1 1 32 32 HIS C C 32 171.199 171.199 174.140 -2.941 19486 1680 1 6 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.316 0.325 19486 1681 1 6 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.746 1.547 19486 1682 1 6 . 1 1 32 32 HIS H H 32 7.888 7.888 8.306 -0.418 19486 1683 1 6 . 1 1 33 33 TYR N N 33 120.158 120.158 121.603 -1.445 19486 1684 1 6 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.711 -0.167 19486 1685 1 6 . 1 1 33 33 TYR C C 33 172.174 172.174 173.920 -1.746 19486 1686 1 6 . 1 1 33 33 TYR CA C 33 57.776 57.776 56.113 1.663 19486 1687 1 6 . 1 1 33 33 TYR CB C 33 39.394 39.394 36.977 2.417 19486 1688 1 6 . 1 1 33 33 TYR H H 33 8.672 8.672 7.891 0.781 19486 1689 1 6 . 1 1 34 34 MET N N 34 123.629 123.629 122.336 1.293 19486 1690 1 6 . 1 1 34 34 MET HA H 34 5.113 5.113 4.960 0.153 19486 1691 1 6 . 1 1 34 34 MET C C 34 172.661 172.661 175.550 -2.889 19486 1692 1 6 . 1 1 34 34 MET CA C 34 54.285 54.285 54.185 0.100 19486 1693 1 6 . 1 1 34 34 MET CB C 34 35.606 35.606 35.089 0.517 19486 1694 1 6 . 1 1 34 34 MET H H 34 8.770 8.770 8.079 0.691 19486 1695 1 6 . 1 1 35 35 CYS N N 35 128.648 128.648 127.333 1.315 19486 1696 1 6 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.779 0.035 19486 1697 1 6 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.623 -0.394 19486 1698 1 6 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.520 2.893 19486 1699 1 6 . 1 1 35 35 CYS H H 35 9.412 9.412 8.421 0.991 19486 1700 1 6 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.250 0.277 19486 1701 1 6 . 1 1 36 36 PRO C C 36 175.359 175.359 177.041 -1.682 19486 1702 1 6 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.232 -1.102 19486 1703 1 6 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.931 0.396 19486 1704 1 6 . 1 1 37 37 ILE N N 37 121.680 121.680 117.509 4.171 19486 1705 1 6 . 1 1 37 37 ILE HA H 37 3.906 3.906 4.038 -0.132 19486 1706 1 6 . 1 1 37 37 ILE C C 37 176.316 176.316 177.533 -1.217 19486 1707 1 6 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.904 0.256 19486 1708 1 6 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.701 -0.368 19486 1709 1 6 . 1 1 37 37 ILE H H 37 8.802 8.802 7.966 0.836 19486 1710 1 6 . 1 1 38 38 CYS N N 38 115.962 115.962 113.877 2.085 19486 1711 1 6 . 1 1 38 38 CYS HA H 38 5.137 5.137 5.005 0.132 19486 1712 1 6 . 1 1 38 38 CYS C C 38 175.994 175.994 175.616 0.378 19486 1713 1 6 . 1 1 38 38 CYS CA C 38 58.260 58.260 56.891 1.369 19486 1714 1 6 . 1 1 38 38 CYS CB C 38 32.806 32.806 28.438 4.368 19486 1715 1 6 . 1 1 38 38 CYS H H 38 8.070 8.070 8.202 -0.132 19486 1716 1 6 . 1 1 39 39 GLY N N 39 113.286 113.286 111.129 2.157 19486 1717 1 6 . 1 1 39 39 GLY C C 39 169.495 169.495 174.354 -4.859 19486 1718 1 6 . 1 1 39 39 GLY CA C 39 46.446 46.446 46.158 0.288 19486 1719 1 6 . 1 1 39 39 GLY H H 39 8.113 8.113 7.967 0.146 19486 1720 1 6 . 1 1 40 40 GLU N N 40 122.500 122.500 119.125 3.375 19486 1721 1 6 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.124 -0.096 19486 1722 1 6 . 1 1 40 40 GLU C C 40 171.486 171.486 176.612 -5.126 19486 1723 1 6 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.391 1.328 19486 1724 1 6 . 1 1 40 40 GLU CB C 40 30.434 30.434 29.435 0.999 19486 1725 1 6 . 1 1 40 40 GLU H H 40 8.119 8.119 8.164 -0.045 19486 1726 1 6 . 1 1 41 41 ARG N N 41 120.904 120.904 124.288 -3.384 19486 1727 1 6 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.928 0.010 19486 1728 1 6 . 1 1 41 41 ARG C C 41 173.428 173.428 175.168 -1.740 19486 1729 1 6 . 1 1 41 41 ARG CA C 41 55.153 55.153 54.727 0.426 19486 1730 1 6 . 1 1 41 41 ARG CB C 41 32.810 32.810 30.809 2.001 19486 1731 1 6 . 1 1 41 41 ARG H H 41 8.051 8.051 8.444 -0.393 19486 1732 1 6 . 1 1 42 42 PHE N N 42 119.481 119.481 123.812 -4.331 19486 1733 1 6 . 1 1 42 42 PHE HA H 42 4.688 4.688 5.013 -0.325 19486 1734 1 6 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.089 1.649 19486 1735 1 6 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.176 0.800 19486 1736 1 6 . 1 1 42 42 PHE H H 42 8.856 8.856 8.710 0.146 19486 1737 1 6 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.393 0.396 19486 1738 1 6 . 1 1 43 43 PRO C C 43 174.319 174.319 176.463 -2.144 19486 1739 1 6 . 1 1 43 43 PRO CA C 43 63.666 63.666 64.224 -0.558 19486 1740 1 6 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.162 0.641 19486 1741 1 6 . 1 1 44 44 SER N N 44 110.500 110.500 112.006 -1.506 19486 1742 1 6 . 1 1 44 44 SER HA H 44 4.601 4.601 4.649 -0.048 19486 1743 1 6 . 1 1 44 44 SER C C 44 166.956 166.956 172.436 -5.480 19486 1744 1 6 . 1 1 44 44 SER CA C 44 55.700 55.700 56.788 -1.089 19486 1745 1 6 . 1 1 44 44 SER CB C 44 67.018 67.018 65.879 1.139 19486 1746 1 6 . 1 1 44 44 SER H H 44 7.246 7.246 7.905 -0.659 19486 1747 1 6 . 1 1 45 45 LEU N N 45 122.780 122.780 122.534 0.246 19486 1748 1 6 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.113 -0.608 19486 1749 1 6 . 1 1 45 45 LEU C C 45 181.968 181.968 174.965 7.003 19486 1750 1 6 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.595 2.677 19486 1751 1 6 . 1 1 45 45 LEU CB C 45 41.177 41.177 39.914 1.263 19486 1752 1 6 . 1 1 45 45 LEU H H 45 8.272 8.272 8.326 -0.054 19486 1753 1 6 . 1 1 46 46 LEU N N 46 121.552 121.552 121.299 0.253 19486 1754 1 6 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.443 -0.409 19486 1755 1 6 . 1 1 46 46 LEU C C 46 180.359 180.359 177.152 3.207 19486 1756 1 6 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.528 2.108 19486 1757 1 6 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.358 -1.243 19486 1758 1 6 . 1 1 46 46 LEU H H 46 8.289 8.289 7.871 0.418 19486 1759 1 6 . 1 1 47 47 THR N N 47 109.081 109.081 116.314 -7.233 19486 1760 1 6 . 1 1 47 47 THR HA H 47 3.980 3.980 3.898 0.082 19486 1761 1 6 . 1 1 47 47 THR C C 47 179.649 179.649 176.265 3.384 19486 1762 1 6 . 1 1 47 47 THR CA C 47 65.057 65.057 66.216 -1.159 19486 1763 1 6 . 1 1 47 47 THR CB C 47 69.160 69.160 68.773 0.387 19486 1764 1 6 . 1 1 47 47 THR H H 47 7.456 7.456 7.752 -0.296 19486 1765 1 6 . 1 1 48 48 LEU N N 48 124.194 124.194 121.939 2.255 19486 1766 1 6 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.585 -0.316 19486 1767 1 6 . 1 1 48 48 LEU C C 48 178.335 178.335 178.379 -0.044 19486 1768 1 6 . 1 1 48 48 LEU CA C 48 58.381 58.381 57.983 0.399 19486 1769 1 6 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.269 -0.402 19486 1770 1 6 . 1 1 48 48 LEU H H 48 7.582 7.582 7.671 -0.089 19486 1771 1 6 . 1 1 49 49 THR N N 49 117.072 117.072 114.691 2.381 19486 1772 1 6 . 1 1 49 49 THR HA H 49 3.645 3.645 3.901 -0.256 19486 1773 1 6 . 1 1 49 49 THR C C 49 175.471 175.471 176.711 -1.240 19486 1774 1 6 . 1 1 49 49 THR CA C 49 67.720 67.720 66.741 0.979 19486 1775 1 6 . 1 1 49 49 THR CB C 49 68.791 68.791 68.135 0.657 19486 1776 1 6 . 1 1 49 49 THR H H 49 8.558 8.558 7.942 0.616 19486 1777 1 6 . 1 1 50 50 GLU N N 50 120.004 120.004 120.894 -0.890 19486 1778 1 6 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.949 -0.020 19486 1779 1 6 . 1 1 50 50 GLU C C 50 179.081 179.081 178.922 0.159 19486 1780 1 6 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.183 -0.053 19486 1781 1 6 . 1 1 50 50 GLU CB C 50 29.684 29.684 28.776 0.908 19486 1782 1 6 . 1 1 50 50 GLU H H 50 7.966 7.966 8.028 -0.062 19486 1783 1 6 . 1 1 51 51 HIS N N 51 117.288 117.288 118.953 -1.665 19486 1784 1 6 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.208 0.041 19486 1785 1 6 . 1 1 51 51 HIS C C 51 178.240 178.240 176.503 1.737 19486 1786 1 6 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.784 -0.298 19486 1787 1 6 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.849 -1.785 19486 1788 1 6 . 1 1 51 51 HIS H H 51 7.377 7.377 7.445 -0.068 19486 1789 1 6 . 1 1 52 52 LYS N N 52 120.729 120.729 118.626 2.103 19486 1790 1 6 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.133 -0.455 19486 1791 1 6 . 1 1 52 52 LYS C C 52 178.361 178.361 179.279 -0.918 19486 1792 1 6 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.168 1.485 19486 1793 1 6 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.560 -0.100 19486 1794 1 6 . 1 1 52 52 LYS H H 52 8.572 8.572 7.687 0.885 19486 1795 1 6 . 1 1 53 53 VAL N N 53 112.220 112.220 116.330 -4.110 19486 1796 1 6 . 1 1 53 53 VAL HA H 53 4.099 4.099 3.982 0.117 19486 1797 1 6 . 1 1 53 53 VAL C C 53 175.078 175.078 177.185 -2.107 19486 1798 1 6 . 1 1 53 53 VAL CA C 53 63.440 63.440 65.457 -2.017 19486 1799 1 6 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.537 -0.150 19486 1800 1 6 . 1 1 53 53 VAL H H 53 6.940 6.940 8.101 -1.161 19486 1801 1 6 . 1 1 54 54 THR N N 54 110.466 110.466 111.511 -1.045 19486 1802 1 6 . 1 1 54 54 THR HA H 54 4.135 4.135 4.359 -0.224 19486 1803 1 6 . 1 1 54 54 THR C C 54 171.847 171.847 174.961 -3.114 19486 1804 1 6 . 1 1 54 54 THR CA C 54 63.056 63.056 61.160 1.896 19486 1805 1 6 . 1 1 54 54 THR CB C 54 69.595 69.595 68.265 1.330 19486 1806 1 6 . 1 1 54 54 THR H H 54 7.581 7.581 7.521 0.060 19486 1807 1 7 . 1 1 2 2 GLY N N 2 110.487 110.487 112.963 -2.476 19486 1808 1 7 . 1 1 2 2 GLY C C 2 169.148 169.148 172.584 -3.436 19486 1809 1 7 . 1 1 2 2 GLY CA C 2 45.079 45.079 45.810 -0.731 19486 1810 1 7 . 1 1 2 2 GLY H H 2 8.216 8.216 8.611 -0.395 19486 1811 1 7 . 1 1 3 3 SER N N 3 114.424 114.424 115.464 -1.040 19486 1812 1 7 . 1 1 3 3 SER HA H 3 4.357 4.357 4.971 -0.614 19486 1813 1 7 . 1 1 3 3 SER C C 3 169.812 169.812 173.062 -3.250 19486 1814 1 7 . 1 1 3 3 SER CA C 3 58.382 58.382 57.828 0.555 19486 1815 1 7 . 1 1 3 3 SER CB C 3 64.088 64.088 64.836 -0.748 19486 1816 1 7 . 1 1 3 3 SER H H 3 7.996 7.996 8.059 -0.063 19486 1817 1 7 . 1 1 4 4 HIS N N 4 122.476 122.476 123.778 -1.302 19486 1818 1 7 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.752 -0.144 19486 1819 1 7 . 1 1 4 4 HIS C C 4 170.682 170.682 173.051 -2.369 19486 1820 1 7 . 1 1 4 4 HIS CA C 4 55.362 55.362 55.383 -0.021 19486 1821 1 7 . 1 1 4 4 HIS CB C 4 30.816 30.816 33.680 -2.864 19486 1822 1 7 . 1 1 4 4 HIS H H 4 8.315 8.315 8.489 -0.174 19486 1823 1 7 . 1 1 5 5 LYS N N 5 125.975 125.975 125.322 0.653 19486 1824 1 7 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.565 0.190 19486 1825 1 7 . 1 1 5 5 LYS C C 5 172.684 172.684 176.430 -3.746 19486 1826 1 7 . 1 1 5 5 LYS CA C 5 55.663 55.663 55.489 0.174 19486 1827 1 7 . 1 1 5 5 LYS CB C 5 35.248 35.248 33.008 2.240 19486 1828 1 7 . 1 1 5 5 LYS H H 5 8.655 8.655 7.952 0.703 19486 1829 1 7 . 1 1 6 6 CYS N N 6 127.588 127.588 128.850 -1.262 19486 1830 1 7 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.626 -0.170 19486 1831 1 7 . 1 1 6 6 CYS C C 6 175.723 175.723 175.339 0.384 19486 1832 1 7 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.758 1.460 19486 1833 1 7 . 1 1 6 6 CYS CB C 6 29.713 29.713 25.767 3.946 19486 1834 1 7 . 1 1 6 6 CYS H H 6 9.046 9.046 8.777 0.269 19486 1835 1 7 . 1 1 7 7 ASN N N 7 128.450 128.450 126.767 1.683 19486 1836 1 7 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.361 0.247 19486 1837 1 7 . 1 1 7 7 ASN C C 7 172.781 172.781 175.999 -3.218 19486 1838 1 7 . 1 1 7 7 ASN CA C 7 55.018 55.018 55.987 -0.969 19486 1839 1 7 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.188 -0.047 19486 1840 1 7 . 1 1 7 7 ASN H H 7 9.075 9.075 8.763 0.312 19486 1841 1 7 . 1 1 8 8 VAL N N 8 123.473 123.473 119.038 4.435 19486 1842 1 7 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.655 0.150 19486 1843 1 7 . 1 1 8 8 VAL C C 8 176.694 176.694 177.240 -0.546 19486 1844 1 7 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.802 0.224 19486 1845 1 7 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.808 1.154 19486 1846 1 7 . 1 1 8 8 VAL H H 8 9.223 9.223 8.260 0.963 19486 1847 1 7 . 1 1 9 9 CYS N N 9 118.379 118.379 115.578 2.801 19486 1848 1 7 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.537 0.622 19486 1849 1 7 . 1 1 9 9 CYS C C 9 173.754 173.754 175.246 -1.492 19486 1850 1 7 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.388 -0.936 19486 1851 1 7 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.100 4.244 19486 1852 1 7 . 1 1 9 9 CYS H H 9 8.457 8.457 8.062 0.395 19486 1853 1 7 . 1 1 10 10 SER N N 10 114.054 114.054 111.239 2.815 19486 1854 1 7 . 1 1 10 10 SER HA H 10 4.260 4.260 4.064 0.196 19486 1855 1 7 . 1 1 10 10 SER C C 10 169.209 169.209 173.638 -4.429 19486 1856 1 7 . 1 1 10 10 SER CA C 10 61.286 61.286 59.993 1.293 19486 1857 1 7 . 1 1 10 10 SER CB C 10 62.173 62.173 62.255 -0.082 19486 1858 1 7 . 1 1 10 10 SER H H 10 7.910 7.910 8.388 -0.478 19486 1859 1 7 . 1 1 11 11 ARG N N 11 122.514 122.514 119.560 2.954 19486 1860 1 7 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.695 -0.617 19486 1861 1 7 . 1 1 11 11 ARG C C 11 172.193 172.193 174.670 -2.477 19486 1862 1 7 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.080 3.809 19486 1863 1 7 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.909 -0.340 19486 1864 1 7 . 1 1 11 11 ARG H H 11 8.047 8.047 7.734 0.313 19486 1865 1 7 . 1 1 12 12 THR N N 12 111.399 111.399 111.952 -0.553 19486 1866 1 7 . 1 1 12 12 THR HA H 12 4.896 4.896 4.671 0.225 19486 1867 1 7 . 1 1 12 12 THR C C 12 168.910 168.910 172.864 -3.954 19486 1868 1 7 . 1 1 12 12 THR CA C 12 60.396 60.396 60.542 -0.146 19486 1869 1 7 . 1 1 12 12 THR CB C 12 71.239 71.239 70.614 0.625 19486 1870 1 7 . 1 1 12 12 THR H H 12 7.716 7.716 7.956 -0.240 19486 1871 1 7 . 1 1 13 13 PHE N N 13 118.814 118.814 122.940 -4.126 19486 1872 1 7 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.673 -0.233 19486 1873 1 7 . 1 1 13 13 PHE C C 13 173.256 173.256 175.644 -2.388 19486 1874 1 7 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.433 1.146 19486 1875 1 7 . 1 1 13 13 PHE CB C 13 43.109 43.109 41.883 1.226 19486 1876 1 7 . 1 1 13 13 PHE H H 13 8.527 8.527 8.845 -0.318 19486 1877 1 7 . 1 1 14 14 PHE N N 14 119.476 119.476 120.945 -1.469 19486 1878 1 7 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.526 0.274 19486 1879 1 7 . 1 1 14 14 PHE C C 14 173.255 173.255 175.737 -2.482 19486 1880 1 7 . 1 1 14 14 PHE CA C 14 59.206 59.206 59.514 -0.308 19486 1881 1 7 . 1 1 14 14 PHE CB C 14 39.436 39.436 38.954 0.482 19486 1882 1 7 . 1 1 14 14 PHE H H 14 8.975 8.975 8.290 0.685 19486 1883 1 7 . 1 1 15 15 SER N N 15 111.316 111.316 112.300 -0.984 19486 1884 1 7 . 1 1 15 15 SER HA H 15 4.573 4.573 4.850 -0.277 19486 1885 1 7 . 1 1 15 15 SER C C 15 169.172 169.172 175.075 -5.903 19486 1886 1 7 . 1 1 15 15 SER CA C 15 55.948 55.948 55.578 0.370 19486 1887 1 7 . 1 1 15 15 SER CB C 15 67.029 67.029 64.536 2.493 19486 1888 1 7 . 1 1 15 15 SER H H 15 7.813 7.813 8.058 -0.245 19486 1889 1 7 . 1 1 16 16 GLU N N 16 123.055 123.055 127.659 -4.604 19486 1890 1 7 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.060 -0.640 19486 1891 1 7 . 1 1 16 16 GLU C C 16 179.932 179.932 177.691 2.241 19486 1892 1 7 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.772 -0.478 19486 1893 1 7 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.157 -0.119 19486 1894 1 7 . 1 1 16 16 GLU H H 16 8.755 8.755 9.145 -0.390 19486 1895 1 7 . 1 1 17 17 ASN N N 17 117.537 117.537 118.583 -1.046 19486 1896 1 7 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.565 -0.280 19486 1897 1 7 . 1 1 17 17 ASN C C 17 177.403 177.403 177.669 -0.266 19486 1898 1 7 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.769 0.675 19486 1899 1 7 . 1 1 17 17 ASN CB C 17 37.954 37.954 38.502 -0.548 19486 1900 1 7 . 1 1 17 17 ASN H H 17 8.548 8.548 7.996 0.552 19486 1901 1 7 . 1 1 18 18 GLY N N 18 108.587 108.587 109.101 -0.514 19486 1902 1 7 . 1 1 18 18 GLY C C 18 175.491 175.491 175.900 -0.409 19486 1903 1 7 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.066 0.623 19486 1904 1 7 . 1 1 18 18 GLY H H 18 8.038 8.038 7.490 0.548 19486 1905 1 7 . 1 1 19 19 LEU N N 19 123.120 123.120 123.395 -0.275 19486 1906 1 7 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.200 -0.983 19486 1907 1 7 . 1 1 19 19 LEU C C 19 176.975 176.975 178.576 -1.601 19486 1908 1 7 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.643 0.131 19486 1909 1 7 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.593 -0.697 19486 1910 1 7 . 1 1 19 19 LEU H H 19 7.240 7.240 8.085 -0.845 19486 1911 1 7 . 1 1 20 20 ARG N N 20 119.506 119.506 118.240 1.266 19486 1912 1 7 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.897 -0.113 19486 1913 1 7 . 1 1 20 20 ARG C C 20 181.705 181.705 178.522 3.183 19486 1914 1 7 . 1 1 20 20 ARG CA C 20 60.383 60.383 59.387 0.996 19486 1915 1 7 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.473 0.455 19486 1916 1 7 . 1 1 20 20 ARG H H 20 8.426 8.426 8.096 0.330 19486 1917 1 7 . 1 1 21 21 GLU N N 21 117.954 117.954 118.048 -0.094 19486 1918 1 7 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.078 -0.138 19486 1919 1 7 . 1 1 21 21 GLU C C 21 180.973 180.973 178.172 2.801 19486 1920 1 7 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.563 0.592 19486 1921 1 7 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.552 0.070 19486 1922 1 7 . 1 1 21 21 GLU H H 21 7.961 7.961 7.790 0.171 19486 1923 1 7 . 1 1 22 22 HIS N N 22 119.084 119.084 118.556 0.528 19486 1924 1 7 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.373 -0.137 19486 1925 1 7 . 1 1 22 22 HIS C C 22 179.182 179.182 176.526 2.656 19486 1926 1 7 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.838 0.022 19486 1927 1 7 . 1 1 22 22 HIS CB C 22 28.259 28.259 30.351 -2.092 19486 1928 1 7 . 1 1 22 22 HIS H H 22 7.434 7.434 7.797 -0.363 19486 1929 1 7 . 1 1 23 23 LEU N N 23 122.153 122.153 120.208 1.945 19486 1930 1 7 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.189 -0.424 19486 1931 1 7 . 1 1 23 23 LEU C C 23 181.265 181.265 179.064 2.201 19486 1932 1 7 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.201 1.386 19486 1933 1 7 . 1 1 23 23 LEU CB C 23 41.840 41.840 42.035 -0.195 19486 1934 1 7 . 1 1 23 23 LEU H H 23 8.835 8.835 8.273 0.562 19486 1935 1 7 . 1 1 24 24 GLN N N 24 115.740 115.740 117.925 -2.185 19486 1936 1 7 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.013 -0.005 19486 1937 1 7 . 1 1 24 24 GLN C C 24 178.454 178.454 177.807 0.647 19486 1938 1 7 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.237 -0.267 19486 1939 1 7 . 1 1 24 24 GLN CB C 24 28.431 28.431 27.842 0.589 19486 1940 1 7 . 1 1 24 24 GLN H H 24 7.142 7.142 7.948 -0.806 19486 1941 1 7 . 1 1 25 25 THR N N 25 109.376 109.376 111.305 -1.929 19486 1942 1 7 . 1 1 25 25 THR HA H 25 4.129 4.129 4.000 0.129 19486 1943 1 7 . 1 1 25 25 THR C C 25 173.471 173.471 175.825 -2.354 19486 1944 1 7 . 1 1 25 25 THR CA C 25 63.754 63.754 64.700 -0.946 19486 1945 1 7 . 1 1 25 25 THR CB C 25 69.467 69.467 68.559 0.908 19486 1946 1 7 . 1 1 25 25 THR H H 25 7.801 7.801 7.620 0.181 19486 1947 1 7 . 1 1 26 26 HIS N N 26 118.158 118.158 118.266 -0.108 19486 1948 1 7 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.688 0.203 19486 1949 1 7 . 1 1 26 26 HIS C C 26 171.847 171.847 175.881 -4.034 19486 1950 1 7 . 1 1 26 26 HIS CA C 26 55.083 55.083 58.189 -3.106 19486 1951 1 7 . 1 1 26 26 HIS CB C 26 28.686 28.686 30.423 -1.737 19486 1952 1 7 . 1 1 26 26 HIS H H 26 7.095 7.095 7.543 -0.448 19486 1953 1 7 . 1 1 27 27 ARG N N 27 120.083 120.083 120.776 -0.693 19486 1954 1 7 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.186 0.214 19486 1955 1 7 . 1 1 27 27 ARG C C 27 175.194 175.194 177.494 -2.300 19486 1956 1 7 . 1 1 27 27 ARG CA C 27 56.387 56.387 57.439 -1.052 19486 1957 1 7 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.859 0.401 19486 1958 1 7 . 1 1 27 27 ARG H H 27 7.630 7.630 7.424 0.206 19486 1959 1 7 . 1 1 28 28 GLY N N 28 109.773 109.773 109.053 0.720 19486 1960 1 7 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.012 0.620 19486 1961 1 7 . 1 1 28 28 GLY H H 28 8.217 8.217 7.789 0.428 19486 1962 1 7 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.326 0.061 19486 1963 1 7 . 1 1 29 29 PRO C C 29 176.069 176.069 175.977 0.092 19486 1964 1 7 . 1 1 29 29 PRO CA C 29 63.030 63.030 63.031 -0.001 19486 1965 1 7 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.126 0.101 19486 1966 1 7 . 1 1 30 30 ALA N N 30 124.277 124.277 128.503 -4.226 19486 1967 1 7 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.364 -0.173 19486 1968 1 7 . 1 1 30 30 ALA C C 30 177.466 177.466 176.997 0.469 19486 1969 1 7 . 1 1 30 30 ALA CA C 30 52.423 52.423 52.097 0.326 19486 1970 1 7 . 1 1 30 30 ALA CB C 30 19.185 19.185 18.742 0.443 19486 1971 1 7 . 1 1 30 30 ALA H H 30 8.312 8.312 8.333 -0.021 19486 1972 1 7 . 1 1 31 31 LYS N N 31 120.503 120.503 121.757 -1.254 19486 1973 1 7 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.705 -0.552 19486 1974 1 7 . 1 1 31 31 LYS C C 31 173.444 173.444 174.794 -1.350 19486 1975 1 7 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.134 -0.164 19486 1976 1 7 . 1 1 31 31 LYS CB C 31 33.189 33.189 34.625 -1.436 19486 1977 1 7 . 1 1 31 31 LYS H H 31 8.160 8.160 8.565 -0.405 19486 1978 1 7 . 1 1 32 32 HIS N N 32 118.745 118.745 117.696 1.049 19486 1979 1 7 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.531 0.111 19486 1980 1 7 . 1 1 32 32 HIS C C 32 171.199 171.199 173.143 -1.944 19486 1981 1 7 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.204 0.437 19486 1982 1 7 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.541 1.752 19486 1983 1 7 . 1 1 32 32 HIS H H 32 7.888 7.888 8.590 -0.702 19486 1984 1 7 . 1 1 33 33 TYR N N 33 120.158 120.158 117.547 2.611 19486 1985 1 7 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.870 -0.326 19486 1986 1 7 . 1 1 33 33 TYR C C 33 172.174 172.174 173.984 -1.810 19486 1987 1 7 . 1 1 33 33 TYR CA C 33 57.776 57.776 57.077 0.699 19486 1988 1 7 . 1 1 33 33 TYR CB C 33 39.394 39.394 39.484 -0.090 19486 1989 1 7 . 1 1 33 33 TYR H H 33 8.672 8.672 7.808 0.864 19486 1990 1 7 . 1 1 34 34 MET N N 34 123.629 123.629 123.708 -0.079 19486 1991 1 7 . 1 1 34 34 MET HA H 34 5.113 5.113 4.740 0.373 19486 1992 1 7 . 1 1 34 34 MET C C 34 172.661 172.661 174.949 -2.288 19486 1993 1 7 . 1 1 34 34 MET CA C 34 54.285 54.285 54.694 -0.409 19486 1994 1 7 . 1 1 34 34 MET CB C 34 35.606 35.606 35.353 0.253 19486 1995 1 7 . 1 1 34 34 MET H H 34 8.770 8.770 8.056 0.714 19486 1996 1 7 . 1 1 35 35 CYS N N 35 128.648 128.648 128.675 -0.027 19486 1997 1 7 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.884 -0.070 19486 1998 1 7 . 1 1 35 35 CYS CA C 35 57.229 57.229 56.552 0.677 19486 1999 1 7 . 1 1 35 35 CYS CB C 35 30.413 30.413 26.993 3.420 19486 2000 1 7 . 1 1 35 35 CYS H H 35 9.412 9.412 8.873 0.539 19486 2001 1 7 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.115 0.412 19486 2002 1 7 . 1 1 36 36 PRO C C 36 175.359 175.359 176.967 -1.608 19486 2003 1 7 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.755 -1.625 19486 2004 1 7 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.779 0.548 19486 2005 1 7 . 1 1 37 37 ILE N N 37 121.680 121.680 115.938 5.742 19486 2006 1 7 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.995 -0.089 19486 2007 1 7 . 1 1 37 37 ILE C C 37 176.316 176.316 177.340 -1.024 19486 2008 1 7 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.733 0.428 19486 2009 1 7 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.135 0.198 19486 2010 1 7 . 1 1 37 37 ILE H H 37 8.802 8.802 8.500 0.302 19486 2011 1 7 . 1 1 38 38 CYS N N 38 115.962 115.962 116.429 -0.467 19486 2012 1 7 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.855 0.282 19486 2013 1 7 . 1 1 38 38 CYS C C 38 175.994 175.994 176.259 -0.265 19486 2014 1 7 . 1 1 38 38 CYS CA C 38 58.260 58.260 58.618 -0.358 19486 2015 1 7 . 1 1 38 38 CYS CB C 38 32.806 32.806 30.606 2.200 19486 2016 1 7 . 1 1 38 38 CYS H H 38 8.070 8.070 8.204 -0.134 19486 2017 1 7 . 1 1 39 39 GLY N N 39 113.286 113.286 112.135 1.151 19486 2018 1 7 . 1 1 39 39 GLY C C 39 169.495 169.495 174.651 -5.156 19486 2019 1 7 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.437 1.009 19486 2020 1 7 . 1 1 39 39 GLY H H 39 8.113 8.113 8.202 -0.089 19486 2021 1 7 . 1 1 40 40 GLU N N 40 122.500 122.500 120.893 1.607 19486 2022 1 7 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.262 -0.234 19486 2023 1 7 . 1 1 40 40 GLU C C 40 171.486 171.486 176.506 -5.020 19486 2024 1 7 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.450 1.269 19486 2025 1 7 . 1 1 40 40 GLU CB C 40 30.434 30.434 29.655 0.779 19486 2026 1 7 . 1 1 40 40 GLU H H 40 8.119 8.119 7.894 0.225 19486 2027 1 7 . 1 1 41 41 ARG N N 41 120.904 120.904 122.582 -1.678 19486 2028 1 7 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.456 0.482 19486 2029 1 7 . 1 1 41 41 ARG C C 41 173.428 173.428 174.520 -1.092 19486 2030 1 7 . 1 1 41 41 ARG CA C 41 55.153 55.153 56.400 -1.246 19486 2031 1 7 . 1 1 41 41 ARG CB C 41 32.810 32.810 30.675 2.135 19486 2032 1 7 . 1 1 41 41 ARG H H 41 8.051 8.051 8.302 -0.251 19486 2033 1 7 . 1 1 42 42 PHE N N 42 119.481 119.481 122.558 -3.077 19486 2034 1 7 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.712 -0.024 19486 2035 1 7 . 1 1 42 42 PHE CA C 42 56.737 56.737 54.522 2.215 19486 2036 1 7 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.865 0.111 19486 2037 1 7 . 1 1 42 42 PHE H H 42 8.856 8.856 7.825 1.031 19486 2038 1 7 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.160 0.629 19486 2039 1 7 . 1 1 43 43 PRO C C 43 174.319 174.319 176.052 -1.733 19486 2040 1 7 . 1 1 43 43 PRO CA C 43 63.666 63.666 64.039 -0.373 19486 2041 1 7 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.023 0.781 19486 2042 1 7 . 1 1 44 44 SER N N 44 110.500 110.500 111.081 -0.581 19486 2043 1 7 . 1 1 44 44 SER HA H 44 4.601 4.601 4.555 0.046 19486 2044 1 7 . 1 1 44 44 SER C C 44 166.956 166.956 172.164 -5.208 19486 2045 1 7 . 1 1 44 44 SER CA C 44 55.700 55.700 57.314 -1.614 19486 2046 1 7 . 1 1 44 44 SER CB C 44 67.018 67.018 65.317 1.701 19486 2047 1 7 . 1 1 44 44 SER H H 44 7.246 7.246 7.400 -0.154 19486 2048 1 7 . 1 1 45 45 LEU N N 45 122.780 122.780 124.094 -1.314 19486 2049 1 7 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.610 -1.105 19486 2050 1 7 . 1 1 45 45 LEU C C 45 181.968 181.968 175.295 6.673 19486 2051 1 7 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.223 3.049 19486 2052 1 7 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.252 0.925 19486 2053 1 7 . 1 1 45 45 LEU H H 45 8.272 8.272 8.664 -0.392 19486 2054 1 7 . 1 1 46 46 LEU N N 46 121.552 121.552 121.396 0.156 19486 2055 1 7 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.660 -0.626 19486 2056 1 7 . 1 1 46 46 LEU C C 46 180.359 180.359 176.686 3.673 19486 2057 1 7 . 1 1 46 46 LEU CA C 46 58.636 58.636 57.332 1.304 19486 2058 1 7 . 1 1 46 46 LEU CB C 46 42.115 42.115 42.231 -0.116 19486 2059 1 7 . 1 1 46 46 LEU H H 46 8.289 8.289 7.777 0.512 19486 2060 1 7 . 1 1 47 47 THR N N 47 109.081 109.081 117.298 -8.217 19486 2061 1 7 . 1 1 47 47 THR HA H 47 3.980 3.980 3.890 0.090 19486 2062 1 7 . 1 1 47 47 THR C C 47 179.649 179.649 176.242 3.407 19486 2063 1 7 . 1 1 47 47 THR CA C 47 65.057 65.057 66.499 -1.442 19486 2064 1 7 . 1 1 47 47 THR CB C 47 69.160 69.160 68.145 1.014 19486 2065 1 7 . 1 1 47 47 THR H H 47 7.456 7.456 8.113 -0.657 19486 2066 1 7 . 1 1 48 48 LEU N N 48 124.194 124.194 121.541 2.653 19486 2067 1 7 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.858 -0.589 19486 2068 1 7 . 1 1 48 48 LEU C C 48 178.335 178.335 178.035 0.300 19486 2069 1 7 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.715 -0.334 19486 2070 1 7 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.242 -0.375 19486 2071 1 7 . 1 1 48 48 LEU H H 48 7.582 7.582 7.372 0.210 19486 2072 1 7 . 1 1 49 49 THR N N 49 117.072 117.072 114.131 2.941 19486 2073 1 7 . 1 1 49 49 THR HA H 49 3.645 3.645 3.975 -0.330 19486 2074 1 7 . 1 1 49 49 THR C C 49 175.471 175.471 176.679 -1.208 19486 2075 1 7 . 1 1 49 49 THR CA C 49 67.720 67.720 66.551 1.169 19486 2076 1 7 . 1 1 49 49 THR CB C 49 68.791 68.791 68.215 0.576 19486 2077 1 7 . 1 1 49 49 THR H H 49 8.558 8.558 8.060 0.498 19486 2078 1 7 . 1 1 50 50 GLU N N 50 120.004 120.004 120.157 -0.153 19486 2079 1 7 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.982 -0.053 19486 2080 1 7 . 1 1 50 50 GLU C C 50 179.081 179.081 178.875 0.206 19486 2081 1 7 . 1 1 50 50 GLU CA C 50 59.130 59.130 58.962 0.168 19486 2082 1 7 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.142 0.542 19486 2083 1 7 . 1 1 50 50 GLU H H 50 7.966 7.966 8.119 -0.153 19486 2084 1 7 . 1 1 51 51 HIS N N 51 117.288 117.288 118.641 -1.353 19486 2085 1 7 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.275 -0.026 19486 2086 1 7 . 1 1 51 51 HIS C C 51 178.240 178.240 176.761 1.479 19486 2087 1 7 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.907 -0.421 19486 2088 1 7 . 1 1 51 51 HIS CB C 51 28.064 28.064 30.089 -2.025 19486 2089 1 7 . 1 1 51 51 HIS H H 51 7.377 7.377 7.487 -0.110 19486 2090 1 7 . 1 1 52 52 LYS N N 52 120.729 120.729 118.749 1.980 19486 2091 1 7 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.024 -0.346 19486 2092 1 7 . 1 1 52 52 LYS C C 52 178.361 178.361 179.235 -0.874 19486 2093 1 7 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.090 1.563 19486 2094 1 7 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.149 0.311 19486 2095 1 7 . 1 1 52 52 LYS H H 52 8.572 8.572 8.105 0.467 19486 2096 1 7 . 1 1 53 53 VAL N N 53 112.220 112.220 115.980 -3.760 19486 2097 1 7 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.051 0.048 19486 2098 1 7 . 1 1 53 53 VAL C C 53 175.078 175.078 177.117 -2.039 19486 2099 1 7 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.714 -1.274 19486 2100 1 7 . 1 1 53 53 VAL CB C 53 31.387 31.387 30.916 0.471 19486 2101 1 7 . 1 1 53 53 VAL H H 53 6.940 6.940 7.535 -0.595 19486 2102 1 7 . 1 1 54 54 THR N N 54 110.466 110.466 112.112 -1.646 19486 2103 1 7 . 1 1 54 54 THR HA H 54 4.135 4.135 4.162 -0.027 19486 2104 1 7 . 1 1 54 54 THR C C 54 171.847 171.847 174.952 -3.105 19486 2105 1 7 . 1 1 54 54 THR CA C 54 63.056 63.056 62.681 0.375 19486 2106 1 7 . 1 1 54 54 THR CB C 54 69.595 69.595 68.639 0.956 19486 2107 1 7 . 1 1 54 54 THR H H 54 7.581 7.581 7.636 -0.055 19486 2108 1 8 . 1 1 2 2 GLY N N 2 110.487 110.487 109.278 1.209 19486 2109 1 8 . 1 1 2 2 GLY C C 2 169.148 169.148 174.057 -4.909 19486 2110 1 8 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.675 0.404 19486 2111 1 8 . 1 1 2 2 GLY H H 2 8.216 8.216 8.544 -0.328 19486 2112 1 8 . 1 1 3 3 SER N N 3 114.424 114.424 117.400 -2.976 19486 2113 1 8 . 1 1 3 3 SER HA H 3 4.357 4.357 4.639 -0.282 19486 2114 1 8 . 1 1 3 3 SER C C 3 169.812 169.812 173.473 -3.661 19486 2115 1 8 . 1 1 3 3 SER CA C 3 58.382 58.382 57.984 0.397 19486 2116 1 8 . 1 1 3 3 SER CB C 3 64.088 64.088 64.483 -0.395 19486 2117 1 8 . 1 1 3 3 SER H H 3 7.996 7.996 8.260 -0.264 19486 2118 1 8 . 1 1 4 4 HIS N N 4 122.476 122.476 125.303 -2.827 19486 2119 1 8 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.426 0.182 19486 2120 1 8 . 1 1 4 4 HIS C C 4 170.682 170.682 173.473 -2.791 19486 2121 1 8 . 1 1 4 4 HIS CA C 4 55.362 55.362 55.256 0.106 19486 2122 1 8 . 1 1 4 4 HIS CB C 4 30.816 30.816 27.921 2.895 19486 2123 1 8 . 1 1 4 4 HIS H H 4 8.315 8.315 8.274 0.041 19486 2124 1 8 . 1 1 5 5 LYS N N 5 125.975 125.975 122.408 3.567 19486 2125 1 8 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.695 0.060 19486 2126 1 8 . 1 1 5 5 LYS C C 5 172.684 172.684 175.605 -2.921 19486 2127 1 8 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.868 0.794 19486 2128 1 8 . 1 1 5 5 LYS CB C 5 35.248 35.248 34.622 0.626 19486 2129 1 8 . 1 1 5 5 LYS H H 5 8.655 8.655 7.534 1.121 19486 2130 1 8 . 1 1 6 6 CYS N N 6 127.588 127.588 128.386 -0.798 19486 2131 1 8 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.487 -0.031 19486 2132 1 8 . 1 1 6 6 CYS C C 6 175.723 175.723 175.719 0.004 19486 2133 1 8 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.060 2.158 19486 2134 1 8 . 1 1 6 6 CYS CB C 6 29.713 29.713 25.684 4.029 19486 2135 1 8 . 1 1 6 6 CYS H H 6 9.046 9.046 8.769 0.277 19486 2136 1 8 . 1 1 7 7 ASN N N 7 128.450 128.450 127.160 1.290 19486 2137 1 8 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.361 0.247 19486 2138 1 8 . 1 1 7 7 ASN C C 7 172.781 172.781 175.982 -3.201 19486 2139 1 8 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.016 -0.998 19486 2140 1 8 . 1 1 7 7 ASN CB C 7 38.141 38.141 37.904 0.237 19486 2141 1 8 . 1 1 7 7 ASN H H 7 9.075 9.075 8.670 0.405 19486 2142 1 8 . 1 1 8 8 VAL N N 8 123.473 123.473 118.115 5.358 19486 2143 1 8 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.748 0.057 19486 2144 1 8 . 1 1 8 8 VAL C C 8 176.694 176.694 176.983 -0.289 19486 2145 1 8 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.981 0.045 19486 2146 1 8 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.499 1.463 19486 2147 1 8 . 1 1 8 8 VAL H H 8 9.223 9.223 8.075 1.148 19486 2148 1 8 . 1 1 9 9 CYS N N 9 118.379 118.379 115.440 2.939 19486 2149 1 8 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.625 0.534 19486 2150 1 8 . 1 1 9 9 CYS C C 9 173.754 173.754 175.067 -1.313 19486 2151 1 8 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.560 -1.108 19486 2152 1 8 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.008 4.336 19486 2153 1 8 . 1 1 9 9 CYS H H 9 8.457 8.457 7.828 0.629 19486 2154 1 8 . 1 1 10 10 SER N N 10 114.054 114.054 112.074 1.980 19486 2155 1 8 . 1 1 10 10 SER HA H 10 4.260 4.260 3.967 0.293 19486 2156 1 8 . 1 1 10 10 SER C C 10 169.209 169.209 174.080 -4.871 19486 2157 1 8 . 1 1 10 10 SER CA C 10 61.286 61.286 60.029 1.257 19486 2158 1 8 . 1 1 10 10 SER CB C 10 62.173 62.173 61.699 0.474 19486 2159 1 8 . 1 1 10 10 SER H H 10 7.910 7.910 8.557 -0.647 19486 2160 1 8 . 1 1 11 11 ARG N N 11 122.514 122.514 119.714 2.800 19486 2161 1 8 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.714 -0.636 19486 2162 1 8 . 1 1 11 11 ARG C C 11 172.193 172.193 175.865 -3.672 19486 2163 1 8 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.378 3.511 19486 2164 1 8 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.526 0.043 19486 2165 1 8 . 1 1 11 11 ARG H H 11 8.047 8.047 7.547 0.500 19486 2166 1 8 . 1 1 12 12 THR N N 12 111.399 111.399 113.792 -2.393 19486 2167 1 8 . 1 1 12 12 THR HA H 12 4.896 4.896 4.569 0.327 19486 2168 1 8 . 1 1 12 12 THR C C 12 168.910 168.910 175.038 -6.128 19486 2169 1 8 . 1 1 12 12 THR CA C 12 60.396 60.396 61.637 -1.241 19486 2170 1 8 . 1 1 12 12 THR CB C 12 71.239 71.239 70.060 1.179 19486 2171 1 8 . 1 1 12 12 THR H H 12 7.716 7.716 8.266 -0.550 19486 2172 1 8 . 1 1 13 13 PHE N N 13 118.814 118.814 124.257 -5.443 19486 2173 1 8 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.777 -0.337 19486 2174 1 8 . 1 1 13 13 PHE C C 13 173.256 173.256 174.928 -1.672 19486 2175 1 8 . 1 1 13 13 PHE CA C 13 57.579 57.579 55.694 1.885 19486 2176 1 8 . 1 1 13 13 PHE CB C 13 43.109 43.109 38.825 4.284 19486 2177 1 8 . 1 1 13 13 PHE H H 13 8.527 8.527 8.518 0.009 19486 2178 1 8 . 1 1 14 14 PHE N N 14 119.476 119.476 119.449 0.027 19486 2179 1 8 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.648 0.152 19486 2180 1 8 . 1 1 14 14 PHE C C 14 173.255 173.255 174.805 -1.550 19486 2181 1 8 . 1 1 14 14 PHE CA C 14 59.206 59.206 58.632 0.574 19486 2182 1 8 . 1 1 14 14 PHE CB C 14 39.436 39.436 40.156 -0.720 19486 2183 1 8 . 1 1 14 14 PHE H H 14 8.975 8.975 8.726 0.249 19486 2184 1 8 . 1 1 15 15 SER N N 15 111.316 111.316 115.285 -3.969 19486 2185 1 8 . 1 1 15 15 SER HA H 15 4.573 4.573 4.490 0.083 19486 2186 1 8 . 1 1 15 15 SER C C 15 169.172 169.172 175.369 -6.197 19486 2187 1 8 . 1 1 15 15 SER CA C 15 55.948 55.948 56.268 -0.320 19486 2188 1 8 . 1 1 15 15 SER CB C 15 67.029 67.029 66.237 0.792 19486 2189 1 8 . 1 1 15 15 SER H H 15 7.813 7.813 7.823 -0.010 19486 2190 1 8 . 1 1 16 16 GLU N N 16 123.055 123.055 123.079 -0.024 19486 2191 1 8 . 1 1 16 16 GLU HA H 16 3.420 3.420 3.976 -0.556 19486 2192 1 8 . 1 1 16 16 GLU C C 16 179.932 179.932 177.602 2.330 19486 2193 1 8 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.616 -0.322 19486 2194 1 8 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.434 -0.396 19486 2195 1 8 . 1 1 16 16 GLU H H 16 8.755 8.755 9.072 -0.317 19486 2196 1 8 . 1 1 17 17 ASN N N 17 117.537 117.537 117.248 0.289 19486 2197 1 8 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.642 -0.357 19486 2198 1 8 . 1 1 17 17 ASN C C 17 177.403 177.403 177.506 -0.103 19486 2199 1 8 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.419 1.026 19486 2200 1 8 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.492 0.462 19486 2201 1 8 . 1 1 17 17 ASN H H 17 8.548 8.548 8.638 -0.090 19486 2202 1 8 . 1 1 18 18 GLY N N 18 108.587 108.587 109.939 -1.352 19486 2203 1 8 . 1 1 18 18 GLY C C 18 175.491 175.491 176.208 -0.717 19486 2204 1 8 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.902 -0.213 19486 2205 1 8 . 1 1 18 18 GLY H H 18 8.038 8.038 7.780 0.258 19486 2206 1 8 . 1 1 19 19 LEU N N 19 123.120 123.120 123.306 -0.186 19486 2207 1 8 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.209 -0.992 19486 2208 1 8 . 1 1 19 19 LEU C C 19 176.975 176.975 178.950 -1.975 19486 2209 1 8 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.755 0.019 19486 2210 1 8 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.567 -0.672 19486 2211 1 8 . 1 1 19 19 LEU H H 19 7.240 7.240 8.090 -0.850 19486 2212 1 8 . 1 1 20 20 ARG N N 20 119.506 119.506 118.082 1.424 19486 2213 1 8 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.987 -0.203 19486 2214 1 8 . 1 1 20 20 ARG C C 20 181.705 181.705 178.695 3.010 19486 2215 1 8 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.744 1.639 19486 2216 1 8 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.389 0.538 19486 2217 1 8 . 1 1 20 20 ARG H H 20 8.426 8.426 7.631 0.795 19486 2218 1 8 . 1 1 21 21 GLU N N 21 117.954 117.954 119.090 -1.136 19486 2219 1 8 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.087 -0.147 19486 2220 1 8 . 1 1 21 21 GLU C C 21 180.973 180.973 178.266 2.707 19486 2221 1 8 . 1 1 21 21 GLU CA C 21 59.155 59.155 59.201 -0.046 19486 2222 1 8 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.691 -0.069 19486 2223 1 8 . 1 1 21 21 GLU H H 21 7.961 7.961 8.095 -0.134 19486 2224 1 8 . 1 1 22 22 HIS N N 22 119.084 119.084 117.989 1.095 19486 2225 1 8 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.409 -0.173 19486 2226 1 8 . 1 1 22 22 HIS C C 22 179.182 179.182 178.023 1.159 19486 2227 1 8 . 1 1 22 22 HIS CA C 22 58.860 58.860 57.910 0.950 19486 2228 1 8 . 1 1 22 22 HIS CB C 22 28.259 28.259 30.543 -2.284 19486 2229 1 8 . 1 1 22 22 HIS H H 22 7.434 7.434 7.983 -0.549 19486 2230 1 8 . 1 1 23 23 LEU N N 23 122.153 122.153 121.509 0.644 19486 2231 1 8 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.166 -0.401 19486 2232 1 8 . 1 1 23 23 LEU C C 23 181.265 181.265 178.991 2.274 19486 2233 1 8 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.650 0.937 19486 2234 1 8 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.900 -0.060 19486 2235 1 8 . 1 1 23 23 LEU H H 23 8.835 8.835 8.271 0.564 19486 2236 1 8 . 1 1 24 24 GLN N N 24 115.740 115.740 115.944 -0.204 19486 2237 1 8 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.142 -0.134 19486 2238 1 8 . 1 1 24 24 GLN C C 24 178.454 178.454 177.580 0.874 19486 2239 1 8 . 1 1 24 24 GLN CA C 24 57.970 57.970 57.652 0.318 19486 2240 1 8 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.239 0.192 19486 2241 1 8 . 1 1 24 24 GLN H H 24 7.142 7.142 7.829 -0.687 19486 2242 1 8 . 1 1 25 25 THR N N 25 109.376 109.376 112.692 -3.316 19486 2243 1 8 . 1 1 25 25 THR HA H 25 4.129 4.129 4.253 -0.124 19486 2244 1 8 . 1 1 25 25 THR C C 25 173.471 173.471 175.302 -1.831 19486 2245 1 8 . 1 1 25 25 THR CA C 25 63.754 63.754 63.488 0.266 19486 2246 1 8 . 1 1 25 25 THR CB C 25 69.467 69.467 68.676 0.791 19486 2247 1 8 . 1 1 25 25 THR H H 25 7.801 7.801 7.680 0.121 19486 2248 1 8 . 1 1 26 26 HIS N N 26 118.158 118.158 117.789 0.369 19486 2249 1 8 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.840 0.051 19486 2250 1 8 . 1 1 26 26 HIS C C 26 171.847 171.847 176.599 -4.752 19486 2251 1 8 . 1 1 26 26 HIS CA C 26 55.083 55.083 56.712 -1.629 19486 2252 1 8 . 1 1 26 26 HIS CB C 26 28.686 28.686 30.557 -1.871 19486 2253 1 8 . 1 1 26 26 HIS H H 26 7.095 7.095 7.509 -0.414 19486 2254 1 8 . 1 1 27 27 ARG N N 27 120.083 120.083 122.984 -2.901 19486 2255 1 8 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.188 0.212 19486 2256 1 8 . 1 1 27 27 ARG C C 27 175.194 175.194 175.548 -0.354 19486 2257 1 8 . 1 1 27 27 ARG CA C 27 56.387 56.387 56.186 0.201 19486 2258 1 8 . 1 1 27 27 ARG CB C 27 31.260 31.260 28.576 2.684 19486 2259 1 8 . 1 1 27 27 ARG H H 27 7.630 7.630 8.082 -0.452 19486 2260 1 8 . 1 1 28 28 GLY N N 28 109.773 109.773 108.160 1.613 19486 2261 1 8 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.372 0.260 19486 2262 1 8 . 1 1 28 28 GLY H H 28 8.217 8.217 7.630 0.587 19486 2263 1 8 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.589 -0.202 19486 2264 1 8 . 1 1 29 29 PRO C C 29 176.069 176.069 176.747 -0.678 19486 2265 1 8 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.565 0.465 19486 2266 1 8 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.706 -0.479 19486 2267 1 8 . 1 1 30 30 ALA N N 30 124.277 124.277 123.782 0.495 19486 2268 1 8 . 1 1 30 30 ALA HA H 30 4.191 4.191 3.966 0.225 19486 2269 1 8 . 1 1 30 30 ALA C C 30 177.466 177.466 176.811 0.655 19486 2270 1 8 . 1 1 30 30 ALA CA C 30 52.423 52.423 52.402 0.021 19486 2271 1 8 . 1 1 30 30 ALA CB C 30 19.185 19.185 17.762 1.423 19486 2272 1 8 . 1 1 30 30 ALA H H 30 8.312 8.312 8.364 -0.052 19486 2273 1 8 . 1 1 31 31 LYS N N 31 120.503 120.503 121.088 -0.585 19486 2274 1 8 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.547 -0.394 19486 2275 1 8 . 1 1 31 31 LYS C C 31 173.444 173.444 175.611 -2.167 19486 2276 1 8 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.473 -0.503 19486 2277 1 8 . 1 1 31 31 LYS CB C 31 33.189 33.189 34.164 -0.975 19486 2278 1 8 . 1 1 31 31 LYS H H 31 8.160 8.160 8.036 0.124 19486 2279 1 8 . 1 1 32 32 HIS N N 32 118.745 118.745 117.962 0.783 19486 2280 1 8 . 1 1 32 32 HIS HA H 32 4.642 4.642 5.071 -0.429 19486 2281 1 8 . 1 1 32 32 HIS C C 32 171.199 171.199 174.215 -3.016 19486 2282 1 8 . 1 1 32 32 HIS CA C 32 55.641 55.641 53.943 1.698 19486 2283 1 8 . 1 1 32 32 HIS CB C 32 32.293 32.293 28.098 4.195 19486 2284 1 8 . 1 1 32 32 HIS H H 32 7.888 7.888 7.715 0.173 19486 2285 1 8 . 1 1 33 33 TYR N N 33 120.158 120.158 123.153 -2.995 19486 2286 1 8 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.454 0.090 19486 2287 1 8 . 1 1 33 33 TYR C C 33 172.174 172.174 174.830 -2.656 19486 2288 1 8 . 1 1 33 33 TYR CA C 33 57.776 57.776 58.378 -0.602 19486 2289 1 8 . 1 1 33 33 TYR CB C 33 39.394 39.394 38.696 0.699 19486 2290 1 8 . 1 1 33 33 TYR H H 33 8.672 8.672 8.045 0.627 19486 2291 1 8 . 1 1 34 34 MET N N 34 123.629 123.629 125.322 -1.693 19486 2292 1 8 . 1 1 34 34 MET HA H 34 5.113 5.113 5.173 -0.060 19486 2293 1 8 . 1 1 34 34 MET C C 34 172.661 172.661 175.883 -3.222 19486 2294 1 8 . 1 1 34 34 MET CA C 34 54.285 54.285 53.531 0.754 19486 2295 1 8 . 1 1 34 34 MET CB C 34 35.606 35.606 35.026 0.580 19486 2296 1 8 . 1 1 34 34 MET H H 34 8.770 8.770 8.345 0.425 19486 2297 1 8 . 1 1 35 35 CYS N N 35 128.648 128.648 128.695 -0.047 19486 2298 1 8 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.725 0.089 19486 2299 1 8 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.087 0.142 19486 2300 1 8 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.045 3.368 19486 2301 1 8 . 1 1 35 35 CYS H H 35 9.412 9.412 8.651 0.761 19486 2302 1 8 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.317 0.210 19486 2303 1 8 . 1 1 36 36 PRO C C 36 175.359 175.359 176.782 -1.423 19486 2304 1 8 . 1 1 36 36 PRO CA C 36 64.130 64.130 64.865 -0.735 19486 2305 1 8 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.853 0.474 19486 2306 1 8 . 1 1 37 37 ILE N N 37 121.680 121.680 117.734 3.946 19486 2307 1 8 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.853 0.053 19486 2308 1 8 . 1 1 37 37 ILE C C 37 176.316 176.316 177.173 -0.857 19486 2309 1 8 . 1 1 37 37 ILE CA C 37 63.160 63.160 63.078 0.082 19486 2310 1 8 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.246 0.087 19486 2311 1 8 . 1 1 37 37 ILE H H 37 8.802 8.802 7.804 0.998 19486 2312 1 8 . 1 1 38 38 CYS N N 38 115.962 115.962 115.572 0.390 19486 2313 1 8 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.806 0.331 19486 2314 1 8 . 1 1 38 38 CYS C C 38 175.994 175.994 175.562 0.432 19486 2315 1 8 . 1 1 38 38 CYS CA C 38 58.260 58.260 58.370 -0.111 19486 2316 1 8 . 1 1 38 38 CYS CB C 38 32.806 32.806 30.412 2.394 19486 2317 1 8 . 1 1 38 38 CYS H H 38 8.070 8.070 8.110 -0.040 19486 2318 1 8 . 1 1 39 39 GLY N N 39 113.286 113.286 110.698 2.588 19486 2319 1 8 . 1 1 39 39 GLY C C 39 169.495 169.495 173.643 -4.148 19486 2320 1 8 . 1 1 39 39 GLY CA C 39 46.446 46.446 44.844 1.602 19486 2321 1 8 . 1 1 39 39 GLY H H 39 8.113 8.113 8.328 -0.215 19486 2322 1 8 . 1 1 40 40 GLU N N 40 122.500 122.500 120.653 1.847 19486 2323 1 8 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.082 -0.054 19486 2324 1 8 . 1 1 40 40 GLU C C 40 171.486 171.486 175.882 -4.396 19486 2325 1 8 . 1 1 40 40 GLU CA C 40 57.719 57.719 55.083 2.636 19486 2326 1 8 . 1 1 40 40 GLU CB C 40 30.434 30.434 29.731 0.703 19486 2327 1 8 . 1 1 40 40 GLU H H 40 8.119 8.119 8.297 -0.178 19486 2328 1 8 . 1 1 41 41 ARG N N 41 120.904 120.904 126.111 -5.207 19486 2329 1 8 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.387 0.551 19486 2330 1 8 . 1 1 41 41 ARG C C 41 173.428 173.428 174.988 -1.560 19486 2331 1 8 . 1 1 41 41 ARG CA C 41 55.153 55.153 55.484 -0.331 19486 2332 1 8 . 1 1 41 41 ARG CB C 41 32.810 32.810 30.275 2.535 19486 2333 1 8 . 1 1 41 41 ARG H H 41 8.051 8.051 8.545 -0.494 19486 2334 1 8 . 1 1 42 42 PHE N N 42 119.481 119.481 126.678 -7.197 19486 2335 1 8 . 1 1 42 42 PHE HA H 42 4.688 4.688 5.059 -0.371 19486 2336 1 8 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.182 1.555 19486 2337 1 8 . 1 1 42 42 PHE CB C 42 41.976 41.976 40.456 1.520 19486 2338 1 8 . 1 1 42 42 PHE H H 42 8.856 8.856 8.447 0.409 19486 2339 1 8 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.450 0.339 19486 2340 1 8 . 1 1 43 43 PRO C C 43 174.319 174.319 176.515 -2.196 19486 2341 1 8 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.693 -0.027 19486 2342 1 8 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.195 0.608 19486 2343 1 8 . 1 1 44 44 SER N N 44 110.500 110.500 112.248 -1.748 19486 2344 1 8 . 1 1 44 44 SER HA H 44 4.601 4.601 4.723 -0.122 19486 2345 1 8 . 1 1 44 44 SER C C 44 166.956 166.956 173.648 -6.692 19486 2346 1 8 . 1 1 44 44 SER CA C 44 55.700 55.700 56.924 -1.224 19486 2347 1 8 . 1 1 44 44 SER CB C 44 67.018 67.018 65.490 1.528 19486 2348 1 8 . 1 1 44 44 SER H H 44 7.246 7.246 7.545 -0.299 19486 2349 1 8 . 1 1 45 45 LEU N N 45 122.780 122.780 123.294 -0.514 19486 2350 1 8 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.095 -0.590 19486 2351 1 8 . 1 1 45 45 LEU C C 45 181.968 181.968 174.899 7.069 19486 2352 1 8 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.801 2.471 19486 2353 1 8 . 1 1 45 45 LEU CB C 45 41.177 41.177 38.685 2.492 19486 2354 1 8 . 1 1 45 45 LEU H H 45 8.272 8.272 8.619 -0.347 19486 2355 1 8 . 1 1 46 46 LEU N N 46 121.552 121.552 120.699 0.853 19486 2356 1 8 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.431 -0.397 19486 2357 1 8 . 1 1 46 46 LEU C C 46 180.359 180.359 177.695 2.664 19486 2358 1 8 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.028 2.608 19486 2359 1 8 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.402 -1.287 19486 2360 1 8 . 1 1 46 46 LEU H H 46 8.289 8.289 7.711 0.578 19486 2361 1 8 . 1 1 47 47 THR N N 47 109.081 109.081 114.511 -5.430 19486 2362 1 8 . 1 1 47 47 THR HA H 47 3.980 3.980 4.192 -0.212 19486 2363 1 8 . 1 1 47 47 THR C C 47 179.649 179.649 176.039 3.610 19486 2364 1 8 . 1 1 47 47 THR CA C 47 65.057 65.057 64.874 0.183 19486 2365 1 8 . 1 1 47 47 THR CB C 47 69.160 69.160 69.100 0.060 19486 2366 1 8 . 1 1 47 47 THR H H 47 7.456 7.456 7.745 -0.289 19486 2367 1 8 . 1 1 48 48 LEU N N 48 124.194 124.194 122.239 1.955 19486 2368 1 8 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.493 -0.224 19486 2369 1 8 . 1 1 48 48 LEU C C 48 178.335 178.335 178.207 0.128 19486 2370 1 8 . 1 1 48 48 LEU CA C 48 58.381 58.381 57.955 0.426 19486 2371 1 8 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.435 -0.569 19486 2372 1 8 . 1 1 48 48 LEU H H 48 7.582 7.582 7.173 0.409 19486 2373 1 8 . 1 1 49 49 THR N N 49 117.072 117.072 114.464 2.608 19486 2374 1 8 . 1 1 49 49 THR HA H 49 3.645 3.645 3.809 -0.164 19486 2375 1 8 . 1 1 49 49 THR C C 49 175.471 175.471 176.722 -1.251 19486 2376 1 8 . 1 1 49 49 THR CA C 49 67.720 67.720 66.962 0.758 19486 2377 1 8 . 1 1 49 49 THR CB C 49 68.791 68.791 68.419 0.372 19486 2378 1 8 . 1 1 49 49 THR H H 49 8.558 8.558 8.092 0.466 19486 2379 1 8 . 1 1 50 50 GLU N N 50 120.004 120.004 120.751 -0.747 19486 2380 1 8 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.915 0.014 19486 2381 1 8 . 1 1 50 50 GLU C C 50 179.081 179.081 178.728 0.353 19486 2382 1 8 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.200 -0.070 19486 2383 1 8 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.487 0.197 19486 2384 1 8 . 1 1 50 50 GLU H H 50 7.966 7.966 7.486 0.480 19486 2385 1 8 . 1 1 51 51 HIS N N 51 117.288 117.288 119.307 -2.019 19486 2386 1 8 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.346 -0.097 19486 2387 1 8 . 1 1 51 51 HIS C C 51 178.240 178.240 176.732 1.508 19486 2388 1 8 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.898 -0.412 19486 2389 1 8 . 1 1 51 51 HIS CB C 51 28.064 28.064 30.180 -2.116 19486 2390 1 8 . 1 1 51 51 HIS H H 51 7.377 7.377 7.557 -0.180 19486 2391 1 8 . 1 1 52 52 LYS N N 52 120.729 120.729 117.018 3.711 19486 2392 1 8 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.142 -0.464 19486 2393 1 8 . 1 1 52 52 LYS C C 52 178.361 178.361 179.287 -0.926 19486 2394 1 8 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.088 1.565 19486 2395 1 8 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.447 0.013 19486 2396 1 8 . 1 1 52 52 LYS H H 52 8.572 8.572 7.896 0.676 19486 2397 1 8 . 1 1 53 53 VAL N N 53 112.220 112.220 115.634 -3.414 19486 2398 1 8 . 1 1 53 53 VAL HA H 53 4.099 4.099 3.943 0.156 19486 2399 1 8 . 1 1 53 53 VAL C C 53 175.078 175.078 176.755 -1.677 19486 2400 1 8 . 1 1 53 53 VAL CA C 53 63.440 63.440 65.049 -1.609 19486 2401 1 8 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.569 -0.182 19486 2402 1 8 . 1 1 53 53 VAL H H 53 6.940 6.940 7.699 -0.759 19486 2403 1 8 . 1 1 54 54 THR N N 54 110.466 110.466 109.288 1.178 19486 2404 1 8 . 1 1 54 54 THR HA H 54 4.135 4.135 4.382 -0.247 19486 2405 1 8 . 1 1 54 54 THR C C 54 171.847 171.847 174.748 -2.901 19486 2406 1 8 . 1 1 54 54 THR CA C 54 63.056 63.056 61.138 1.918 19486 2407 1 8 . 1 1 54 54 THR CB C 54 69.595 69.595 68.597 0.998 19486 2408 1 8 . 1 1 54 54 THR H H 54 7.581 7.581 7.689 -0.108 19486 2409 1 9 . 1 1 2 2 GLY N N 2 110.487 110.487 108.856 1.631 19486 2410 1 9 . 1 1 2 2 GLY C C 2 169.148 169.148 171.796 -2.648 19486 2411 1 9 . 1 1 2 2 GLY CA C 2 45.079 45.079 45.194 -0.115 19486 2412 1 9 . 1 1 2 2 GLY H H 2 8.216 8.216 8.209 0.007 19486 2413 1 9 . 1 1 3 3 SER N N 3 114.424 114.424 116.423 -1.999 19486 2414 1 9 . 1 1 3 3 SER HA H 3 4.357 4.357 4.881 -0.524 19486 2415 1 9 . 1 1 3 3 SER C C 3 169.812 169.812 172.970 -3.158 19486 2416 1 9 . 1 1 3 3 SER CA C 3 58.382 58.382 57.956 0.426 19486 2417 1 9 . 1 1 3 3 SER CB C 3 64.088 64.088 63.927 0.161 19486 2418 1 9 . 1 1 3 3 SER H H 3 7.996 7.996 8.060 -0.064 19486 2419 1 9 . 1 1 4 4 HIS N N 4 122.476 122.476 125.979 -3.503 19486 2420 1 9 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.805 -0.197 19486 2421 1 9 . 1 1 4 4 HIS C C 4 170.682 170.682 172.836 -2.154 19486 2422 1 9 . 1 1 4 4 HIS CA C 4 55.362 55.362 55.528 -0.166 19486 2423 1 9 . 1 1 4 4 HIS CB C 4 30.816 30.816 33.531 -2.715 19486 2424 1 9 . 1 1 4 4 HIS H H 4 8.315 8.315 8.529 -0.214 19486 2425 1 9 . 1 1 5 5 LYS N N 5 125.975 125.975 123.341 2.634 19486 2426 1 9 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.581 0.174 19486 2427 1 9 . 1 1 5 5 LYS C C 5 172.684 172.684 176.315 -3.631 19486 2428 1 9 . 1 1 5 5 LYS CA C 5 55.663 55.663 55.778 -0.115 19486 2429 1 9 . 1 1 5 5 LYS CB C 5 35.248 35.248 33.308 1.940 19486 2430 1 9 . 1 1 5 5 LYS H H 5 8.655 8.655 7.732 0.923 19486 2431 1 9 . 1 1 6 6 CYS N N 6 127.588 127.588 127.119 0.469 19486 2432 1 9 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.707 -0.251 19486 2433 1 9 . 1 1 6 6 CYS C C 6 175.723 175.723 175.824 -0.101 19486 2434 1 9 . 1 1 6 6 CYS CA C 6 60.218 60.218 57.698 2.520 19486 2435 1 9 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.736 2.977 19486 2436 1 9 . 1 1 6 6 CYS H H 6 9.046 9.046 8.799 0.247 19486 2437 1 9 . 1 1 7 7 ASN N N 7 128.450 128.450 126.731 1.719 19486 2438 1 9 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.373 0.235 19486 2439 1 9 . 1 1 7 7 ASN C C 7 172.781 172.781 176.277 -3.496 19486 2440 1 9 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.000 -0.982 19486 2441 1 9 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.504 -0.363 19486 2442 1 9 . 1 1 7 7 ASN H H 7 9.075 9.075 9.125 -0.050 19486 2443 1 9 . 1 1 8 8 VAL N N 8 123.473 123.473 118.798 4.675 19486 2444 1 9 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.732 0.073 19486 2445 1 9 . 1 1 8 8 VAL C C 8 176.694 176.694 177.077 -0.383 19486 2446 1 9 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.842 0.184 19486 2447 1 9 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.655 1.307 19486 2448 1 9 . 1 1 8 8 VAL H H 8 9.223 9.223 8.227 0.996 19486 2449 1 9 . 1 1 9 9 CYS N N 9 118.379 118.379 115.496 2.883 19486 2450 1 9 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.614 0.545 19486 2451 1 9 . 1 1 9 9 CYS C C 9 173.754 173.754 175.000 -1.246 19486 2452 1 9 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.126 -0.674 19486 2453 1 9 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.219 4.125 19486 2454 1 9 . 1 1 9 9 CYS H H 9 8.457 8.457 7.918 0.539 19486 2455 1 9 . 1 1 10 10 SER N N 10 114.054 114.054 111.521 2.533 19486 2456 1 9 . 1 1 10 10 SER HA H 10 4.260 4.260 4.025 0.235 19486 2457 1 9 . 1 1 10 10 SER C C 10 169.209 169.209 173.948 -4.739 19486 2458 1 9 . 1 1 10 10 SER CA C 10 61.286 61.286 60.103 1.183 19486 2459 1 9 . 1 1 10 10 SER CB C 10 62.173 62.173 61.770 0.403 19486 2460 1 9 . 1 1 10 10 SER H H 10 7.910 7.910 8.515 -0.605 19486 2461 1 9 . 1 1 11 11 ARG N N 11 122.514 122.514 120.142 2.372 19486 2462 1 9 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.835 -0.757 19486 2463 1 9 . 1 1 11 11 ARG C C 11 172.193 172.193 174.752 -2.559 19486 2464 1 9 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.232 3.657 19486 2465 1 9 . 1 1 11 11 ARG CB C 11 31.569 31.569 32.167 -0.598 19486 2466 1 9 . 1 1 11 11 ARG H H 11 8.047 8.047 7.843 0.204 19486 2467 1 9 . 1 1 12 12 THR N N 12 111.399 111.399 112.079 -0.680 19486 2468 1 9 . 1 1 12 12 THR HA H 12 4.896 4.896 4.747 0.148 19486 2469 1 9 . 1 1 12 12 THR C C 12 168.910 168.910 173.290 -4.380 19486 2470 1 9 . 1 1 12 12 THR CA C 12 60.396 60.396 60.977 -0.582 19486 2471 1 9 . 1 1 12 12 THR CB C 12 71.239 71.239 70.745 0.494 19486 2472 1 9 . 1 1 12 12 THR H H 12 7.716 7.716 8.150 -0.434 19486 2473 1 9 . 1 1 13 13 PHE N N 13 118.814 118.814 122.053 -3.239 19486 2474 1 9 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.756 -0.316 19486 2475 1 9 . 1 1 13 13 PHE C C 13 173.256 173.256 176.656 -3.400 19486 2476 1 9 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.677 0.902 19486 2477 1 9 . 1 1 13 13 PHE CB C 13 43.109 43.109 41.384 1.725 19486 2478 1 9 . 1 1 13 13 PHE H H 13 8.527 8.527 8.957 -0.430 19486 2479 1 9 . 1 1 14 14 PHE N N 14 119.476 119.476 122.890 -3.414 19486 2480 1 9 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.309 0.491 19486 2481 1 9 . 1 1 14 14 PHE C C 14 173.255 173.255 175.301 -2.046 19486 2482 1 9 . 1 1 14 14 PHE CA C 14 59.206 59.206 60.470 -1.264 19486 2483 1 9 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.544 -0.108 19486 2484 1 9 . 1 1 14 14 PHE H H 14 8.975 8.975 8.935 0.040 19486 2485 1 9 . 1 1 15 15 SER N N 15 111.316 111.316 113.185 -1.869 19486 2486 1 9 . 1 1 15 15 SER HA H 15 4.573 4.573 4.658 -0.085 19486 2487 1 9 . 1 1 15 15 SER C C 15 169.172 169.172 175.077 -5.905 19486 2488 1 9 . 1 1 15 15 SER CA C 15 55.948 55.948 56.693 -0.745 19486 2489 1 9 . 1 1 15 15 SER CB C 15 67.029 67.029 64.969 2.060 19486 2490 1 9 . 1 1 15 15 SER H H 15 7.813 7.813 8.066 -0.253 19486 2491 1 9 . 1 1 16 16 GLU N N 16 123.055 123.055 125.974 -2.919 19486 2492 1 9 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.001 -0.581 19486 2493 1 9 . 1 1 16 16 GLU C C 16 179.932 179.932 177.051 2.881 19486 2494 1 9 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.948 -0.654 19486 2495 1 9 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.184 -0.146 19486 2496 1 9 . 1 1 16 16 GLU H H 16 8.755 8.755 8.978 -0.223 19486 2497 1 9 . 1 1 17 17 ASN N N 17 117.537 117.537 119.303 -1.766 19486 2498 1 9 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.571 -0.286 19486 2499 1 9 . 1 1 17 17 ASN C C 17 177.403 177.403 177.826 -0.423 19486 2500 1 9 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.674 0.770 19486 2501 1 9 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.537 0.417 19486 2502 1 9 . 1 1 17 17 ASN H H 17 8.548 8.548 8.430 0.118 19486 2503 1 9 . 1 1 18 18 GLY N N 18 108.587 108.587 109.181 -0.594 19486 2504 1 9 . 1 1 18 18 GLY C C 18 175.491 175.491 175.916 -0.425 19486 2505 1 9 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.388 0.301 19486 2506 1 9 . 1 1 18 18 GLY H H 18 8.038 8.038 8.244 -0.206 19486 2507 1 9 . 1 1 19 19 LEU N N 19 123.120 123.120 123.126 -0.006 19486 2508 1 9 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.007 -0.790 19486 2509 1 9 . 1 1 19 19 LEU C C 19 176.975 176.975 178.545 -1.570 19486 2510 1 9 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.429 0.345 19486 2511 1 9 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.712 -0.817 19486 2512 1 9 . 1 1 19 19 LEU H H 19 7.240 7.240 7.797 -0.557 19486 2513 1 9 . 1 1 20 20 ARG N N 20 119.506 119.506 118.160 1.346 19486 2514 1 9 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.914 -0.130 19486 2515 1 9 . 1 1 20 20 ARG C C 20 181.705 181.705 178.503 3.202 19486 2516 1 9 . 1 1 20 20 ARG CA C 20 60.383 60.383 59.814 0.569 19486 2517 1 9 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.890 0.037 19486 2518 1 9 . 1 1 20 20 ARG H H 20 8.426 8.426 8.169 0.257 19486 2519 1 9 . 1 1 21 21 GLU N N 21 117.954 117.954 118.717 -0.763 19486 2520 1 9 . 1 1 21 21 GLU HA H 21 3.940 3.940 3.997 -0.057 19486 2521 1 9 . 1 1 21 21 GLU C C 21 180.973 180.973 179.149 1.824 19486 2522 1 9 . 1 1 21 21 GLU CA C 21 59.155 59.155 59.127 0.028 19486 2523 1 9 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.581 0.041 19486 2524 1 9 . 1 1 21 21 GLU H H 21 7.961 7.961 7.963 -0.002 19486 2525 1 9 . 1 1 22 22 HIS N N 22 119.084 119.084 119.301 -0.217 19486 2526 1 9 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.159 0.077 19486 2527 1 9 . 1 1 22 22 HIS C C 22 179.182 179.182 177.087 2.095 19486 2528 1 9 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.812 0.048 19486 2529 1 9 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.454 -1.195 19486 2530 1 9 . 1 1 22 22 HIS H H 22 7.434 7.434 7.687 -0.253 19486 2531 1 9 . 1 1 23 23 LEU N N 23 122.153 122.153 119.632 2.521 19486 2532 1 9 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.205 -0.440 19486 2533 1 9 . 1 1 23 23 LEU C C 23 181.265 181.265 178.703 2.562 19486 2534 1 9 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.502 1.085 19486 2535 1 9 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.703 0.137 19486 2536 1 9 . 1 1 23 23 LEU H H 23 8.835 8.835 8.011 0.824 19486 2537 1 9 . 1 1 24 24 GLN N N 24 115.740 115.740 117.063 -1.323 19486 2538 1 9 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.004 0.004 19486 2539 1 9 . 1 1 24 24 GLN C C 24 178.454 178.454 178.078 0.376 19486 2540 1 9 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.619 -0.649 19486 2541 1 9 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.370 0.061 19486 2542 1 9 . 1 1 24 24 GLN H H 24 7.142 7.142 7.795 -0.653 19486 2543 1 9 . 1 1 25 25 THR N N 25 109.376 109.376 111.902 -2.526 19486 2544 1 9 . 1 1 25 25 THR HA H 25 4.129 4.129 4.044 0.085 19486 2545 1 9 . 1 1 25 25 THR C C 25 173.471 173.471 175.315 -1.844 19486 2546 1 9 . 1 1 25 25 THR CA C 25 63.754 63.754 64.441 -0.687 19486 2547 1 9 . 1 1 25 25 THR CB C 25 69.467 69.467 68.433 1.034 19486 2548 1 9 . 1 1 25 25 THR H H 25 7.801 7.801 7.532 0.269 19486 2549 1 9 . 1 1 26 26 HIS N N 26 118.158 118.158 118.093 0.065 19486 2550 1 9 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.795 0.096 19486 2551 1 9 . 1 1 26 26 HIS C C 26 171.847 171.847 175.630 -3.783 19486 2552 1 9 . 1 1 26 26 HIS CA C 26 55.083 55.083 56.272 -1.189 19486 2553 1 9 . 1 1 26 26 HIS CB C 26 28.686 28.686 29.849 -1.163 19486 2554 1 9 . 1 1 26 26 HIS H H 26 7.095 7.095 7.553 -0.458 19486 2555 1 9 . 1 1 27 27 ARG N N 27 120.083 120.083 120.122 -0.039 19486 2556 1 9 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.237 0.163 19486 2557 1 9 . 1 1 27 27 ARG C C 27 175.194 175.194 176.622 -1.428 19486 2558 1 9 . 1 1 27 27 ARG CA C 27 56.387 56.387 57.274 -0.887 19486 2559 1 9 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.982 0.278 19486 2560 1 9 . 1 1 27 27 ARG H H 27 7.630 7.630 7.774 -0.144 19486 2561 1 9 . 1 1 28 28 GLY N N 28 109.773 109.773 107.237 2.536 19486 2562 1 9 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.398 0.234 19486 2563 1 9 . 1 1 28 28 GLY H H 28 8.217 8.217 7.741 0.476 19486 2564 1 9 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.511 -0.124 19486 2565 1 9 . 1 1 29 29 PRO C C 29 176.069 176.069 175.560 0.509 19486 2566 1 9 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.966 0.064 19486 2567 1 9 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.391 -0.164 19486 2568 1 9 . 1 1 30 30 ALA N N 30 124.277 124.277 122.834 1.443 19486 2569 1 9 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.665 -0.474 19486 2570 1 9 . 1 1 30 30 ALA C C 30 177.466 177.466 177.242 0.224 19486 2571 1 9 . 1 1 30 30 ALA CA C 30 52.423 52.423 52.273 0.150 19486 2572 1 9 . 1 1 30 30 ALA CB C 30 19.185 19.185 19.437 -0.252 19486 2573 1 9 . 1 1 30 30 ALA H H 30 8.312 8.312 8.276 0.036 19486 2574 1 9 . 1 1 31 31 LYS N N 31 120.503 120.503 121.521 -1.018 19486 2575 1 9 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.113 0.040 19486 2576 1 9 . 1 1 31 31 LYS C C 31 173.444 173.444 175.696 -2.252 19486 2577 1 9 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.117 -0.147 19486 2578 1 9 . 1 1 31 31 LYS CB C 31 33.189 33.189 31.963 1.226 19486 2579 1 9 . 1 1 31 31 LYS H H 31 8.160 8.160 8.683 -0.523 19486 2580 1 9 . 1 1 32 32 HIS N N 32 118.745 118.745 114.042 4.703 19486 2581 1 9 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.338 0.304 19486 2582 1 9 . 1 1 32 32 HIS C C 32 171.199 171.199 174.038 -2.839 19486 2583 1 9 . 1 1 32 32 HIS CA C 32 55.641 55.641 56.391 -0.750 19486 2584 1 9 . 1 1 32 32 HIS CB C 32 32.293 32.293 26.188 6.105 19486 2585 1 9 . 1 1 32 32 HIS H H 32 7.888 7.888 7.813 0.075 19486 2586 1 9 . 1 1 33 33 TYR N N 33 120.158 120.158 122.678 -2.520 19486 2587 1 9 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.565 -0.021 19486 2588 1 9 . 1 1 33 33 TYR C C 33 172.174 172.174 174.788 -2.614 19486 2589 1 9 . 1 1 33 33 TYR CA C 33 57.776 57.776 58.388 -0.612 19486 2590 1 9 . 1 1 33 33 TYR CB C 33 39.394 39.394 40.281 -0.887 19486 2591 1 9 . 1 1 33 33 TYR H H 33 8.672 8.672 7.997 0.675 19486 2592 1 9 . 1 1 34 34 MET N N 34 123.629 123.629 126.235 -2.606 19486 2593 1 9 . 1 1 34 34 MET HA H 34 5.113 5.113 4.803 0.310 19486 2594 1 9 . 1 1 34 34 MET C C 34 172.661 172.661 175.018 -2.357 19486 2595 1 9 . 1 1 34 34 MET CA C 34 54.285 54.285 54.593 -0.308 19486 2596 1 9 . 1 1 34 34 MET CB C 34 35.606 35.606 34.923 0.683 19486 2597 1 9 . 1 1 34 34 MET H H 34 8.770 8.770 7.788 0.982 19486 2598 1 9 . 1 1 35 35 CYS N N 35 128.648 128.648 127.857 0.791 19486 2599 1 9 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.961 -0.147 19486 2600 1 9 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.060 0.169 19486 2601 1 9 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.870 2.542 19486 2602 1 9 . 1 1 35 35 CYS H H 35 9.412 9.412 8.571 0.841 19486 2603 1 9 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.320 0.207 19486 2604 1 9 . 1 1 36 36 PRO C C 36 175.359 175.359 176.999 -1.640 19486 2605 1 9 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.473 -1.343 19486 2606 1 9 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.925 0.402 19486 2607 1 9 . 1 1 37 37 ILE N N 37 121.680 121.680 117.367 4.313 19486 2608 1 9 . 1 1 37 37 ILE HA H 37 3.906 3.906 4.003 -0.097 19486 2609 1 9 . 1 1 37 37 ILE C C 37 176.316 176.316 177.218 -0.902 19486 2610 1 9 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.768 0.392 19486 2611 1 9 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.524 -0.191 19486 2612 1 9 . 1 1 37 37 ILE H H 37 8.802 8.802 8.242 0.560 19486 2613 1 9 . 1 1 38 38 CYS N N 38 115.962 115.962 114.821 1.141 19486 2614 1 9 . 1 1 38 38 CYS HA H 38 5.137 5.137 5.020 0.117 19486 2615 1 9 . 1 1 38 38 CYS C C 38 175.994 175.994 175.895 0.099 19486 2616 1 9 . 1 1 38 38 CYS CA C 38 58.260 58.260 57.174 1.086 19486 2617 1 9 . 1 1 38 38 CYS CB C 38 32.806 32.806 29.448 3.358 19486 2618 1 9 . 1 1 38 38 CYS H H 38 8.070 8.070 8.069 0.001 19486 2619 1 9 . 1 1 39 39 GLY N N 39 113.286 113.286 110.952 2.334 19486 2620 1 9 . 1 1 39 39 GLY C C 39 169.495 169.495 174.958 -5.463 19486 2621 1 9 . 1 1 39 39 GLY CA C 39 46.446 46.446 46.191 0.255 19486 2622 1 9 . 1 1 39 39 GLY H H 39 8.113 8.113 8.035 0.078 19486 2623 1 9 . 1 1 40 40 GLU N N 40 122.500 122.500 120.008 2.492 19486 2624 1 9 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.184 -0.156 19486 2625 1 9 . 1 1 40 40 GLU C C 40 171.486 171.486 176.521 -5.035 19486 2626 1 9 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.860 0.859 19486 2627 1 9 . 1 1 40 40 GLU CB C 40 30.434 30.434 29.965 0.469 19486 2628 1 9 . 1 1 40 40 GLU H H 40 8.119 8.119 8.025 0.094 19486 2629 1 9 . 1 1 41 41 ARG N N 41 120.904 120.904 121.769 -0.865 19486 2630 1 9 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.774 0.164 19486 2631 1 9 . 1 1 41 41 ARG C C 41 173.428 173.428 175.386 -1.958 19486 2632 1 9 . 1 1 41 41 ARG CA C 41 55.153 55.153 55.615 -0.462 19486 2633 1 9 . 1 1 41 41 ARG CB C 41 32.810 32.810 31.180 1.630 19486 2634 1 9 . 1 1 41 41 ARG H H 41 8.051 8.051 8.344 -0.293 19486 2635 1 9 . 1 1 42 42 PHE N N 42 119.481 119.481 124.815 -5.334 19486 2636 1 9 . 1 1 42 42 PHE HA H 42 4.688 4.688 5.025 -0.337 19486 2637 1 9 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.024 1.713 19486 2638 1 9 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.902 0.074 19486 2639 1 9 . 1 1 42 42 PHE H H 42 8.856 8.856 8.573 0.283 19486 2640 1 9 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.391 0.398 19486 2641 1 9 . 1 1 43 43 PRO C C 43 174.319 174.319 176.479 -2.160 19486 2642 1 9 . 1 1 43 43 PRO CA C 43 63.666 63.666 64.297 -0.631 19486 2643 1 9 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.216 0.587 19486 2644 1 9 . 1 1 44 44 SER N N 44 110.500 110.500 111.940 -1.440 19486 2645 1 9 . 1 1 44 44 SER HA H 44 4.601 4.601 4.705 -0.104 19486 2646 1 9 . 1 1 44 44 SER C C 44 166.956 166.956 172.976 -6.020 19486 2647 1 9 . 1 1 44 44 SER CA C 44 55.700 55.700 56.818 -1.118 19486 2648 1 9 . 1 1 44 44 SER CB C 44 67.018 67.018 65.905 1.113 19486 2649 1 9 . 1 1 44 44 SER H H 44 7.246 7.246 7.891 -0.645 19486 2650 1 9 . 1 1 45 45 LEU N N 45 122.780 122.780 122.377 0.403 19486 2651 1 9 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.289 -0.784 19486 2652 1 9 . 1 1 45 45 LEU C C 45 181.968 181.968 175.182 6.786 19486 2653 1 9 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.602 2.670 19486 2654 1 9 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.598 0.579 19486 2655 1 9 . 1 1 45 45 LEU H H 45 8.272 8.272 8.814 -0.542 19486 2656 1 9 . 1 1 46 46 LEU N N 46 121.552 121.552 118.840 2.712 19486 2657 1 9 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.521 -0.487 19486 2658 1 9 . 1 1 46 46 LEU C C 46 180.359 180.359 178.124 2.235 19486 2659 1 9 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.735 1.901 19486 2660 1 9 . 1 1 46 46 LEU CB C 46 42.115 42.115 42.904 -0.789 19486 2661 1 9 . 1 1 46 46 LEU H H 46 8.289 8.289 7.694 0.595 19486 2662 1 9 . 1 1 47 47 THR N N 47 109.081 109.081 114.747 -5.666 19486 2663 1 9 . 1 1 47 47 THR HA H 47 3.980 3.980 4.303 -0.323 19486 2664 1 9 . 1 1 47 47 THR C C 47 179.649 179.649 176.654 2.995 19486 2665 1 9 . 1 1 47 47 THR CA C 47 65.057 65.057 65.496 -0.438 19486 2666 1 9 . 1 1 47 47 THR CB C 47 69.160 69.160 69.155 0.005 19486 2667 1 9 . 1 1 47 47 THR H H 47 7.456 7.456 7.802 -0.346 19486 2668 1 9 . 1 1 48 48 LEU N N 48 124.194 124.194 122.458 1.736 19486 2669 1 9 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.818 -0.549 19486 2670 1 9 . 1 1 48 48 LEU C C 48 178.335 178.335 178.380 -0.045 19486 2671 1 9 . 1 1 48 48 LEU CA C 48 58.381 58.381 57.680 0.701 19486 2672 1 9 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.587 -0.720 19486 2673 1 9 . 1 1 48 48 LEU H H 48 7.582 7.582 7.798 -0.216 19486 2674 1 9 . 1 1 49 49 THR N N 49 117.072 117.072 114.607 2.465 19486 2675 1 9 . 1 1 49 49 THR HA H 49 3.645 3.645 3.801 -0.156 19486 2676 1 9 . 1 1 49 49 THR C C 49 175.471 175.471 176.413 -0.942 19486 2677 1 9 . 1 1 49 49 THR CA C 49 67.720 67.720 67.323 0.397 19486 2678 1 9 . 1 1 49 49 THR CB C 49 68.791 68.791 68.629 0.162 19486 2679 1 9 . 1 1 49 49 THR H H 49 8.558 8.558 7.984 0.574 19486 2680 1 9 . 1 1 50 50 GLU N N 50 120.004 120.004 120.832 -0.828 19486 2681 1 9 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.878 0.051 19486 2682 1 9 . 1 1 50 50 GLU C C 50 179.081 179.081 178.545 0.536 19486 2683 1 9 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.130 -0.000 19486 2684 1 9 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.169 0.515 19486 2685 1 9 . 1 1 50 50 GLU H H 50 7.966 7.966 8.069 -0.103 19486 2686 1 9 . 1 1 51 51 HIS N N 51 117.288 117.288 120.769 -3.481 19486 2687 1 9 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.130 0.119 19486 2688 1 9 . 1 1 51 51 HIS C C 51 178.240 178.240 176.646 1.594 19486 2689 1 9 . 1 1 51 51 HIS CA C 51 58.486 58.486 59.109 -0.623 19486 2690 1 9 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.527 -1.463 19486 2691 1 9 . 1 1 51 51 HIS H H 51 7.377 7.377 7.415 -0.038 19486 2692 1 9 . 1 1 52 52 LYS N N 52 120.729 120.729 118.067 2.662 19486 2693 1 9 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.104 -0.426 19486 2694 1 9 . 1 1 52 52 LYS C C 52 178.361 178.361 179.028 -0.667 19486 2695 1 9 . 1 1 52 52 LYS CA C 52 60.653 60.653 58.823 1.830 19486 2696 1 9 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.547 -0.087 19486 2697 1 9 . 1 1 52 52 LYS H H 52 8.572 8.572 7.775 0.797 19486 2698 1 9 . 1 1 53 53 VAL N N 53 112.220 112.220 114.198 -1.978 19486 2699 1 9 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.008 0.091 19486 2700 1 9 . 1 1 53 53 VAL C C 53 175.078 175.078 177.644 -2.566 19486 2701 1 9 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.808 -1.368 19486 2702 1 9 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.417 -0.030 19486 2703 1 9 . 1 1 53 53 VAL H H 53 6.940 6.940 7.640 -0.700 19486 2704 1 9 . 1 1 54 54 THR N N 54 110.466 110.466 111.916 -1.450 19486 2705 1 9 . 1 1 54 54 THR HA H 54 4.135 4.135 4.309 -0.174 19486 2706 1 9 . 1 1 54 54 THR C C 54 171.847 171.847 174.690 -2.843 19486 2707 1 9 . 1 1 54 54 THR CA C 54 63.056 63.056 60.744 2.312 19486 2708 1 9 . 1 1 54 54 THR CB C 54 69.595 69.595 68.144 1.451 19486 2709 1 9 . 1 1 54 54 THR H H 54 7.581 7.581 7.482 0.099 19486 2710 1 10 . 1 1 2 2 GLY N N 2 110.487 110.487 110.675 -0.188 19486 2711 1 10 . 1 1 2 2 GLY C C 2 169.148 169.148 172.772 -3.624 19486 2712 1 10 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.979 0.100 19486 2713 1 10 . 1 1 2 2 GLY H H 2 8.216 8.216 8.646 -0.430 19486 2714 1 10 . 1 1 3 3 SER N N 3 114.424 114.424 116.166 -1.742 19486 2715 1 10 . 1 1 3 3 SER HA H 3 4.357 4.357 5.036 -0.679 19486 2716 1 10 . 1 1 3 3 SER C C 3 169.812 169.812 173.566 -3.754 19486 2717 1 10 . 1 1 3 3 SER CA C 3 58.382 58.382 58.044 0.339 19486 2718 1 10 . 1 1 3 3 SER CB C 3 64.088 64.088 65.204 -1.116 19486 2719 1 10 . 1 1 3 3 SER H H 3 7.996 7.996 8.428 -0.432 19486 2720 1 10 . 1 1 4 4 HIS N N 4 122.476 122.476 123.492 -1.016 19486 2721 1 10 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.931 -0.323 19486 2722 1 10 . 1 1 4 4 HIS C C 4 170.682 170.682 173.832 -3.150 19486 2723 1 10 . 1 1 4 4 HIS CA C 4 55.362 55.362 55.886 -0.524 19486 2724 1 10 . 1 1 4 4 HIS CB C 4 30.816 30.816 32.962 -2.146 19486 2725 1 10 . 1 1 4 4 HIS H H 4 8.315 8.315 8.767 -0.452 19486 2726 1 10 . 1 1 5 5 LYS N N 5 125.975 125.975 122.521 3.454 19486 2727 1 10 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.583 0.172 19486 2728 1 10 . 1 1 5 5 LYS C C 5 172.684 172.684 176.399 -3.715 19486 2729 1 10 . 1 1 5 5 LYS CA C 5 55.663 55.663 55.586 0.077 19486 2730 1 10 . 1 1 5 5 LYS CB C 5 35.248 35.248 33.637 1.611 19486 2731 1 10 . 1 1 5 5 LYS H H 5 8.655 8.655 8.497 0.158 19486 2732 1 10 . 1 1 6 6 CYS N N 6 127.588 127.588 128.630 -1.042 19486 2733 1 10 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.534 -0.078 19486 2734 1 10 . 1 1 6 6 CYS C C 6 175.723 175.723 175.643 0.080 19486 2735 1 10 . 1 1 6 6 CYS CA C 6 60.218 60.218 59.276 0.942 19486 2736 1 10 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.103 3.610 19486 2737 1 10 . 1 1 6 6 CYS H H 6 9.046 9.046 8.814 0.232 19486 2738 1 10 . 1 1 7 7 ASN N N 7 128.450 128.450 126.147 2.303 19486 2739 1 10 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.418 0.190 19486 2740 1 10 . 1 1 7 7 ASN C C 7 172.781 172.781 176.366 -3.585 19486 2741 1 10 . 1 1 7 7 ASN CA C 7 55.018 55.018 55.712 -0.694 19486 2742 1 10 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.549 -0.408 19486 2743 1 10 . 1 1 7 7 ASN H H 7 9.075 9.075 8.473 0.602 19486 2744 1 10 . 1 1 8 8 VAL N N 8 123.473 123.473 118.512 4.961 19486 2745 1 10 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.761 0.044 19486 2746 1 10 . 1 1 8 8 VAL C C 8 176.694 176.694 176.607 0.087 19486 2747 1 10 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.531 0.494 19486 2748 1 10 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.366 1.597 19486 2749 1 10 . 1 1 8 8 VAL H H 8 9.223 9.223 8.004 1.219 19486 2750 1 10 . 1 1 9 9 CYS N N 9 118.379 118.379 116.646 1.733 19486 2751 1 10 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.642 0.517 19486 2752 1 10 . 1 1 9 9 CYS C C 9 173.754 173.754 175.654 -1.900 19486 2753 1 10 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.533 -1.081 19486 2754 1 10 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.445 3.899 19486 2755 1 10 . 1 1 9 9 CYS H H 9 8.457 8.457 8.018 0.439 19486 2756 1 10 . 1 1 10 10 SER N N 10 114.054 114.054 112.759 1.295 19486 2757 1 10 . 1 1 10 10 SER HA H 10 4.260 4.260 4.485 -0.225 19486 2758 1 10 . 1 1 10 10 SER C C 10 169.209 169.209 173.790 -4.581 19486 2759 1 10 . 1 1 10 10 SER CA C 10 61.286 61.286 58.867 2.419 19486 2760 1 10 . 1 1 10 10 SER CB C 10 62.173 62.173 63.496 -1.323 19486 2761 1 10 . 1 1 10 10 SER H H 10 7.910 7.910 8.361 -0.451 19486 2762 1 10 . 1 1 11 11 ARG N N 11 122.514 122.514 122.123 0.391 19486 2763 1 10 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.503 -0.425 19486 2764 1 10 . 1 1 11 11 ARG C C 11 172.193 172.193 174.978 -2.785 19486 2765 1 10 . 1 1 11 11 ARG CA C 11 57.889 57.889 55.531 2.358 19486 2766 1 10 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.412 0.157 19486 2767 1 10 . 1 1 11 11 ARG H H 11 8.047 8.047 8.127 -0.080 19486 2768 1 10 . 1 1 12 12 THR N N 12 111.399 111.399 113.007 -1.608 19486 2769 1 10 . 1 1 12 12 THR HA H 12 4.896 4.896 5.114 -0.218 19486 2770 1 10 . 1 1 12 12 THR C C 12 168.910 168.910 173.127 -4.217 19486 2771 1 10 . 1 1 12 12 THR CA C 12 60.396 60.396 59.927 0.469 19486 2772 1 10 . 1 1 12 12 THR CB C 12 71.239 71.239 70.499 0.741 19486 2773 1 10 . 1 1 12 12 THR H H 12 7.716 7.716 7.903 -0.187 19486 2774 1 10 . 1 1 13 13 PHE N N 13 118.814 118.814 124.235 -5.421 19486 2775 1 10 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.668 -0.228 19486 2776 1 10 . 1 1 13 13 PHE C C 13 173.256 173.256 175.631 -2.375 19486 2777 1 10 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.356 1.223 19486 2778 1 10 . 1 1 13 13 PHE CB C 13 43.109 43.109 41.715 1.394 19486 2779 1 10 . 1 1 13 13 PHE H H 13 8.527 8.527 8.210 0.317 19486 2780 1 10 . 1 1 14 14 PHE N N 14 119.476 119.476 121.549 -2.073 19486 2781 1 10 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.164 0.636 19486 2782 1 10 . 1 1 14 14 PHE C C 14 173.255 173.255 176.181 -2.926 19486 2783 1 10 . 1 1 14 14 PHE CA C 14 59.206 59.206 60.889 -1.683 19486 2784 1 10 . 1 1 14 14 PHE CB C 14 39.436 39.436 38.901 0.535 19486 2785 1 10 . 1 1 14 14 PHE H H 14 8.975 8.975 8.406 0.569 19486 2786 1 10 . 1 1 15 15 SER N N 15 111.316 111.316 112.813 -1.497 19486 2787 1 10 . 1 1 15 15 SER HA H 15 4.573 4.573 5.054 -0.481 19486 2788 1 10 . 1 1 15 15 SER C C 15 169.172 169.172 175.452 -6.280 19486 2789 1 10 . 1 1 15 15 SER CA C 15 55.948 55.948 56.304 -0.356 19486 2790 1 10 . 1 1 15 15 SER CB C 15 67.029 67.029 65.616 1.413 19486 2791 1 10 . 1 1 15 15 SER H H 15 7.813 7.813 8.378 -0.565 19486 2792 1 10 . 1 1 16 16 GLU N N 16 123.055 123.055 124.275 -1.220 19486 2793 1 10 . 1 1 16 16 GLU HA H 16 3.420 3.420 3.944 -0.524 19486 2794 1 10 . 1 1 16 16 GLU C C 16 179.932 179.932 177.953 1.979 19486 2795 1 10 . 1 1 16 16 GLU CA C 16 59.294 59.294 60.402 -1.108 19486 2796 1 10 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.691 -0.653 19486 2797 1 10 . 1 1 16 16 GLU H H 16 8.755 8.755 8.432 0.323 19486 2798 1 10 . 1 1 17 17 ASN N N 17 117.537 117.537 117.177 0.360 19486 2799 1 10 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.439 -0.154 19486 2800 1 10 . 1 1 17 17 ASN C C 17 177.403 177.403 177.689 -0.286 19486 2801 1 10 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.967 0.477 19486 2802 1 10 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.256 0.698 19486 2803 1 10 . 1 1 17 17 ASN H H 17 8.548 8.548 8.701 -0.153 19486 2804 1 10 . 1 1 18 18 GLY N N 18 108.587 108.587 108.067 0.520 19486 2805 1 10 . 1 1 18 18 GLY C C 18 175.491 175.491 175.651 -0.160 19486 2806 1 10 . 1 1 18 18 GLY CA C 18 46.689 46.689 45.798 0.890 19486 2807 1 10 . 1 1 18 18 GLY H H 18 8.038 8.038 7.298 0.740 19486 2808 1 10 . 1 1 19 19 LEU N N 19 123.120 123.120 123.387 -0.267 19486 2809 1 10 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.136 -0.919 19486 2810 1 10 . 1 1 19 19 LEU C C 19 176.975 176.975 178.766 -1.791 19486 2811 1 10 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.496 0.278 19486 2812 1 10 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.572 -0.677 19486 2813 1 10 . 1 1 19 19 LEU H H 19 7.240 7.240 7.741 -0.501 19486 2814 1 10 . 1 1 20 20 ARG N N 20 119.506 119.506 118.322 1.184 19486 2815 1 10 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.838 -0.054 19486 2816 1 10 . 1 1 20 20 ARG C C 20 181.705 181.705 178.382 3.323 19486 2817 1 10 . 1 1 20 20 ARG CA C 20 60.383 60.383 60.136 0.247 19486 2818 1 10 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.749 0.178 19486 2819 1 10 . 1 1 20 20 ARG H H 20 8.426 8.426 8.072 0.354 19486 2820 1 10 . 1 1 21 21 GLU N N 21 117.954 117.954 118.335 -0.381 19486 2821 1 10 . 1 1 21 21 GLU HA H 21 3.940 3.940 3.996 -0.056 19486 2822 1 10 . 1 1 21 21 GLU C C 21 180.973 180.973 177.912 3.061 19486 2823 1 10 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.919 0.236 19486 2824 1 10 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.581 0.041 19486 2825 1 10 . 1 1 21 21 GLU H H 21 7.961 7.961 7.746 0.215 19486 2826 1 10 . 1 1 22 22 HIS N N 22 119.084 119.084 117.371 1.713 19486 2827 1 10 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.364 -0.128 19486 2828 1 10 . 1 1 22 22 HIS C C 22 179.182 179.182 176.963 2.219 19486 2829 1 10 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.569 0.291 19486 2830 1 10 . 1 1 22 22 HIS CB C 22 28.259 28.259 30.265 -2.006 19486 2831 1 10 . 1 1 22 22 HIS H H 22 7.434 7.434 7.782 -0.348 19486 2832 1 10 . 1 1 23 23 LEU N N 23 122.153 122.153 120.715 1.438 19486 2833 1 10 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.145 -0.380 19486 2834 1 10 . 1 1 23 23 LEU C C 23 181.265 181.265 179.175 2.090 19486 2835 1 10 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.648 0.939 19486 2836 1 10 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.784 0.056 19486 2837 1 10 . 1 1 23 23 LEU H H 23 8.835 8.835 8.292 0.543 19486 2838 1 10 . 1 1 24 24 GLN N N 24 115.740 115.740 116.421 -0.681 19486 2839 1 10 . 1 1 24 24 GLN HA H 24 4.008 4.008 3.968 0.040 19486 2840 1 10 . 1 1 24 24 GLN C C 24 178.454 178.454 177.586 0.868 19486 2841 1 10 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.559 -0.589 19486 2842 1 10 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.314 0.117 19486 2843 1 10 . 1 1 24 24 GLN H H 24 7.142 7.142 7.809 -0.667 19486 2844 1 10 . 1 1 25 25 THR N N 25 109.376 109.376 108.118 1.258 19486 2845 1 10 . 1 1 25 25 THR HA H 25 4.129 4.129 4.152 -0.023 19486 2846 1 10 . 1 1 25 25 THR C C 25 173.471 173.471 175.964 -2.493 19486 2847 1 10 . 1 1 25 25 THR CA C 25 63.754 63.754 64.028 -0.274 19486 2848 1 10 . 1 1 25 25 THR CB C 25 69.467 69.467 68.999 0.468 19486 2849 1 10 . 1 1 25 25 THR H H 25 7.801 7.801 7.146 0.655 19486 2850 1 10 . 1 1 26 26 HIS N N 26 118.158 118.158 120.614 -2.456 19486 2851 1 10 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.499 0.392 19486 2852 1 10 . 1 1 26 26 HIS C C 26 171.847 171.847 176.367 -4.520 19486 2853 1 10 . 1 1 26 26 HIS CA C 26 55.083 55.083 58.584 -3.501 19486 2854 1 10 . 1 1 26 26 HIS CB C 26 28.686 28.686 29.790 -1.104 19486 2855 1 10 . 1 1 26 26 HIS H H 26 7.095 7.095 7.464 -0.369 19486 2856 1 10 . 1 1 27 27 ARG N N 27 120.083 120.083 119.209 0.874 19486 2857 1 10 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.295 0.105 19486 2858 1 10 . 1 1 27 27 ARG C C 27 175.194 175.194 176.144 -0.950 19486 2859 1 10 . 1 1 27 27 ARG CA C 27 56.387 56.387 55.458 0.929 19486 2860 1 10 . 1 1 27 27 ARG CB C 27 31.260 31.260 29.550 1.710 19486 2861 1 10 . 1 1 27 27 ARG H H 27 7.630 7.630 7.788 -0.158 19486 2862 1 10 . 1 1 28 28 GLY N N 28 109.773 109.773 108.721 1.052 19486 2863 1 10 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.308 0.324 19486 2864 1 10 . 1 1 28 28 GLY H H 28 8.217 8.217 7.430 0.787 19486 2865 1 10 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.366 0.021 19486 2866 1 10 . 1 1 29 29 PRO C C 29 176.069 176.069 176.372 -0.303 19486 2867 1 10 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.740 0.290 19486 2868 1 10 . 1 1 29 29 PRO CB C 29 32.227 32.227 31.931 0.296 19486 2869 1 10 . 1 1 30 30 ALA N N 30 124.277 124.277 128.075 -3.798 19486 2870 1 10 . 1 1 30 30 ALA HA H 30 4.191 4.191 3.588 0.603 19486 2871 1 10 . 1 1 30 30 ALA C C 30 177.466 177.466 176.984 0.482 19486 2872 1 10 . 1 1 30 30 ALA CA C 30 52.423 52.423 52.528 -0.105 19486 2873 1 10 . 1 1 30 30 ALA CB C 30 19.185 19.185 17.448 1.737 19486 2874 1 10 . 1 1 30 30 ALA H H 30 8.312 8.312 8.606 -0.294 19486 2875 1 10 . 1 1 31 31 LYS N N 31 120.503 120.503 119.100 1.403 19486 2876 1 10 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.262 -0.109 19486 2877 1 10 . 1 1 31 31 LYS C C 31 173.444 173.444 174.471 -1.027 19486 2878 1 10 . 1 1 31 31 LYS CA C 31 55.970 55.970 55.626 0.344 19486 2879 1 10 . 1 1 31 31 LYS CB C 31 33.189 33.189 34.033 -0.844 19486 2880 1 10 . 1 1 31 31 LYS H H 31 8.160 8.160 8.106 0.054 19486 2881 1 10 . 1 1 32 32 HIS N N 32 118.745 118.745 115.725 3.020 19486 2882 1 10 . 1 1 32 32 HIS HA H 32 4.642 4.642 5.147 -0.505 19486 2883 1 10 . 1 1 32 32 HIS C C 32 171.199 171.199 174.568 -3.369 19486 2884 1 10 . 1 1 32 32 HIS CA C 32 55.641 55.641 53.498 2.143 19486 2885 1 10 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.913 1.380 19486 2886 1 10 . 1 1 32 32 HIS H H 32 7.888 7.888 7.030 0.858 19486 2887 1 10 . 1 1 33 33 TYR N N 33 120.158 120.158 119.363 0.795 19486 2888 1 10 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.821 -0.277 19486 2889 1 10 . 1 1 33 33 TYR C C 33 172.174 172.174 174.706 -2.532 19486 2890 1 10 . 1 1 33 33 TYR CA C 33 57.776 57.776 56.960 0.816 19486 2891 1 10 . 1 1 33 33 TYR CB C 33 39.394 39.394 41.376 -1.982 19486 2892 1 10 . 1 1 33 33 TYR H H 33 8.672 8.672 9.010 -0.338 19486 2893 1 10 . 1 1 34 34 MET N N 34 123.629 123.629 123.550 0.079 19486 2894 1 10 . 1 1 34 34 MET HA H 34 5.113 5.113 5.339 -0.226 19486 2895 1 10 . 1 1 34 34 MET C C 34 172.661 172.661 175.596 -2.935 19486 2896 1 10 . 1 1 34 34 MET CA C 34 54.285 54.285 53.865 0.420 19486 2897 1 10 . 1 1 34 34 MET CB C 34 35.606 35.606 35.894 -0.288 19486 2898 1 10 . 1 1 34 34 MET H H 34 8.770 8.770 8.417 0.353 19486 2899 1 10 . 1 1 35 35 CYS N N 35 128.648 128.648 127.196 1.452 19486 2900 1 10 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.811 0.003 19486 2901 1 10 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.810 -0.581 19486 2902 1 10 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.796 2.617 19486 2903 1 10 . 1 1 35 35 CYS H H 35 9.412 9.412 8.654 0.758 19486 2904 1 10 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.330 0.197 19486 2905 1 10 . 1 1 36 36 PRO C C 36 175.359 175.359 177.117 -1.758 19486 2906 1 10 . 1 1 36 36 PRO CA C 36 64.130 64.130 64.947 -0.817 19486 2907 1 10 . 1 1 36 36 PRO CB C 36 32.327 32.327 32.055 0.272 19486 2908 1 10 . 1 1 37 37 ILE N N 37 121.680 121.680 117.920 3.760 19486 2909 1 10 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.934 -0.028 19486 2910 1 10 . 1 1 37 37 ILE C C 37 176.316 176.316 177.418 -1.102 19486 2911 1 10 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.973 0.187 19486 2912 1 10 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.423 -0.090 19486 2913 1 10 . 1 1 37 37 ILE H H 37 8.802 8.802 7.790 1.012 19486 2914 1 10 . 1 1 38 38 CYS N N 38 115.962 115.962 113.610 2.352 19486 2915 1 10 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.901 0.236 19486 2916 1 10 . 1 1 38 38 CYS C C 38 175.994 175.994 175.470 0.524 19486 2917 1 10 . 1 1 38 38 CYS CA C 38 58.260 58.260 56.646 1.614 19486 2918 1 10 . 1 1 38 38 CYS CB C 38 32.806 32.806 28.285 4.521 19486 2919 1 10 . 1 1 38 38 CYS H H 38 8.070 8.070 8.171 -0.101 19486 2920 1 10 . 1 1 39 39 GLY N N 39 113.286 113.286 110.876 2.410 19486 2921 1 10 . 1 1 39 39 GLY C C 39 169.495 169.495 174.815 -5.320 19486 2922 1 10 . 1 1 39 39 GLY CA C 39 46.446 46.446 46.218 0.228 19486 2923 1 10 . 1 1 39 39 GLY H H 39 8.113 8.113 7.962 0.151 19486 2924 1 10 . 1 1 40 40 GLU N N 40 122.500 122.500 118.804 3.696 19486 2925 1 10 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.045 -0.017 19486 2926 1 10 . 1 1 40 40 GLU C C 40 171.486 171.486 176.406 -4.920 19486 2927 1 10 . 1 1 40 40 GLU CA C 40 57.719 57.719 57.188 0.531 19486 2928 1 10 . 1 1 40 40 GLU CB C 40 30.434 30.434 29.780 0.654 19486 2929 1 10 . 1 1 40 40 GLU H H 40 8.119 8.119 8.337 -0.218 19486 2930 1 10 . 1 1 41 41 ARG N N 41 120.904 120.904 121.632 -0.728 19486 2931 1 10 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.310 0.628 19486 2932 1 10 . 1 1 41 41 ARG C C 41 173.428 173.428 175.214 -1.786 19486 2933 1 10 . 1 1 41 41 ARG CA C 41 55.153 55.153 55.828 -0.675 19486 2934 1 10 . 1 1 41 41 ARG CB C 41 32.810 32.810 30.875 1.935 19486 2935 1 10 . 1 1 41 41 ARG H H 41 8.051 8.051 8.161 -0.110 19486 2936 1 10 . 1 1 42 42 PHE N N 42 119.481 119.481 123.815 -4.334 19486 2937 1 10 . 1 1 42 42 PHE HA H 42 4.688 4.688 5.004 -0.316 19486 2938 1 10 . 1 1 42 42 PHE CA C 42 56.737 56.737 54.955 1.782 19486 2939 1 10 . 1 1 42 42 PHE CB C 42 41.976 41.976 42.192 -0.216 19486 2940 1 10 . 1 1 42 42 PHE H H 42 8.856 8.856 8.498 0.358 19486 2941 1 10 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.545 0.244 19486 2942 1 10 . 1 1 43 43 PRO C C 43 174.319 174.319 176.650 -2.331 19486 2943 1 10 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.842 -0.176 19486 2944 1 10 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.173 0.630 19486 2945 1 10 . 1 1 44 44 SER N N 44 110.500 110.500 112.884 -2.384 19486 2946 1 10 . 1 1 44 44 SER HA H 44 4.601 4.601 4.962 -0.361 19486 2947 1 10 . 1 1 44 44 SER C C 44 166.956 166.956 173.344 -6.388 19486 2948 1 10 . 1 1 44 44 SER CA C 44 55.700 55.700 57.027 -1.327 19486 2949 1 10 . 1 1 44 44 SER CB C 44 67.018 67.018 65.412 1.606 19486 2950 1 10 . 1 1 44 44 SER H H 44 7.246 7.246 7.755 -0.509 19486 2951 1 10 . 1 1 45 45 LEU N N 45 122.780 122.780 123.353 -0.573 19486 2952 1 10 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.200 -0.695 19486 2953 1 10 . 1 1 45 45 LEU C C 45 181.968 181.968 175.137 6.831 19486 2954 1 10 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.395 2.877 19486 2955 1 10 . 1 1 45 45 LEU CB C 45 41.177 41.177 39.876 1.301 19486 2956 1 10 . 1 1 45 45 LEU H H 45 8.272 8.272 8.536 -0.264 19486 2957 1 10 . 1 1 46 46 LEU N N 46 121.552 121.552 117.145 4.407 19486 2958 1 10 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.473 -0.439 19486 2959 1 10 . 1 1 46 46 LEU C C 46 180.359 180.359 178.027 2.332 19486 2960 1 10 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.157 2.478 19486 2961 1 10 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.874 -1.759 19486 2962 1 10 . 1 1 46 46 LEU H H 46 8.289 8.289 7.521 0.768 19486 2963 1 10 . 1 1 47 47 THR N N 47 109.081 109.081 115.513 -6.432 19486 2964 1 10 . 1 1 47 47 THR HA H 47 3.980 3.980 3.872 0.108 19486 2965 1 10 . 1 1 47 47 THR C C 47 179.649 179.649 176.227 3.422 19486 2966 1 10 . 1 1 47 47 THR CA C 47 65.057 65.057 65.927 -0.870 19486 2967 1 10 . 1 1 47 47 THR CB C 47 69.160 69.160 68.932 0.228 19486 2968 1 10 . 1 1 47 47 THR H H 47 7.456 7.456 7.636 -0.180 19486 2969 1 10 . 1 1 48 48 LEU N N 48 124.194 124.194 121.662 2.532 19486 2970 1 10 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.596 -0.327 19486 2971 1 10 . 1 1 48 48 LEU C C 48 178.335 178.335 178.349 -0.014 19486 2972 1 10 . 1 1 48 48 LEU CA C 48 58.381 58.381 57.804 0.577 19486 2973 1 10 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.348 -0.481 19486 2974 1 10 . 1 1 48 48 LEU H H 48 7.582 7.582 7.525 0.057 19486 2975 1 10 . 1 1 49 49 THR N N 49 117.072 117.072 115.235 1.837 19486 2976 1 10 . 1 1 49 49 THR HA H 49 3.645 3.645 3.869 -0.224 19486 2977 1 10 . 1 1 49 49 THR C C 49 175.471 175.471 176.864 -1.393 19486 2978 1 10 . 1 1 49 49 THR CA C 49 67.720 67.720 66.940 0.780 19486 2979 1 10 . 1 1 49 49 THR CB C 49 68.791 68.791 68.186 0.605 19486 2980 1 10 . 1 1 49 49 THR H H 49 8.558 8.558 7.726 0.832 19486 2981 1 10 . 1 1 50 50 GLU N N 50 120.004 120.004 120.915 -0.911 19486 2982 1 10 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.951 -0.022 19486 2983 1 10 . 1 1 50 50 GLU C C 50 179.081 179.081 178.998 0.083 19486 2984 1 10 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.405 -0.275 19486 2985 1 10 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.072 0.612 19486 2986 1 10 . 1 1 50 50 GLU H H 50 7.966 7.966 7.891 0.075 19486 2987 1 10 . 1 1 51 51 HIS N N 51 117.288 117.288 118.838 -1.550 19486 2988 1 10 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.217 0.032 19486 2989 1 10 . 1 1 51 51 HIS C C 51 178.240 178.240 176.378 1.862 19486 2990 1 10 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.629 -0.143 19486 2991 1 10 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.774 -1.710 19486 2992 1 10 . 1 1 51 51 HIS H H 51 7.377 7.377 7.339 0.038 19486 2993 1 10 . 1 1 52 52 LYS N N 52 120.729 120.729 117.474 3.255 19486 2994 1 10 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.128 -0.450 19486 2995 1 10 . 1 1 52 52 LYS C C 52 178.361 178.361 178.974 -0.613 19486 2996 1 10 . 1 1 52 52 LYS CA C 52 60.653 60.653 58.897 1.756 19486 2997 1 10 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.613 -0.153 19486 2998 1 10 . 1 1 52 52 LYS H H 52 8.572 8.572 7.653 0.919 19486 2999 1 10 . 1 1 53 53 VAL N N 53 112.220 112.220 116.215 -3.995 19486 3000 1 10 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.151 -0.052 19486 3001 1 10 . 1 1 53 53 VAL C C 53 175.078 175.078 177.556 -2.478 19486 3002 1 10 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.803 -1.363 19486 3003 1 10 . 1 1 53 53 VAL CB C 53 31.387 31.387 32.048 -0.661 19486 3004 1 10 . 1 1 53 53 VAL H H 53 6.940 6.940 7.837 -0.897 19486 3005 1 10 . 1 1 54 54 THR N N 54 110.466 110.466 112.338 -1.872 19486 3006 1 10 . 1 1 54 54 THR HA H 54 4.135 4.135 4.204 -0.069 19486 3007 1 10 . 1 1 54 54 THR C C 54 171.847 171.847 174.959 -3.112 19486 3008 1 10 . 1 1 54 54 THR CA C 54 63.056 63.056 62.297 0.759 19486 3009 1 10 . 1 1 54 54 THR CB C 54 69.595 69.595 68.667 0.928 19486 3010 1 10 . 1 1 54 54 THR H H 54 7.581 7.581 7.667 -0.086 19486 3011 1 11 . 1 1 2 2 GLY N N 2 110.487 110.487 109.343 1.144 19486 3012 1 11 . 1 1 2 2 GLY C C 2 169.148 169.148 173.517 -4.369 19486 3013 1 11 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.220 0.859 19486 3014 1 11 . 1 1 2 2 GLY H H 2 8.216 8.216 8.206 0.010 19486 3015 1 11 . 1 1 3 3 SER N N 3 114.424 114.424 115.958 -1.534 19486 3016 1 11 . 1 1 3 3 SER HA H 3 4.357 4.357 4.673 -0.316 19486 3017 1 11 . 1 1 3 3 SER C C 3 169.812 169.812 173.301 -3.489 19486 3018 1 11 . 1 1 3 3 SER CA C 3 58.382 58.382 58.160 0.222 19486 3019 1 11 . 1 1 3 3 SER CB C 3 64.088 64.088 65.050 -0.962 19486 3020 1 11 . 1 1 3 3 SER H H 3 7.996 7.996 8.287 -0.291 19486 3021 1 11 . 1 1 4 4 HIS N N 4 122.476 122.476 125.716 -3.240 19486 3022 1 11 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.470 0.138 19486 3023 1 11 . 1 1 4 4 HIS C C 4 170.682 170.682 174.546 -3.864 19486 3024 1 11 . 1 1 4 4 HIS CA C 4 55.362 55.362 56.754 -1.392 19486 3025 1 11 . 1 1 4 4 HIS CB C 4 30.816 30.816 29.702 1.114 19486 3026 1 11 . 1 1 4 4 HIS H H 4 8.315 8.315 8.855 -0.540 19486 3027 1 11 . 1 1 5 5 LYS N N 5 125.975 125.975 124.788 1.187 19486 3028 1 11 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.431 0.324 19486 3029 1 11 . 1 1 5 5 LYS C C 5 172.684 172.684 175.898 -3.214 19486 3030 1 11 . 1 1 5 5 LYS CA C 5 55.663 55.663 55.444 0.219 19486 3031 1 11 . 1 1 5 5 LYS CB C 5 35.248 35.248 34.271 0.977 19486 3032 1 11 . 1 1 5 5 LYS H H 5 8.655 8.655 7.856 0.799 19486 3033 1 11 . 1 1 6 6 CYS N N 6 127.588 127.588 126.019 1.569 19486 3034 1 11 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.684 -0.228 19486 3035 1 11 . 1 1 6 6 CYS C C 6 175.723 175.723 175.473 0.250 19486 3036 1 11 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.855 1.363 19486 3037 1 11 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.065 3.648 19486 3038 1 11 . 1 1 6 6 CYS H H 6 9.046 9.046 8.622 0.424 19486 3039 1 11 . 1 1 7 7 ASN N N 7 128.450 128.450 126.753 1.697 19486 3040 1 11 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.354 0.254 19486 3041 1 11 . 1 1 7 7 ASN C C 7 172.781 172.781 175.932 -3.151 19486 3042 1 11 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.489 -1.471 19486 3043 1 11 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.336 -0.195 19486 3044 1 11 . 1 1 7 7 ASN H H 7 9.075 9.075 8.802 0.273 19486 3045 1 11 . 1 1 8 8 VAL N N 8 123.473 123.473 117.068 6.405 19486 3046 1 11 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.769 0.036 19486 3047 1 11 . 1 1 8 8 VAL C C 8 176.694 176.694 177.196 -0.502 19486 3048 1 11 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.150 0.876 19486 3049 1 11 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.102 1.860 19486 3050 1 11 . 1 1 8 8 VAL H H 8 9.223 9.223 8.279 0.944 19486 3051 1 11 . 1 1 9 9 CYS N N 9 118.379 118.379 117.060 1.319 19486 3052 1 11 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.446 0.713 19486 3053 1 11 . 1 1 9 9 CYS C C 9 173.754 173.754 175.245 -1.491 19486 3054 1 11 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.457 -1.005 19486 3055 1 11 . 1 1 9 9 CYS CB C 9 32.344 32.344 27.976 4.368 19486 3056 1 11 . 1 1 9 9 CYS H H 9 8.457 8.457 8.119 0.338 19486 3057 1 11 . 1 1 10 10 SER N N 10 114.054 114.054 110.096 3.958 19486 3058 1 11 . 1 1 10 10 SER HA H 10 4.260 4.260 4.061 0.199 19486 3059 1 11 . 1 1 10 10 SER C C 10 169.209 169.209 173.843 -4.634 19486 3060 1 11 . 1 1 10 10 SER CA C 10 61.286 61.286 60.133 1.153 19486 3061 1 11 . 1 1 10 10 SER CB C 10 62.173 62.173 62.102 0.071 19486 3062 1 11 . 1 1 10 10 SER H H 10 7.910 7.910 8.458 -0.548 19486 3063 1 11 . 1 1 11 11 ARG N N 11 122.514 122.514 119.686 2.828 19486 3064 1 11 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.716 -0.638 19486 3065 1 11 . 1 1 11 11 ARG C C 11 172.193 172.193 175.301 -3.108 19486 3066 1 11 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.959 2.930 19486 3067 1 11 . 1 1 11 11 ARG CB C 11 31.569 31.569 32.829 -1.260 19486 3068 1 11 . 1 1 11 11 ARG H H 11 8.047 8.047 7.940 0.107 19486 3069 1 11 . 1 1 12 12 THR N N 12 111.399 111.399 111.927 -0.528 19486 3070 1 11 . 1 1 12 12 THR HA H 12 4.896 4.896 4.638 0.258 19486 3071 1 11 . 1 1 12 12 THR C C 12 168.910 168.910 174.553 -5.643 19486 3072 1 11 . 1 1 12 12 THR CA C 12 60.396 60.396 59.867 0.529 19486 3073 1 11 . 1 1 12 12 THR CB C 12 71.239 71.239 69.952 1.287 19486 3074 1 11 . 1 1 12 12 THR H H 12 7.716 7.716 8.122 -0.406 19486 3075 1 11 . 1 1 13 13 PHE N N 13 118.814 118.814 120.950 -2.136 19486 3076 1 11 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.627 -0.187 19486 3077 1 11 . 1 1 13 13 PHE C C 13 173.256 173.256 175.309 -2.053 19486 3078 1 11 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.827 0.752 19486 3079 1 11 . 1 1 13 13 PHE CB C 13 43.109 43.109 38.815 4.294 19486 3080 1 11 . 1 1 13 13 PHE H H 13 8.527 8.527 8.301 0.226 19486 3081 1 11 . 1 1 14 14 PHE N N 14 119.476 119.476 120.147 -0.671 19486 3082 1 11 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.977 -0.177 19486 3083 1 11 . 1 1 14 14 PHE C C 14 173.255 173.255 175.685 -2.430 19486 3084 1 11 . 1 1 14 14 PHE CA C 14 59.206 59.206 59.047 0.159 19486 3085 1 11 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.928 -0.492 19486 3086 1 11 . 1 1 14 14 PHE H H 14 8.975 8.975 8.860 0.115 19486 3087 1 11 . 1 1 15 15 SER N N 15 111.316 111.316 116.224 -4.908 19486 3088 1 11 . 1 1 15 15 SER HA H 15 4.573 4.573 4.627 -0.054 19486 3089 1 11 . 1 1 15 15 SER C C 15 169.172 169.172 174.753 -5.581 19486 3090 1 11 . 1 1 15 15 SER CA C 15 55.948 55.948 57.265 -1.317 19486 3091 1 11 . 1 1 15 15 SER CB C 15 67.029 67.029 66.267 0.761 19486 3092 1 11 . 1 1 15 15 SER H H 15 7.813 7.813 8.152 -0.339 19486 3093 1 11 . 1 1 16 16 GLU N N 16 123.055 123.055 120.767 2.288 19486 3094 1 11 . 1 1 16 16 GLU HA H 16 3.420 3.420 3.019 0.401 19486 3095 1 11 . 1 1 16 16 GLU C C 16 179.932 179.932 177.715 2.217 19486 3096 1 11 . 1 1 16 16 GLU CA C 16 59.294 59.294 58.786 0.508 19486 3097 1 11 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.096 -0.059 19486 3098 1 11 . 1 1 16 16 GLU H H 16 8.755 8.755 8.843 -0.088 19486 3099 1 11 . 1 1 17 17 ASN N N 17 117.537 117.537 117.166 0.371 19486 3100 1 11 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.529 -0.244 19486 3101 1 11 . 1 1 17 17 ASN C C 17 177.403 177.403 177.551 -0.148 19486 3102 1 11 . 1 1 17 17 ASN CA C 17 56.444 56.444 54.605 1.839 19486 3103 1 11 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.451 0.503 19486 3104 1 11 . 1 1 17 17 ASN H H 17 8.548 8.548 8.522 0.026 19486 3105 1 11 . 1 1 18 18 GLY N N 18 108.587 108.587 110.149 -1.562 19486 3106 1 11 . 1 1 18 18 GLY C C 18 175.491 175.491 176.212 -0.721 19486 3107 1 11 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.941 -0.252 19486 3108 1 11 . 1 1 18 18 GLY H H 18 8.038 8.038 7.607 0.431 19486 3109 1 11 . 1 1 19 19 LEU N N 19 123.120 123.120 122.370 0.750 19486 3110 1 11 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.331 -1.114 19486 3111 1 11 . 1 1 19 19 LEU C C 19 176.975 176.975 178.533 -1.558 19486 3112 1 11 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.397 0.377 19486 3113 1 11 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.640 -0.745 19486 3114 1 11 . 1 1 19 19 LEU H H 19 7.240 7.240 7.472 -0.232 19486 3115 1 11 . 1 1 20 20 ARG N N 20 119.506 119.506 117.491 2.015 19486 3116 1 11 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.970 -0.186 19486 3117 1 11 . 1 1 20 20 ARG C C 20 181.705 181.705 178.780 2.925 19486 3118 1 11 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.223 2.160 19486 3119 1 11 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.303 0.624 19486 3120 1 11 . 1 1 20 20 ARG H H 20 8.426 8.426 7.373 1.053 19486 3121 1 11 . 1 1 21 21 GLU N N 21 117.954 117.954 118.584 -0.630 19486 3122 1 11 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.121 -0.181 19486 3123 1 11 . 1 1 21 21 GLU C C 21 180.973 180.973 179.210 1.763 19486 3124 1 11 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.931 0.224 19486 3125 1 11 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.867 -0.245 19486 3126 1 11 . 1 1 21 21 GLU H H 21 7.961 7.961 8.155 -0.194 19486 3127 1 11 . 1 1 22 22 HIS N N 22 119.084 119.084 120.204 -1.120 19486 3128 1 11 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.343 -0.107 19486 3129 1 11 . 1 1 22 22 HIS C C 22 179.182 179.182 177.269 1.913 19486 3130 1 11 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.924 -0.064 19486 3131 1 11 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.921 -1.662 19486 3132 1 11 . 1 1 22 22 HIS H H 22 7.434 7.434 8.023 -0.589 19486 3133 1 11 . 1 1 23 23 LEU N N 23 122.153 122.153 119.828 2.325 19486 3134 1 11 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.208 -0.443 19486 3135 1 11 . 1 1 23 23 LEU C C 23 181.265 181.265 178.570 2.695 19486 3136 1 11 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.305 1.282 19486 3137 1 11 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.623 0.217 19486 3138 1 11 . 1 1 23 23 LEU H H 23 8.835 8.835 8.032 0.803 19486 3139 1 11 . 1 1 24 24 GLN N N 24 115.740 115.740 117.067 -1.327 19486 3140 1 11 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.027 -0.019 19486 3141 1 11 . 1 1 24 24 GLN C C 24 178.454 178.454 177.960 0.494 19486 3142 1 11 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.083 -0.113 19486 3143 1 11 . 1 1 24 24 GLN CB C 24 28.431 28.431 27.932 0.499 19486 3144 1 11 . 1 1 24 24 GLN H H 24 7.142 7.142 7.726 -0.584 19486 3145 1 11 . 1 1 25 25 THR N N 25 109.376 109.376 109.398 -0.022 19486 3146 1 11 . 1 1 25 25 THR HA H 25 4.129 4.129 3.953 0.176 19486 3147 1 11 . 1 1 25 25 THR C C 25 173.471 173.471 175.315 -1.844 19486 3148 1 11 . 1 1 25 25 THR CA C 25 63.754 63.754 63.953 -0.199 19486 3149 1 11 . 1 1 25 25 THR CB C 25 69.467 69.467 68.372 1.095 19486 3150 1 11 . 1 1 25 25 THR H H 25 7.801 7.801 7.477 0.324 19486 3151 1 11 . 1 1 26 26 HIS N N 26 118.158 118.158 118.180 -0.022 19486 3152 1 11 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.805 0.086 19486 3153 1 11 . 1 1 26 26 HIS C C 26 171.847 171.847 175.587 -3.740 19486 3154 1 11 . 1 1 26 26 HIS CA C 26 55.083 55.083 56.965 -1.882 19486 3155 1 11 . 1 1 26 26 HIS CB C 26 28.686 28.686 31.598 -2.912 19486 3156 1 11 . 1 1 26 26 HIS H H 26 7.095 7.095 7.665 -0.570 19486 3157 1 11 . 1 1 27 27 ARG N N 27 120.083 120.083 120.461 -0.378 19486 3158 1 11 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.645 -0.245 19486 3159 1 11 . 1 1 27 27 ARG C C 27 175.194 175.194 176.958 -1.764 19486 3160 1 11 . 1 1 27 27 ARG CA C 27 56.387 56.387 55.812 0.575 19486 3161 1 11 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.684 0.576 19486 3162 1 11 . 1 1 27 27 ARG H H 27 7.630 7.630 7.590 0.040 19486 3163 1 11 . 1 1 28 28 GLY N N 28 109.773 109.773 110.805 -1.032 19486 3164 1 11 . 1 1 28 28 GLY CA C 28 44.632 44.632 43.847 0.785 19486 3165 1 11 . 1 1 28 28 GLY H H 28 8.217 8.217 7.551 0.666 19486 3166 1 11 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.326 0.061 19486 3167 1 11 . 1 1 29 29 PRO C C 29 176.069 176.069 175.705 0.364 19486 3168 1 11 . 1 1 29 29 PRO CA C 29 63.030 63.030 63.293 -0.263 19486 3169 1 11 . 1 1 29 29 PRO CB C 29 32.227 32.227 31.892 0.335 19486 3170 1 11 . 1 1 30 30 ALA N N 30 124.277 124.277 126.732 -2.455 19486 3171 1 11 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.309 -0.118 19486 3172 1 11 . 1 1 30 30 ALA C C 30 177.466 177.466 176.795 0.671 19486 3173 1 11 . 1 1 30 30 ALA CA C 30 52.423 52.423 50.928 1.495 19486 3174 1 11 . 1 1 30 30 ALA CB C 30 19.185 19.185 19.727 -0.542 19486 3175 1 11 . 1 1 30 30 ALA H H 30 8.312 8.312 8.080 0.232 19486 3176 1 11 . 1 1 31 31 LYS N N 31 120.503 120.503 125.667 -5.164 19486 3177 1 11 . 1 1 31 31 LYS HA H 31 4.153 4.153 3.786 0.367 19486 3178 1 11 . 1 1 31 31 LYS C C 31 173.444 173.444 176.058 -2.614 19486 3179 1 11 . 1 1 31 31 LYS CA C 31 55.970 55.970 57.004 -1.034 19486 3180 1 11 . 1 1 31 31 LYS CB C 31 33.189 33.189 30.729 2.460 19486 3181 1 11 . 1 1 31 31 LYS H H 31 8.160 8.160 8.471 -0.311 19486 3182 1 11 . 1 1 32 32 HIS N N 32 118.745 118.745 120.653 -1.908 19486 3183 1 11 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.020 0.622 19486 3184 1 11 . 1 1 32 32 HIS C C 32 171.199 171.199 174.929 -3.730 19486 3185 1 11 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.165 0.476 19486 3186 1 11 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.556 1.737 19486 3187 1 11 . 1 1 32 32 HIS H H 32 7.888 7.888 7.679 0.209 19486 3188 1 11 . 1 1 33 33 TYR N N 33 120.158 120.158 116.556 3.602 19486 3189 1 11 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.849 -0.305 19486 3190 1 11 . 1 1 33 33 TYR C C 33 172.174 172.174 174.096 -1.922 19486 3191 1 11 . 1 1 33 33 TYR CA C 33 57.776 57.776 56.279 1.497 19486 3192 1 11 . 1 1 33 33 TYR CB C 33 39.394 39.394 37.757 1.637 19486 3193 1 11 . 1 1 33 33 TYR H H 33 8.672 8.672 8.320 0.352 19486 3194 1 11 . 1 1 34 34 MET N N 34 123.629 123.629 124.291 -0.662 19486 3195 1 11 . 1 1 34 34 MET HA H 34 5.113 5.113 5.081 0.032 19486 3196 1 11 . 1 1 34 34 MET C C 34 172.661 172.661 175.048 -2.387 19486 3197 1 11 . 1 1 34 34 MET CA C 34 54.285 54.285 53.970 0.315 19486 3198 1 11 . 1 1 34 34 MET CB C 34 35.606 35.606 34.904 0.702 19486 3199 1 11 . 1 1 34 34 MET H H 34 8.770 8.770 8.021 0.749 19486 3200 1 11 . 1 1 35 35 CYS N N 35 128.648 128.648 127.823 0.825 19486 3201 1 11 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.670 0.144 19486 3202 1 11 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.961 -0.732 19486 3203 1 11 . 1 1 35 35 CYS CB C 35 30.413 30.413 28.207 2.206 19486 3204 1 11 . 1 1 35 35 CYS H H 35 9.412 9.412 8.712 0.700 19486 3205 1 11 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.330 0.197 19486 3206 1 11 . 1 1 36 36 PRO C C 36 175.359 175.359 177.010 -1.651 19486 3207 1 11 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.138 -1.008 19486 3208 1 11 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.887 0.440 19486 3209 1 11 . 1 1 37 37 ILE N N 37 121.680 121.680 118.525 3.155 19486 3210 1 11 . 1 1 37 37 ILE HA H 37 3.906 3.906 4.011 -0.105 19486 3211 1 11 . 1 1 37 37 ILE C C 37 176.316 176.316 177.558 -1.242 19486 3212 1 11 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.851 0.309 19486 3213 1 11 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.450 -0.117 19486 3214 1 11 . 1 1 37 37 ILE H H 37 8.802 8.802 8.168 0.634 19486 3215 1 11 . 1 1 38 38 CYS N N 38 115.962 115.962 114.356 1.606 19486 3216 1 11 . 1 1 38 38 CYS HA H 38 5.137 5.137 5.007 0.130 19486 3217 1 11 . 1 1 38 38 CYS C C 38 175.994 175.994 175.892 0.102 19486 3218 1 11 . 1 1 38 38 CYS CA C 38 58.260 58.260 57.373 0.886 19486 3219 1 11 . 1 1 38 38 CYS CB C 38 32.806 32.806 29.556 3.250 19486 3220 1 11 . 1 1 38 38 CYS H H 38 8.070 8.070 8.071 -0.001 19486 3221 1 11 . 1 1 39 39 GLY N N 39 113.286 113.286 111.625 1.661 19486 3222 1 11 . 1 1 39 39 GLY C C 39 169.495 169.495 174.559 -5.064 19486 3223 1 11 . 1 1 39 39 GLY CA C 39 46.446 46.446 46.031 0.415 19486 3224 1 11 . 1 1 39 39 GLY H H 39 8.113 8.113 8.036 0.077 19486 3225 1 11 . 1 1 40 40 GLU N N 40 122.500 122.500 119.752 2.748 19486 3226 1 11 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.255 -0.227 19486 3227 1 11 . 1 1 40 40 GLU C C 40 171.486 171.486 176.291 -4.805 19486 3228 1 11 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.713 1.006 19486 3229 1 11 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.313 0.121 19486 3230 1 11 . 1 1 40 40 GLU H H 40 8.119 8.119 7.898 0.221 19486 3231 1 11 . 1 1 41 41 ARG N N 41 120.904 120.904 120.601 0.303 19486 3232 1 11 . 1 1 41 41 ARG HA H 41 4.938 4.938 5.282 -0.344 19486 3233 1 11 . 1 1 41 41 ARG C C 41 173.428 173.428 175.287 -1.859 19486 3234 1 11 . 1 1 41 41 ARG CA C 41 55.153 55.153 54.821 0.332 19486 3235 1 11 . 1 1 41 41 ARG CB C 41 32.810 32.810 32.440 0.370 19486 3236 1 11 . 1 1 41 41 ARG H H 41 8.051 8.051 8.309 -0.258 19486 3237 1 11 . 1 1 42 42 PHE N N 42 119.481 119.481 123.019 -3.538 19486 3238 1 11 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.806 -0.118 19486 3239 1 11 . 1 1 42 42 PHE CA C 42 56.737 56.737 54.904 1.833 19486 3240 1 11 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.491 0.485 19486 3241 1 11 . 1 1 42 42 PHE H H 42 8.856 8.856 8.181 0.675 19486 3242 1 11 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.130 0.659 19486 3243 1 11 . 1 1 43 43 PRO C C 43 174.319 174.319 175.913 -1.594 19486 3244 1 11 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.574 0.092 19486 3245 1 11 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.127 0.676 19486 3246 1 11 . 1 1 44 44 SER N N 44 110.500 110.500 111.497 -0.997 19486 3247 1 11 . 1 1 44 44 SER HA H 44 4.601 4.601 4.520 0.081 19486 3248 1 11 . 1 1 44 44 SER C C 44 166.956 166.956 172.565 -5.609 19486 3249 1 11 . 1 1 44 44 SER CA C 44 55.700 55.700 56.654 -0.954 19486 3250 1 11 . 1 1 44 44 SER CB C 44 67.018 67.018 65.541 1.477 19486 3251 1 11 . 1 1 44 44 SER H H 44 7.246 7.246 7.478 -0.232 19486 3252 1 11 . 1 1 45 45 LEU N N 45 122.780 122.780 122.911 -0.131 19486 3253 1 11 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.593 -1.088 19486 3254 1 11 . 1 1 45 45 LEU C C 45 181.968 181.968 175.210 6.758 19486 3255 1 11 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.472 2.800 19486 3256 1 11 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.679 0.498 19486 3257 1 11 . 1 1 45 45 LEU H H 45 8.272 8.272 8.930 -0.658 19486 3258 1 11 . 1 1 46 46 LEU N N 46 121.552 121.552 117.287 4.265 19486 3259 1 11 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.571 -0.537 19486 3260 1 11 . 1 1 46 46 LEU C C 46 180.359 180.359 177.961 2.398 19486 3261 1 11 . 1 1 46 46 LEU CA C 46 58.636 58.636 55.843 2.793 19486 3262 1 11 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.948 -1.833 19486 3263 1 11 . 1 1 46 46 LEU H H 46 8.289 8.289 7.635 0.654 19486 3264 1 11 . 1 1 47 47 THR N N 47 109.081 109.081 115.626 -6.545 19486 3265 1 11 . 1 1 47 47 THR HA H 47 3.980 3.980 4.260 -0.280 19486 3266 1 11 . 1 1 47 47 THR C C 47 179.649 179.649 176.248 3.401 19486 3267 1 11 . 1 1 47 47 THR CA C 47 65.057 65.057 65.511 -0.454 19486 3268 1 11 . 1 1 47 47 THR CB C 47 69.160 69.160 68.786 0.374 19486 3269 1 11 . 1 1 47 47 THR H H 47 7.456 7.456 7.897 -0.441 19486 3270 1 11 . 1 1 48 48 LEU N N 48 124.194 124.194 121.730 2.464 19486 3271 1 11 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.713 -0.444 19486 3272 1 11 . 1 1 48 48 LEU C C 48 178.335 178.335 178.035 0.300 19486 3273 1 11 . 1 1 48 48 LEU CA C 48 58.381 58.381 57.956 0.425 19486 3274 1 11 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.342 -0.475 19486 3275 1 11 . 1 1 48 48 LEU H H 48 7.582 7.582 7.442 0.140 19486 3276 1 11 . 1 1 49 49 THR N N 49 117.072 117.072 114.906 2.166 19486 3277 1 11 . 1 1 49 49 THR HA H 49 3.645 3.645 3.929 -0.284 19486 3278 1 11 . 1 1 49 49 THR C C 49 175.471 175.471 176.446 -0.975 19486 3279 1 11 . 1 1 49 49 THR CA C 49 67.720 67.720 67.407 0.313 19486 3280 1 11 . 1 1 49 49 THR CB C 49 68.791 68.791 68.475 0.316 19486 3281 1 11 . 1 1 49 49 THR H H 49 8.558 8.558 7.907 0.651 19486 3282 1 11 . 1 1 50 50 GLU N N 50 120.004 120.004 121.366 -1.362 19486 3283 1 11 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.880 0.049 19486 3284 1 11 . 1 1 50 50 GLU C C 50 179.081 179.081 178.781 0.300 19486 3285 1 11 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.287 -0.157 19486 3286 1 11 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.578 0.106 19486 3287 1 11 . 1 1 50 50 GLU H H 50 7.966 7.966 7.697 0.269 19486 3288 1 11 . 1 1 51 51 HIS N N 51 117.288 117.288 119.166 -1.878 19486 3289 1 11 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.087 0.162 19486 3290 1 11 . 1 1 51 51 HIS C C 51 178.240 178.240 176.599 1.641 19486 3291 1 11 . 1 1 51 51 HIS CA C 51 58.486 58.486 59.034 -0.548 19486 3292 1 11 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.523 -1.459 19486 3293 1 11 . 1 1 51 51 HIS H H 51 7.377 7.377 7.841 -0.464 19486 3294 1 11 . 1 1 52 52 LYS N N 52 120.729 120.729 118.237 2.492 19486 3295 1 11 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.008 -0.330 19486 3296 1 11 . 1 1 52 52 LYS C C 52 178.361 178.361 179.083 -0.722 19486 3297 1 11 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.289 1.364 19486 3298 1 11 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.466 -0.006 19486 3299 1 11 . 1 1 52 52 LYS H H 52 8.572 8.572 7.535 1.037 19486 3300 1 11 . 1 1 53 53 VAL N N 53 112.220 112.220 114.656 -2.436 19486 3301 1 11 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.015 0.084 19486 3302 1 11 . 1 1 53 53 VAL C C 53 175.078 175.078 177.883 -2.805 19486 3303 1 11 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.746 -1.306 19486 3304 1 11 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.933 -0.546 19486 3305 1 11 . 1 1 53 53 VAL H H 53 6.940 6.940 7.494 -0.554 19486 3306 1 11 . 1 1 54 54 THR N N 54 110.466 110.466 113.607 -3.141 19486 3307 1 11 . 1 1 54 54 THR HA H 54 4.135 4.135 4.291 -0.156 19486 3308 1 11 . 1 1 54 54 THR C C 54 171.847 171.847 174.737 -2.890 19486 3309 1 11 . 1 1 54 54 THR CA C 54 63.056 63.056 61.078 1.978 19486 3310 1 11 . 1 1 54 54 THR CB C 54 69.595 69.595 67.686 1.909 19486 3311 1 11 . 1 1 54 54 THR H H 54 7.581 7.581 7.551 0.030 19486 3312 1 12 . 1 1 2 2 GLY N N 2 110.487 110.487 109.865 0.622 19486 3313 1 12 . 1 1 2 2 GLY C C 2 169.148 169.148 172.952 -3.804 19486 3314 1 12 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.212 0.867 19486 3315 1 12 . 1 1 2 2 GLY H H 2 8.216 8.216 8.181 0.035 19486 3316 1 12 . 1 1 3 3 SER N N 3 114.424 114.424 117.616 -3.192 19486 3317 1 12 . 1 1 3 3 SER HA H 3 4.357 4.357 4.627 -0.270 19486 3318 1 12 . 1 1 3 3 SER C C 3 169.812 169.812 173.419 -3.607 19486 3319 1 12 . 1 1 3 3 SER CA C 3 58.382 58.382 57.435 0.947 19486 3320 1 12 . 1 1 3 3 SER CB C 3 64.088 64.088 65.211 -1.123 19486 3321 1 12 . 1 1 3 3 SER H H 3 7.996 7.996 8.054 -0.058 19486 3322 1 12 . 1 1 4 4 HIS N N 4 122.476 122.476 123.982 -1.506 19486 3323 1 12 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.411 0.197 19486 3324 1 12 . 1 1 4 4 HIS C C 4 170.682 170.682 174.515 -3.833 19486 3325 1 12 . 1 1 4 4 HIS CA C 4 55.362 55.362 56.433 -1.071 19486 3326 1 12 . 1 1 4 4 HIS CB C 4 30.816 30.816 30.636 0.180 19486 3327 1 12 . 1 1 4 4 HIS H H 4 8.315 8.315 8.205 0.110 19486 3328 1 12 . 1 1 5 5 LYS N N 5 125.975 125.975 123.722 2.253 19486 3329 1 12 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.485 0.270 19486 3330 1 12 . 1 1 5 5 LYS C C 5 172.684 172.684 175.753 -3.069 19486 3331 1 12 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.767 0.896 19486 3332 1 12 . 1 1 5 5 LYS CB C 5 35.248 35.248 34.790 0.458 19486 3333 1 12 . 1 1 5 5 LYS H H 5 8.655 8.655 8.268 0.387 19486 3334 1 12 . 1 1 6 6 CYS N N 6 127.588 127.588 126.478 1.110 19486 3335 1 12 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.689 -0.233 19486 3336 1 12 . 1 1 6 6 CYS C C 6 175.723 175.723 175.864 -0.141 19486 3337 1 12 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.528 1.690 19486 3338 1 12 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.463 3.250 19486 3339 1 12 . 1 1 6 6 CYS H H 6 9.046 9.046 8.753 0.293 19486 3340 1 12 . 1 1 7 7 ASN N N 7 128.450 128.450 126.695 1.755 19486 3341 1 12 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.485 0.123 19486 3342 1 12 . 1 1 7 7 ASN C C 7 172.781 172.781 176.017 -3.236 19486 3343 1 12 . 1 1 7 7 ASN CA C 7 55.018 55.018 55.869 -0.851 19486 3344 1 12 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.276 -0.135 19486 3345 1 12 . 1 1 7 7 ASN H H 7 9.075 9.075 9.005 0.070 19486 3346 1 12 . 1 1 8 8 VAL N N 8 123.473 123.473 118.660 4.813 19486 3347 1 12 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.744 0.061 19486 3348 1 12 . 1 1 8 8 VAL C C 8 176.694 176.694 177.501 -0.807 19486 3349 1 12 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.838 0.188 19486 3350 1 12 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.050 1.912 19486 3351 1 12 . 1 1 8 8 VAL H H 8 9.223 9.223 8.254 0.969 19486 3352 1 12 . 1 1 9 9 CYS N N 9 118.379 118.379 116.685 1.694 19486 3353 1 12 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.466 0.693 19486 3354 1 12 . 1 1 9 9 CYS C C 9 173.754 173.754 176.011 -2.257 19486 3355 1 12 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.747 -1.295 19486 3356 1 12 . 1 1 9 9 CYS CB C 9 32.344 32.344 27.859 4.485 19486 3357 1 12 . 1 1 9 9 CYS H H 9 8.457 8.457 8.005 0.452 19486 3358 1 12 . 1 1 10 10 SER N N 10 114.054 114.054 110.779 3.275 19486 3359 1 12 . 1 1 10 10 SER HA H 10 4.260 4.260 4.087 0.173 19486 3360 1 12 . 1 1 10 10 SER C C 10 169.209 169.209 173.851 -4.642 19486 3361 1 12 . 1 1 10 10 SER CA C 10 61.286 61.286 60.139 1.147 19486 3362 1 12 . 1 1 10 10 SER CB C 10 62.173 62.173 61.377 0.796 19486 3363 1 12 . 1 1 10 10 SER H H 10 7.910 7.910 8.392 -0.482 19486 3364 1 12 . 1 1 11 11 ARG N N 11 122.514 122.514 120.781 1.733 19486 3365 1 12 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.706 -0.628 19486 3366 1 12 . 1 1 11 11 ARG C C 11 172.193 172.193 175.438 -3.245 19486 3367 1 12 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.052 3.837 19486 3368 1 12 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.784 -0.215 19486 3369 1 12 . 1 1 11 11 ARG H H 11 8.047 8.047 8.107 -0.060 19486 3370 1 12 . 1 1 12 12 THR N N 12 111.399 111.399 114.152 -2.753 19486 3371 1 12 . 1 1 12 12 THR HA H 12 4.896 4.896 4.608 0.288 19486 3372 1 12 . 1 1 12 12 THR C C 12 168.910 168.910 173.492 -4.582 19486 3373 1 12 . 1 1 12 12 THR CA C 12 60.396 60.396 60.141 0.255 19486 3374 1 12 . 1 1 12 12 THR CB C 12 71.239 71.239 70.126 1.113 19486 3375 1 12 . 1 1 12 12 THR H H 12 7.716 7.716 8.204 -0.488 19486 3376 1 12 . 1 1 13 13 PHE N N 13 118.814 118.814 126.494 -7.680 19486 3377 1 12 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.673 -0.233 19486 3378 1 12 . 1 1 13 13 PHE C C 13 173.256 173.256 175.516 -2.260 19486 3379 1 12 . 1 1 13 13 PHE CA C 13 57.579 57.579 57.725 -0.146 19486 3380 1 12 . 1 1 13 13 PHE CB C 13 43.109 43.109 40.344 2.765 19486 3381 1 12 . 1 1 13 13 PHE H H 13 8.527 8.527 8.575 -0.048 19486 3382 1 12 . 1 1 14 14 PHE N N 14 119.476 119.476 122.645 -3.169 19486 3383 1 12 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.279 0.521 19486 3384 1 12 . 1 1 14 14 PHE C C 14 173.255 173.255 174.757 -1.502 19486 3385 1 12 . 1 1 14 14 PHE CA C 14 59.206 59.206 60.041 -0.835 19486 3386 1 12 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.490 -0.054 19486 3387 1 12 . 1 1 14 14 PHE H H 14 8.975 8.975 7.866 1.109 19486 3388 1 12 . 1 1 15 15 SER N N 15 111.316 111.316 110.970 0.346 19486 3389 1 12 . 1 1 15 15 SER HA H 15 4.573 4.573 4.672 -0.099 19486 3390 1 12 . 1 1 15 15 SER C C 15 169.172 169.172 174.600 -5.428 19486 3391 1 12 . 1 1 15 15 SER CA C 15 55.948 55.948 56.489 -0.541 19486 3392 1 12 . 1 1 15 15 SER CB C 15 67.029 67.029 64.652 2.377 19486 3393 1 12 . 1 1 15 15 SER H H 15 7.813 7.813 7.964 -0.151 19486 3394 1 12 . 1 1 16 16 GLU N N 16 123.055 123.055 122.337 0.718 19486 3395 1 12 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.444 -1.024 19486 3396 1 12 . 1 1 16 16 GLU C C 16 179.932 179.932 177.667 2.265 19486 3397 1 12 . 1 1 16 16 GLU CA C 16 59.294 59.294 58.193 1.101 19486 3398 1 12 . 1 1 16 16 GLU CB C 16 29.038 29.038 30.062 -1.024 19486 3399 1 12 . 1 1 16 16 GLU H H 16 8.755 8.755 8.932 -0.177 19486 3400 1 12 . 1 1 17 17 ASN N N 17 117.537 117.537 119.497 -1.960 19486 3401 1 12 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.611 -0.326 19486 3402 1 12 . 1 1 17 17 ASN C C 17 177.403 177.403 177.550 -0.147 19486 3403 1 12 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.853 0.591 19486 3404 1 12 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.990 -0.036 19486 3405 1 12 . 1 1 17 17 ASN H H 17 8.548 8.548 8.044 0.504 19486 3406 1 12 . 1 1 18 18 GLY N N 18 108.587 108.587 108.509 0.078 19486 3407 1 12 . 1 1 18 18 GLY C C 18 175.491 175.491 175.727 -0.236 19486 3408 1 12 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.310 0.379 19486 3409 1 12 . 1 1 18 18 GLY H H 18 8.038 8.038 8.266 -0.228 19486 3410 1 12 . 1 1 19 19 LEU N N 19 123.120 123.120 122.225 0.895 19486 3411 1 12 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.086 -0.869 19486 3412 1 12 . 1 1 19 19 LEU C C 19 176.975 176.975 178.537 -1.562 19486 3413 1 12 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.396 0.378 19486 3414 1 12 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.680 -0.785 19486 3415 1 12 . 1 1 19 19 LEU H H 19 7.240 7.240 7.368 -0.128 19486 3416 1 12 . 1 1 20 20 ARG N N 20 119.506 119.506 117.828 1.678 19486 3417 1 12 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.914 -0.130 19486 3418 1 12 . 1 1 20 20 ARG C C 20 181.705 181.705 179.075 2.630 19486 3419 1 12 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.729 1.654 19486 3420 1 12 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.404 0.523 19486 3421 1 12 . 1 1 20 20 ARG H H 20 8.426 8.426 7.735 0.691 19486 3422 1 12 . 1 1 21 21 GLU N N 21 117.954 117.954 118.650 -0.696 19486 3423 1 12 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.046 -0.106 19486 3424 1 12 . 1 1 21 21 GLU C C 21 180.973 180.973 178.798 2.175 19486 3425 1 12 . 1 1 21 21 GLU CA C 21 59.155 59.155 59.026 0.129 19486 3426 1 12 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.665 -0.043 19486 3427 1 12 . 1 1 21 21 GLU H H 21 7.961 7.961 7.919 0.042 19486 3428 1 12 . 1 1 22 22 HIS N N 22 119.084 119.084 119.037 0.047 19486 3429 1 12 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.339 -0.103 19486 3430 1 12 . 1 1 22 22 HIS C C 22 179.182 179.182 177.676 1.506 19486 3431 1 12 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.619 0.241 19486 3432 1 12 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.853 -1.594 19486 3433 1 12 . 1 1 22 22 HIS H H 22 7.434 7.434 7.627 -0.193 19486 3434 1 12 . 1 1 23 23 LEU N N 23 122.153 122.153 119.029 3.124 19486 3435 1 12 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.214 -0.449 19486 3436 1 12 . 1 1 23 23 LEU C C 23 181.265 181.265 178.595 2.670 19486 3437 1 12 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.127 1.460 19486 3438 1 12 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.778 0.062 19486 3439 1 12 . 1 1 23 23 LEU H H 23 8.835 8.835 8.035 0.800 19486 3440 1 12 . 1 1 24 24 GLN N N 24 115.740 115.740 117.475 -1.735 19486 3441 1 12 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.152 -0.144 19486 3442 1 12 . 1 1 24 24 GLN C C 24 178.454 178.454 177.937 0.517 19486 3443 1 12 . 1 1 24 24 GLN CA C 24 57.970 57.970 57.902 0.068 19486 3444 1 12 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.307 0.124 19486 3445 1 12 . 1 1 24 24 GLN H H 24 7.142 7.142 7.564 -0.422 19486 3446 1 12 . 1 1 25 25 THR N N 25 109.376 109.376 109.028 0.348 19486 3447 1 12 . 1 1 25 25 THR HA H 25 4.129 4.129 4.071 0.058 19486 3448 1 12 . 1 1 25 25 THR C C 25 173.471 173.471 175.438 -1.967 19486 3449 1 12 . 1 1 25 25 THR CA C 25 63.754 63.754 64.279 -0.525 19486 3450 1 12 . 1 1 25 25 THR CB C 25 69.467 69.467 68.308 1.159 19486 3451 1 12 . 1 1 25 25 THR H H 25 7.801 7.801 7.570 0.231 19486 3452 1 12 . 1 1 26 26 HIS N N 26 118.158 118.158 118.845 -0.687 19486 3453 1 12 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.665 0.226 19486 3454 1 12 . 1 1 26 26 HIS C C 26 171.847 171.847 176.371 -4.524 19486 3455 1 12 . 1 1 26 26 HIS CA C 26 55.083 55.083 58.081 -2.998 19486 3456 1 12 . 1 1 26 26 HIS CB C 26 28.686 28.686 30.995 -2.309 19486 3457 1 12 . 1 1 26 26 HIS H H 26 7.095 7.095 7.688 -0.593 19486 3458 1 12 . 1 1 27 27 ARG N N 27 120.083 120.083 119.661 0.422 19486 3459 1 12 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.537 -0.137 19486 3460 1 12 . 1 1 27 27 ARG C C 27 175.194 175.194 177.614 -2.420 19486 3461 1 12 . 1 1 27 27 ARG CA C 27 56.387 56.387 56.204 0.183 19486 3462 1 12 . 1 1 27 27 ARG CB C 27 31.260 31.260 31.167 0.093 19486 3463 1 12 . 1 1 27 27 ARG H H 27 7.630 7.630 7.615 0.015 19486 3464 1 12 . 1 1 28 28 GLY N N 28 109.773 109.773 110.885 -1.112 19486 3465 1 12 . 1 1 28 28 GLY CA C 28 44.632 44.632 43.848 0.784 19486 3466 1 12 . 1 1 28 28 GLY H H 28 8.217 8.217 7.988 0.229 19486 3467 1 12 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.355 0.032 19486 3468 1 12 . 1 1 29 29 PRO C C 29 176.069 176.069 175.756 0.313 19486 3469 1 12 . 1 1 29 29 PRO CA C 29 63.030 63.030 63.532 -0.502 19486 3470 1 12 . 1 1 29 29 PRO CB C 29 32.227 32.227 31.777 0.450 19486 3471 1 12 . 1 1 30 30 ALA N N 30 124.277 124.277 125.756 -1.479 19486 3472 1 12 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.384 -0.193 19486 3473 1 12 . 1 1 30 30 ALA C C 30 177.466 177.466 176.194 1.272 19486 3474 1 12 . 1 1 30 30 ALA CA C 30 52.423 52.423 51.800 0.623 19486 3475 1 12 . 1 1 30 30 ALA CB C 30 19.185 19.185 20.641 -1.456 19486 3476 1 12 . 1 1 30 30 ALA H H 30 8.312 8.312 7.902 0.410 19486 3477 1 12 . 1 1 31 31 LYS N N 31 120.503 120.503 121.563 -1.060 19486 3478 1 12 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.391 -0.238 19486 3479 1 12 . 1 1 31 31 LYS C C 31 173.444 173.444 176.187 -2.743 19486 3480 1 12 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.103 -0.133 19486 3481 1 12 . 1 1 31 31 LYS CB C 31 33.189 33.189 33.043 0.146 19486 3482 1 12 . 1 1 31 31 LYS H H 31 8.160 8.160 8.397 -0.237 19486 3483 1 12 . 1 1 32 32 HIS N N 32 118.745 118.745 117.801 0.944 19486 3484 1 12 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.960 -0.318 19486 3485 1 12 . 1 1 32 32 HIS C C 32 171.199 171.199 174.007 -2.808 19486 3486 1 12 . 1 1 32 32 HIS CA C 32 55.641 55.641 54.454 1.187 19486 3487 1 12 . 1 1 32 32 HIS CB C 32 32.293 32.293 31.317 0.976 19486 3488 1 12 . 1 1 32 32 HIS H H 32 7.888 7.888 7.898 -0.010 19486 3489 1 12 . 1 1 33 33 TYR N N 33 120.158 120.158 120.773 -0.615 19486 3490 1 12 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.650 -0.106 19486 3491 1 12 . 1 1 33 33 TYR C C 33 172.174 172.174 174.348 -2.174 19486 3492 1 12 . 1 1 33 33 TYR CA C 33 57.776 57.776 57.747 0.029 19486 3493 1 12 . 1 1 33 33 TYR CB C 33 39.394 39.394 39.729 -0.335 19486 3494 1 12 . 1 1 33 33 TYR H H 33 8.672 8.672 8.895 -0.223 19486 3495 1 12 . 1 1 34 34 MET N N 34 123.629 123.629 126.617 -2.988 19486 3496 1 12 . 1 1 34 34 MET HA H 34 5.113 5.113 5.004 0.109 19486 3497 1 12 . 1 1 34 34 MET C C 34 172.661 172.661 175.008 -2.347 19486 3498 1 12 . 1 1 34 34 MET CA C 34 54.285 54.285 54.250 0.035 19486 3499 1 12 . 1 1 34 34 MET CB C 34 35.606 35.606 34.823 0.783 19486 3500 1 12 . 1 1 34 34 MET H H 34 8.770 8.770 8.399 0.371 19486 3501 1 12 . 1 1 35 35 CYS N N 35 128.648 128.648 128.277 0.371 19486 3502 1 12 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.764 0.050 19486 3503 1 12 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.475 -0.246 19486 3504 1 12 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.427 2.986 19486 3505 1 12 . 1 1 35 35 CYS H H 35 9.412 9.412 8.604 0.808 19486 3506 1 12 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.311 0.216 19486 3507 1 12 . 1 1 36 36 PRO C C 36 175.359 175.359 176.965 -1.606 19486 3508 1 12 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.192 -1.062 19486 3509 1 12 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.913 0.413 19486 3510 1 12 . 1 1 37 37 ILE N N 37 121.680 121.680 117.359 4.321 19486 3511 1 12 . 1 1 37 37 ILE HA H 37 3.906 3.906 4.038 -0.132 19486 3512 1 12 . 1 1 37 37 ILE C C 37 176.316 176.316 177.332 -1.016 19486 3513 1 12 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.695 0.465 19486 3514 1 12 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.404 -0.070 19486 3515 1 12 . 1 1 37 37 ILE H H 37 8.802 8.802 8.264 0.538 19486 3516 1 12 . 1 1 38 38 CYS N N 38 115.962 115.962 115.041 0.921 19486 3517 1 12 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.998 0.139 19486 3518 1 12 . 1 1 38 38 CYS C C 38 175.994 175.994 176.018 -0.024 19486 3519 1 12 . 1 1 38 38 CYS CA C 38 58.260 58.260 57.593 0.667 19486 3520 1 12 . 1 1 38 38 CYS CB C 38 32.806 32.806 29.781 3.025 19486 3521 1 12 . 1 1 38 38 CYS H H 38 8.070 8.070 8.005 0.065 19486 3522 1 12 . 1 1 39 39 GLY N N 39 113.286 113.286 111.659 1.627 19486 3523 1 12 . 1 1 39 39 GLY C C 39 169.495 169.495 174.266 -4.771 19486 3524 1 12 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.796 0.650 19486 3525 1 12 . 1 1 39 39 GLY H H 39 8.113 8.113 8.067 0.046 19486 3526 1 12 . 1 1 40 40 GLU N N 40 122.500 122.500 120.392 2.108 19486 3527 1 12 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.106 -0.078 19486 3528 1 12 . 1 1 40 40 GLU C C 40 171.486 171.486 176.332 -4.846 19486 3529 1 12 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.160 1.559 19486 3530 1 12 . 1 1 40 40 GLU CB C 40 30.434 30.434 29.021 1.413 19486 3531 1 12 . 1 1 40 40 GLU H H 40 8.119 8.119 7.953 0.166 19486 3532 1 12 . 1 1 41 41 ARG N N 41 120.904 120.904 124.890 -3.986 19486 3533 1 12 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.728 0.210 19486 3534 1 12 . 1 1 41 41 ARG C C 41 173.428 173.428 175.922 -2.494 19486 3535 1 12 . 1 1 41 41 ARG CA C 41 55.153 55.153 56.000 -0.847 19486 3536 1 12 . 1 1 41 41 ARG CB C 41 32.810 32.810 30.877 1.933 19486 3537 1 12 . 1 1 41 41 ARG H H 41 8.051 8.051 8.529 -0.478 19486 3538 1 12 . 1 1 42 42 PHE N N 42 119.481 119.481 124.931 -5.450 19486 3539 1 12 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.896 -0.208 19486 3540 1 12 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.401 1.337 19486 3541 1 12 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.225 0.751 19486 3542 1 12 . 1 1 42 42 PHE H H 42 8.856 8.856 8.371 0.485 19486 3543 1 12 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.198 0.591 19486 3544 1 12 . 1 1 43 43 PRO C C 43 174.319 174.319 176.219 -1.900 19486 3545 1 12 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.518 0.148 19486 3546 1 12 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.296 0.507 19486 3547 1 12 . 1 1 44 44 SER N N 44 110.500 110.500 113.304 -2.804 19486 3548 1 12 . 1 1 44 44 SER HA H 44 4.601 4.601 4.741 -0.140 19486 3549 1 12 . 1 1 44 44 SER C C 44 166.956 166.956 173.606 -6.650 19486 3550 1 12 . 1 1 44 44 SER CA C 44 55.700 55.700 56.885 -1.185 19486 3551 1 12 . 1 1 44 44 SER CB C 44 67.018 67.018 65.606 1.412 19486 3552 1 12 . 1 1 44 44 SER H H 44 7.246 7.246 7.650 -0.404 19486 3553 1 12 . 1 1 45 45 LEU N N 45 122.780 122.780 121.946 0.834 19486 3554 1 12 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.631 -1.126 19486 3555 1 12 . 1 1 45 45 LEU C C 45 181.968 181.968 176.196 5.772 19486 3556 1 12 . 1 1 45 45 LEU CA C 45 57.272 57.272 55.119 2.153 19486 3557 1 12 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.039 1.138 19486 3558 1 12 . 1 1 45 45 LEU H H 45 8.272 8.272 8.932 -0.660 19486 3559 1 12 . 1 1 46 46 LEU N N 46 121.552 121.552 118.658 2.894 19486 3560 1 12 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.536 -0.502 19486 3561 1 12 . 1 1 46 46 LEU C C 46 180.359 180.359 178.075 2.284 19486 3562 1 12 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.424 2.212 19486 3563 1 12 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.383 -1.268 19486 3564 1 12 . 1 1 46 46 LEU H H 46 8.289 8.289 7.664 0.625 19486 3565 1 12 . 1 1 47 47 THR N N 47 109.081 109.081 114.700 -5.619 19486 3566 1 12 . 1 1 47 47 THR HA H 47 3.980 3.980 4.216 -0.236 19486 3567 1 12 . 1 1 47 47 THR C C 47 179.649 179.649 176.297 3.352 19486 3568 1 12 . 1 1 47 47 THR CA C 47 65.057 65.057 65.161 -0.104 19486 3569 1 12 . 1 1 47 47 THR CB C 47 69.160 69.160 69.179 -0.019 19486 3570 1 12 . 1 1 47 47 THR H H 47 7.456 7.456 7.675 -0.219 19486 3571 1 12 . 1 1 48 48 LEU N N 48 124.194 124.194 122.157 2.037 19486 3572 1 12 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.611 -0.342 19486 3573 1 12 . 1 1 48 48 LEU C C 48 178.335 178.335 177.787 0.548 19486 3574 1 12 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.030 0.351 19486 3575 1 12 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.341 -0.474 19486 3576 1 12 . 1 1 48 48 LEU H H 48 7.582 7.582 7.418 0.164 19486 3577 1 12 . 1 1 49 49 THR N N 49 117.072 117.072 114.313 2.759 19486 3578 1 12 . 1 1 49 49 THR HA H 49 3.645 3.645 3.826 -0.181 19486 3579 1 12 . 1 1 49 49 THR C C 49 175.471 175.471 176.700 -1.229 19486 3580 1 12 . 1 1 49 49 THR CA C 49 67.720 67.720 67.312 0.408 19486 3581 1 12 . 1 1 49 49 THR CB C 49 68.791 68.791 68.367 0.424 19486 3582 1 12 . 1 1 49 49 THR H H 49 8.558 8.558 7.947 0.611 19486 3583 1 12 . 1 1 50 50 GLU N N 50 120.004 120.004 120.389 -0.385 19486 3584 1 12 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.951 -0.022 19486 3585 1 12 . 1 1 50 50 GLU C C 50 179.081 179.081 177.851 1.230 19486 3586 1 12 . 1 1 50 50 GLU CA C 50 59.130 59.130 58.882 0.248 19486 3587 1 12 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.588 0.096 19486 3588 1 12 . 1 1 50 50 GLU H H 50 7.966 7.966 7.759 0.207 19486 3589 1 12 . 1 1 51 51 HIS N N 51 117.288 117.288 118.229 -0.941 19486 3590 1 12 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.329 -0.080 19486 3591 1 12 . 1 1 51 51 HIS C C 51 178.240 178.240 176.969 1.271 19486 3592 1 12 . 1 1 51 51 HIS CA C 51 58.486 58.486 59.017 -0.531 19486 3593 1 12 . 1 1 51 51 HIS CB C 51 28.064 28.064 30.128 -2.064 19486 3594 1 12 . 1 1 51 51 HIS H H 51 7.377 7.377 7.475 -0.098 19486 3595 1 12 . 1 1 52 52 LYS N N 52 120.729 120.729 118.656 2.073 19486 3596 1 12 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.006 -0.328 19486 3597 1 12 . 1 1 52 52 LYS C C 52 178.361 178.361 179.109 -0.748 19486 3598 1 12 . 1 1 52 52 LYS CA C 52 60.653 60.653 58.868 1.785 19486 3599 1 12 . 1 1 52 52 LYS CB C 52 32.460 32.460 31.343 1.117 19486 3600 1 12 . 1 1 52 52 LYS H H 52 8.572 8.572 8.284 0.288 19486 3601 1 12 . 1 1 53 53 VAL N N 53 112.220 112.220 116.816 -4.596 19486 3602 1 12 . 1 1 53 53 VAL HA H 53 4.099 4.099 3.920 0.179 19486 3603 1 12 . 1 1 53 53 VAL C C 53 175.078 175.078 177.052 -1.974 19486 3604 1 12 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.869 -1.429 19486 3605 1 12 . 1 1 53 53 VAL CB C 53 31.387 31.387 30.526 0.860 19486 3606 1 12 . 1 1 53 53 VAL H H 53 6.940 6.940 7.700 -0.760 19486 3607 1 12 . 1 1 54 54 THR N N 54 110.466 110.466 110.978 -0.512 19486 3608 1 12 . 1 1 54 54 THR HA H 54 4.135 4.135 4.192 -0.057 19486 3609 1 12 . 1 1 54 54 THR C C 54 171.847 171.847 175.006 -3.159 19486 3610 1 12 . 1 1 54 54 THR CA C 54 63.056 63.056 62.874 0.182 19486 3611 1 12 . 1 1 54 54 THR CB C 54 69.595 69.595 68.982 0.613 19486 3612 1 12 . 1 1 54 54 THR H H 54 7.581 7.581 7.710 -0.129 19486 3613 1 13 . 1 1 2 2 GLY N N 2 110.487 110.487 111.784 -1.297 19486 3614 1 13 . 1 1 2 2 GLY C C 2 169.148 169.148 174.573 -5.425 19486 3615 1 13 . 1 1 2 2 GLY CA C 2 45.079 45.079 45.375 -0.296 19486 3616 1 13 . 1 1 2 2 GLY H H 2 8.216 8.216 8.702 -0.486 19486 3617 1 13 . 1 1 3 3 SER N N 3 114.424 114.424 122.461 -8.037 19486 3618 1 13 . 1 1 3 3 SER HA H 3 4.357 4.357 4.482 -0.125 19486 3619 1 13 . 1 1 3 3 SER C C 3 169.812 169.812 173.787 -3.975 19486 3620 1 13 . 1 1 3 3 SER CA C 3 58.382 58.382 57.715 0.667 19486 3621 1 13 . 1 1 3 3 SER CB C 3 64.088 64.088 63.266 0.822 19486 3622 1 13 . 1 1 3 3 SER H H 3 7.996 7.996 8.069 -0.073 19486 3623 1 13 . 1 1 4 4 HIS N N 4 122.476 122.476 126.687 -4.211 19486 3624 1 13 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.266 0.342 19486 3625 1 13 . 1 1 4 4 HIS C C 4 170.682 170.682 173.246 -2.564 19486 3626 1 13 . 1 1 4 4 HIS CA C 4 55.362 55.362 56.201 -0.839 19486 3627 1 13 . 1 1 4 4 HIS CB C 4 30.816 30.816 27.258 3.558 19486 3628 1 13 . 1 1 4 4 HIS H H 4 8.315 8.315 8.138 0.177 19486 3629 1 13 . 1 1 5 5 LYS N N 5 125.975 125.975 121.837 4.138 19486 3630 1 13 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.585 0.170 19486 3631 1 13 . 1 1 5 5 LYS C C 5 172.684 172.684 175.502 -2.818 19486 3632 1 13 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.871 0.792 19486 3633 1 13 . 1 1 5 5 LYS CB C 5 35.248 35.248 34.768 0.480 19486 3634 1 13 . 1 1 5 5 LYS H H 5 8.655 8.655 7.802 0.853 19486 3635 1 13 . 1 1 6 6 CYS N N 6 127.588 127.588 128.248 -0.660 19486 3636 1 13 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.792 -0.336 19486 3637 1 13 . 1 1 6 6 CYS C C 6 175.723 175.723 175.295 0.428 19486 3638 1 13 . 1 1 6 6 CYS CA C 6 60.218 60.218 57.081 3.137 19486 3639 1 13 . 1 1 6 6 CYS CB C 6 29.713 29.713 25.798 3.915 19486 3640 1 13 . 1 1 6 6 CYS H H 6 9.046 9.046 8.809 0.237 19486 3641 1 13 . 1 1 7 7 ASN N N 7 128.450 128.450 124.912 3.538 19486 3642 1 13 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.431 0.177 19486 3643 1 13 . 1 1 7 7 ASN C C 7 172.781 172.781 175.961 -3.180 19486 3644 1 13 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.257 -1.239 19486 3645 1 13 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.456 -0.315 19486 3646 1 13 . 1 1 7 7 ASN H H 7 9.075 9.075 8.495 0.580 19486 3647 1 13 . 1 1 8 8 VAL N N 8 123.473 123.473 117.321 6.152 19486 3648 1 13 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.714 0.091 19486 3649 1 13 . 1 1 8 8 VAL C C 8 176.694 176.694 177.217 -0.523 19486 3650 1 13 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.892 0.134 19486 3651 1 13 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.763 1.199 19486 3652 1 13 . 1 1 8 8 VAL H H 8 9.223 9.223 8.061 1.162 19486 3653 1 13 . 1 1 9 9 CYS N N 9 118.379 118.379 113.270 5.109 19486 3654 1 13 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.592 0.567 19486 3655 1 13 . 1 1 9 9 CYS C C 9 173.754 173.754 175.445 -1.691 19486 3656 1 13 . 1 1 9 9 CYS CA C 9 58.452 58.452 58.903 -0.451 19486 3657 1 13 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.419 3.925 19486 3658 1 13 . 1 1 9 9 CYS H H 9 8.457 8.457 8.159 0.298 19486 3659 1 13 . 1 1 10 10 SER N N 10 114.054 114.054 111.978 2.076 19486 3660 1 13 . 1 1 10 10 SER HA H 10 4.260 4.260 4.273 -0.013 19486 3661 1 13 . 1 1 10 10 SER C C 10 169.209 169.209 173.563 -4.354 19486 3662 1 13 . 1 1 10 10 SER CA C 10 61.286 61.286 59.218 2.068 19486 3663 1 13 . 1 1 10 10 SER CB C 10 62.173 62.173 62.576 -0.403 19486 3664 1 13 . 1 1 10 10 SER H H 10 7.910 7.910 8.461 -0.551 19486 3665 1 13 . 1 1 11 11 ARG N N 11 122.514 122.514 121.126 1.388 19486 3666 1 13 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.498 -0.420 19486 3667 1 13 . 1 1 11 11 ARG C C 11 172.193 172.193 175.942 -3.749 19486 3668 1 13 . 1 1 11 11 ARG CA C 11 57.889 57.889 55.427 2.462 19486 3669 1 13 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.020 0.549 19486 3670 1 13 . 1 1 11 11 ARG H H 11 8.047 8.047 7.582 0.465 19486 3671 1 13 . 1 1 12 12 THR N N 12 111.399 111.399 115.008 -3.609 19486 3672 1 13 . 1 1 12 12 THR HA H 12 4.896 4.896 4.396 0.500 19486 3673 1 13 . 1 1 12 12 THR C C 12 168.910 168.910 174.560 -5.650 19486 3674 1 13 . 1 1 12 12 THR CA C 12 60.396 60.396 60.256 0.140 19486 3675 1 13 . 1 1 12 12 THR CB C 12 71.239 71.239 70.275 0.964 19486 3676 1 13 . 1 1 12 12 THR H H 12 7.716 7.716 7.912 -0.196 19486 3677 1 13 . 1 1 13 13 PHE N N 13 118.814 118.814 122.180 -3.366 19486 3678 1 13 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.448 -0.008 19486 3679 1 13 . 1 1 13 13 PHE C C 13 173.256 173.256 174.398 -1.142 19486 3680 1 13 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.338 1.241 19486 3681 1 13 . 1 1 13 13 PHE CB C 13 43.109 43.109 39.077 4.032 19486 3682 1 13 . 1 1 13 13 PHE H H 13 8.527 8.527 8.442 0.085 19486 3683 1 13 . 1 1 14 14 PHE N N 14 119.476 119.476 118.990 0.486 19486 3684 1 13 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.556 0.244 19486 3685 1 13 . 1 1 14 14 PHE C C 14 173.255 173.255 176.049 -2.794 19486 3686 1 13 . 1 1 14 14 PHE CA C 14 59.206 59.206 59.260 -0.054 19486 3687 1 13 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.464 -0.028 19486 3688 1 13 . 1 1 14 14 PHE H H 14 8.975 8.975 8.678 0.297 19486 3689 1 13 . 1 1 15 15 SER N N 15 111.316 111.316 115.278 -3.962 19486 3690 1 13 . 1 1 15 15 SER HA H 15 4.573 4.573 4.890 -0.317 19486 3691 1 13 . 1 1 15 15 SER C C 15 169.172 169.172 175.013 -5.841 19486 3692 1 13 . 1 1 15 15 SER CA C 15 55.948 55.948 56.910 -0.962 19486 3693 1 13 . 1 1 15 15 SER CB C 15 67.029 67.029 66.587 0.442 19486 3694 1 13 . 1 1 15 15 SER H H 15 7.813 7.813 7.927 -0.114 19486 3695 1 13 . 1 1 16 16 GLU N N 16 123.055 123.055 120.602 2.453 19486 3696 1 13 . 1 1 16 16 GLU HA H 16 3.420 3.420 3.941 -0.521 19486 3697 1 13 . 1 1 16 16 GLU C C 16 179.932 179.932 178.063 1.869 19486 3698 1 13 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.530 -0.236 19486 3699 1 13 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.470 -0.432 19486 3700 1 13 . 1 1 16 16 GLU H H 16 8.755 8.755 9.104 -0.349 19486 3701 1 13 . 1 1 17 17 ASN N N 17 117.537 117.537 117.341 0.196 19486 3702 1 13 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.661 -0.376 19486 3703 1 13 . 1 1 17 17 ASN C C 17 177.403 177.403 177.649 -0.246 19486 3704 1 13 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.037 1.407 19486 3705 1 13 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.638 0.316 19486 3706 1 13 . 1 1 17 17 ASN H H 17 8.548 8.548 8.557 -0.009 19486 3707 1 13 . 1 1 18 18 GLY N N 18 108.587 108.587 110.227 -1.640 19486 3708 1 13 . 1 1 18 18 GLY C C 18 175.491 175.491 176.451 -0.960 19486 3709 1 13 . 1 1 18 18 GLY CA C 18 46.689 46.689 47.053 -0.364 19486 3710 1 13 . 1 1 18 18 GLY H H 18 8.038 8.038 8.084 -0.046 19486 3711 1 13 . 1 1 19 19 LEU N N 19 123.120 123.120 122.690 0.430 19486 3712 1 13 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.251 -1.034 19486 3713 1 13 . 1 1 19 19 LEU C C 19 176.975 176.975 178.817 -1.842 19486 3714 1 13 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.941 -0.167 19486 3715 1 13 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.675 -0.780 19486 3716 1 13 . 1 1 19 19 LEU H H 19 7.240 7.240 8.120 -0.880 19486 3717 1 13 . 1 1 20 20 ARG N N 20 119.506 119.506 117.566 1.940 19486 3718 1 13 . 1 1 20 20 ARG HA H 20 3.784 3.784 4.066 -0.282 19486 3719 1 13 . 1 1 20 20 ARG C C 20 181.705 181.705 178.913 2.792 19486 3720 1 13 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.478 1.905 19486 3721 1 13 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.433 0.493 19486 3722 1 13 . 1 1 20 20 ARG H H 20 8.426 8.426 7.612 0.814 19486 3723 1 13 . 1 1 21 21 GLU N N 21 117.954 117.954 119.733 -1.779 19486 3724 1 13 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.283 -0.343 19486 3725 1 13 . 1 1 21 21 GLU C C 21 180.973 180.973 179.148 1.825 19486 3726 1 13 . 1 1 21 21 GLU CA C 21 59.155 59.155 59.014 0.141 19486 3727 1 13 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.701 -0.079 19486 3728 1 13 . 1 1 21 21 GLU H H 21 7.961 7.961 8.194 -0.233 19486 3729 1 13 . 1 1 22 22 HIS N N 22 119.084 119.084 120.333 -1.249 19486 3730 1 13 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.367 -0.131 19486 3731 1 13 . 1 1 22 22 HIS C C 22 179.182 179.182 177.272 1.910 19486 3732 1 13 . 1 1 22 22 HIS CA C 22 58.860 58.860 59.050 -0.190 19486 3733 1 13 . 1 1 22 22 HIS CB C 22 28.259 28.259 30.003 -1.744 19486 3734 1 13 . 1 1 22 22 HIS H H 22 7.434 7.434 8.104 -0.670 19486 3735 1 13 . 1 1 23 23 LEU N N 23 122.153 122.153 119.534 2.619 19486 3736 1 13 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.279 -0.514 19486 3737 1 13 . 1 1 23 23 LEU C C 23 181.265 181.265 178.829 2.436 19486 3738 1 13 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.945 0.642 19486 3739 1 13 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.951 -0.111 19486 3740 1 13 . 1 1 23 23 LEU H H 23 8.835 8.835 8.239 0.596 19486 3741 1 13 . 1 1 24 24 GLN N N 24 115.740 115.740 116.468 -0.728 19486 3742 1 13 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.131 -0.123 19486 3743 1 13 . 1 1 24 24 GLN C C 24 178.454 178.454 177.608 0.846 19486 3744 1 13 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.403 -0.433 19486 3745 1 13 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.397 0.034 19486 3746 1 13 . 1 1 24 24 GLN H H 24 7.142 7.142 7.728 -0.586 19486 3747 1 13 . 1 1 25 25 THR N N 25 109.376 109.376 111.278 -1.902 19486 3748 1 13 . 1 1 25 25 THR HA H 25 4.129 4.129 3.938 0.191 19486 3749 1 13 . 1 1 25 25 THR C C 25 173.471 173.471 174.269 -0.798 19486 3750 1 13 . 1 1 25 25 THR CA C 25 63.754 63.754 65.065 -1.311 19486 3751 1 13 . 1 1 25 25 THR CB C 25 69.467 69.467 68.211 1.256 19486 3752 1 13 . 1 1 25 25 THR H H 25 7.801 7.801 7.454 0.347 19486 3753 1 13 . 1 1 26 26 HIS N N 26 118.158 118.158 117.796 0.362 19486 3754 1 13 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.815 0.076 19486 3755 1 13 . 1 1 26 26 HIS C C 26 171.847 171.847 176.110 -4.263 19486 3756 1 13 . 1 1 26 26 HIS CA C 26 55.083 55.083 56.743 -1.660 19486 3757 1 13 . 1 1 26 26 HIS CB C 26 28.686 28.686 31.483 -2.797 19486 3758 1 13 . 1 1 26 26 HIS H H 26 7.095 7.095 7.548 -0.453 19486 3759 1 13 . 1 1 27 27 ARG N N 27 120.083 120.083 119.306 0.777 19486 3760 1 13 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.399 0.001 19486 3761 1 13 . 1 1 27 27 ARG C C 27 175.194 175.194 177.728 -2.534 19486 3762 1 13 . 1 1 27 27 ARG CA C 27 56.387 56.387 56.510 -0.123 19486 3763 1 13 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.744 0.516 19486 3764 1 13 . 1 1 27 27 ARG H H 27 7.630 7.630 7.647 -0.017 19486 3765 1 13 . 1 1 28 28 GLY N N 28 109.773 109.773 108.659 1.114 19486 3766 1 13 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.313 0.319 19486 3767 1 13 . 1 1 28 28 GLY H H 28 8.217 8.217 8.027 0.190 19486 3768 1 13 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.348 0.039 19486 3769 1 13 . 1 1 29 29 PRO C C 29 176.069 176.069 175.343 0.726 19486 3770 1 13 . 1 1 29 29 PRO CA C 29 63.030 63.030 63.174 -0.144 19486 3771 1 13 . 1 1 29 29 PRO CB C 29 32.227 32.227 31.524 0.703 19486 3772 1 13 . 1 1 30 30 ALA N N 30 124.277 124.277 126.796 -2.519 19486 3773 1 13 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.570 -0.379 19486 3774 1 13 . 1 1 30 30 ALA C C 30 177.466 177.466 176.285 1.181 19486 3775 1 13 . 1 1 30 30 ALA CA C 30 52.423 52.423 50.718 1.705 19486 3776 1 13 . 1 1 30 30 ALA CB C 30 19.185 19.185 21.218 -2.033 19486 3777 1 13 . 1 1 30 30 ALA H H 30 8.312 8.312 8.331 -0.019 19486 3778 1 13 . 1 1 31 31 LYS N N 31 120.503 120.503 124.867 -4.364 19486 3779 1 13 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.014 0.139 19486 3780 1 13 . 1 1 31 31 LYS C C 31 173.444 173.444 175.907 -2.463 19486 3781 1 13 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.267 -0.297 19486 3782 1 13 . 1 1 31 31 LYS CB C 31 33.189 33.189 31.493 1.696 19486 3783 1 13 . 1 1 31 31 LYS H H 31 8.160 8.160 8.458 -0.298 19486 3784 1 13 . 1 1 32 32 HIS N N 32 118.745 118.745 124.157 -5.412 19486 3785 1 13 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.636 0.006 19486 3786 1 13 . 1 1 32 32 HIS C C 32 171.199 171.199 175.271 -4.072 19486 3787 1 13 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.517 0.124 19486 3788 1 13 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.550 1.743 19486 3789 1 13 . 1 1 32 32 HIS H H 32 7.888 7.888 7.948 -0.060 19486 3790 1 13 . 1 1 33 33 TYR N N 33 120.158 120.158 122.791 -2.633 19486 3791 1 13 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.548 -0.004 19486 3792 1 13 . 1 1 33 33 TYR C C 33 172.174 172.174 174.974 -2.800 19486 3793 1 13 . 1 1 33 33 TYR CA C 33 57.776 57.776 58.148 -0.371 19486 3794 1 13 . 1 1 33 33 TYR CB C 33 39.394 39.394 38.031 1.363 19486 3795 1 13 . 1 1 33 33 TYR H H 33 8.672 8.672 8.915 -0.243 19486 3796 1 13 . 1 1 34 34 MET N N 34 123.629 123.629 124.234 -0.605 19486 3797 1 13 . 1 1 34 34 MET HA H 34 5.113 5.113 5.070 0.043 19486 3798 1 13 . 1 1 34 34 MET C C 34 172.661 172.661 175.572 -2.911 19486 3799 1 13 . 1 1 34 34 MET CA C 34 54.285 54.285 54.109 0.176 19486 3800 1 13 . 1 1 34 34 MET CB C 34 35.606 35.606 35.293 0.313 19486 3801 1 13 . 1 1 34 34 MET H H 34 8.770 8.770 8.376 0.394 19486 3802 1 13 . 1 1 35 35 CYS N N 35 128.648 128.648 127.742 0.906 19486 3803 1 13 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.772 0.042 19486 3804 1 13 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.473 -0.244 19486 3805 1 13 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.574 2.839 19486 3806 1 13 . 1 1 35 35 CYS H H 35 9.412 9.412 8.585 0.827 19486 3807 1 13 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.352 0.175 19486 3808 1 13 . 1 1 36 36 PRO C C 36 175.359 175.359 176.933 -1.574 19486 3809 1 13 . 1 1 36 36 PRO CA C 36 64.130 64.130 64.920 -0.790 19486 3810 1 13 . 1 1 36 36 PRO CB C 36 32.327 32.327 32.020 0.307 19486 3811 1 13 . 1 1 37 37 ILE N N 37 121.680 121.680 117.649 4.031 19486 3812 1 13 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.969 -0.063 19486 3813 1 13 . 1 1 37 37 ILE C C 37 176.316 176.316 177.326 -1.010 19486 3814 1 13 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.889 0.271 19486 3815 1 13 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.510 -0.177 19486 3816 1 13 . 1 1 37 37 ILE H H 37 8.802 8.802 7.756 1.046 19486 3817 1 13 . 1 1 38 38 CYS N N 38 115.962 115.962 113.986 1.976 19486 3818 1 13 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.900 0.237 19486 3819 1 13 . 1 1 38 38 CYS C C 38 175.994 175.994 175.460 0.534 19486 3820 1 13 . 1 1 38 38 CYS CA C 38 58.260 58.260 56.737 1.523 19486 3821 1 13 . 1 1 38 38 CYS CB C 38 32.806 32.806 28.518 4.288 19486 3822 1 13 . 1 1 38 38 CYS H H 38 8.070 8.070 8.133 -0.063 19486 3823 1 13 . 1 1 39 39 GLY N N 39 113.286 113.286 110.906 2.380 19486 3824 1 13 . 1 1 39 39 GLY C C 39 169.495 169.495 174.475 -4.980 19486 3825 1 13 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.922 0.524 19486 3826 1 13 . 1 1 39 39 GLY H H 39 8.113 8.113 7.895 0.218 19486 3827 1 13 . 1 1 40 40 GLU N N 40 122.500 122.500 119.770 2.730 19486 3828 1 13 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.009 0.019 19486 3829 1 13 . 1 1 40 40 GLU C C 40 171.486 171.486 176.378 -4.892 19486 3830 1 13 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.388 1.331 19486 3831 1 13 . 1 1 40 40 GLU CB C 40 30.434 30.434 29.084 1.350 19486 3832 1 13 . 1 1 40 40 GLU H H 40 8.119 8.119 8.338 -0.219 19486 3833 1 13 . 1 1 41 41 ARG N N 41 120.904 120.904 124.629 -3.725 19486 3834 1 13 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.136 0.802 19486 3835 1 13 . 1 1 41 41 ARG C C 41 173.428 173.428 175.657 -2.229 19486 3836 1 13 . 1 1 41 41 ARG CA C 41 55.153 55.153 56.765 -1.612 19486 3837 1 13 . 1 1 41 41 ARG CB C 41 32.810 32.810 30.813 1.997 19486 3838 1 13 . 1 1 41 41 ARG H H 41 8.051 8.051 8.524 -0.473 19486 3839 1 13 . 1 1 42 42 PHE N N 42 119.481 119.481 124.157 -4.676 19486 3840 1 13 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.982 -0.294 19486 3841 1 13 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.140 1.597 19486 3842 1 13 . 1 1 42 42 PHE CB C 42 41.976 41.976 40.933 1.043 19486 3843 1 13 . 1 1 42 42 PHE H H 42 8.856 8.856 8.523 0.333 19486 3844 1 13 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.428 0.361 19486 3845 1 13 . 1 1 43 43 PRO C C 43 174.319 174.319 176.773 -2.454 19486 3846 1 13 . 1 1 43 43 PRO CA C 43 63.666 63.666 64.068 -0.402 19486 3847 1 13 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.358 0.445 19486 3848 1 13 . 1 1 44 44 SER N N 44 110.500 110.500 111.886 -1.386 19486 3849 1 13 . 1 1 44 44 SER HA H 44 4.601 4.601 4.947 -0.346 19486 3850 1 13 . 1 1 44 44 SER C C 44 166.956 166.956 173.736 -6.780 19486 3851 1 13 . 1 1 44 44 SER CA C 44 55.700 55.700 57.332 -1.632 19486 3852 1 13 . 1 1 44 44 SER CB C 44 67.018 67.018 66.172 0.846 19486 3853 1 13 . 1 1 44 44 SER H H 44 7.246 7.246 7.650 -0.404 19486 3854 1 13 . 1 1 45 45 LEU N N 45 122.780 122.780 120.228 2.552 19486 3855 1 13 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.286 -0.781 19486 3856 1 13 . 1 1 45 45 LEU C C 45 181.968 181.968 175.357 6.611 19486 3857 1 13 . 1 1 45 45 LEU CA C 45 57.272 57.272 55.122 2.150 19486 3858 1 13 . 1 1 45 45 LEU CB C 45 41.177 41.177 39.368 1.808 19486 3859 1 13 . 1 1 45 45 LEU H H 45 8.272 8.272 8.701 -0.429 19486 3860 1 13 . 1 1 46 46 LEU N N 46 121.552 121.552 120.012 1.540 19486 3861 1 13 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.531 -0.497 19486 3862 1 13 . 1 1 46 46 LEU C C 46 180.359 180.359 178.555 1.804 19486 3863 1 13 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.917 1.719 19486 3864 1 13 . 1 1 46 46 LEU CB C 46 42.115 42.115 42.119 -0.004 19486 3865 1 13 . 1 1 46 46 LEU H H 46 8.289 8.289 7.671 0.618 19486 3866 1 13 . 1 1 47 47 THR N N 47 109.081 109.081 114.279 -5.198 19486 3867 1 13 . 1 1 47 47 THR HA H 47 3.980 3.980 4.120 -0.140 19486 3868 1 13 . 1 1 47 47 THR C C 47 179.649 179.649 176.324 3.325 19486 3869 1 13 . 1 1 47 47 THR CA C 47 65.057 65.057 65.184 -0.127 19486 3870 1 13 . 1 1 47 47 THR CB C 47 69.160 69.160 68.797 0.363 19486 3871 1 13 . 1 1 47 47 THR H H 47 7.456 7.456 7.682 -0.226 19486 3872 1 13 . 1 1 48 48 LEU N N 48 124.194 124.194 122.385 1.809 19486 3873 1 13 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.604 -0.335 19486 3874 1 13 . 1 1 48 48 LEU C C 48 178.335 178.335 178.235 0.100 19486 3875 1 13 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.053 0.328 19486 3876 1 13 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.516 -0.649 19486 3877 1 13 . 1 1 48 48 LEU H H 48 7.582 7.582 7.340 0.242 19486 3878 1 13 . 1 1 49 49 THR N N 49 117.072 117.072 115.273 1.799 19486 3879 1 13 . 1 1 49 49 THR HA H 49 3.645 3.645 3.827 -0.182 19486 3880 1 13 . 1 1 49 49 THR C C 49 175.471 175.471 176.633 -1.162 19486 3881 1 13 . 1 1 49 49 THR CA C 49 67.720 67.720 67.119 0.601 19486 3882 1 13 . 1 1 49 49 THR CB C 49 68.791 68.791 68.488 0.303 19486 3883 1 13 . 1 1 49 49 THR H H 49 8.558 8.558 8.009 0.549 19486 3884 1 13 . 1 1 50 50 GLU N N 50 120.004 120.004 121.035 -1.031 19486 3885 1 13 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.902 0.027 19486 3886 1 13 . 1 1 50 50 GLU C C 50 179.081 179.081 178.888 0.193 19486 3887 1 13 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.284 -0.154 19486 3888 1 13 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.542 0.142 19486 3889 1 13 . 1 1 50 50 GLU H H 50 7.966 7.966 7.818 0.148 19486 3890 1 13 . 1 1 51 51 HIS N N 51 117.288 117.288 119.349 -2.061 19486 3891 1 13 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.212 0.037 19486 3892 1 13 . 1 1 51 51 HIS C C 51 178.240 178.240 176.243 1.997 19486 3893 1 13 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.964 -0.478 19486 3894 1 13 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.847 -1.783 19486 3895 1 13 . 1 1 51 51 HIS H H 51 7.377 7.377 7.785 -0.408 19486 3896 1 13 . 1 1 52 52 LYS N N 52 120.729 120.729 117.920 2.809 19486 3897 1 13 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.175 -0.497 19486 3898 1 13 . 1 1 52 52 LYS C C 52 178.361 178.361 179.439 -1.078 19486 3899 1 13 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.048 1.605 19486 3900 1 13 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.600 -0.140 19486 3901 1 13 . 1 1 52 52 LYS H H 52 8.572 8.572 7.798 0.774 19486 3902 1 13 . 1 1 53 53 VAL N N 53 112.220 112.220 116.925 -4.705 19486 3903 1 13 . 1 1 53 53 VAL HA H 53 4.099 4.099 3.995 0.104 19486 3904 1 13 . 1 1 53 53 VAL C C 53 175.078 175.078 177.143 -2.065 19486 3905 1 13 . 1 1 53 53 VAL CA C 53 63.440 63.440 65.335 -1.895 19486 3906 1 13 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.304 0.083 19486 3907 1 13 . 1 1 53 53 VAL H H 53 6.940 6.940 7.979 -1.039 19486 3908 1 13 . 1 1 54 54 THR N N 54 110.466 110.466 110.914 -0.448 19486 3909 1 13 . 1 1 54 54 THR HA H 54 4.135 4.135 4.359 -0.224 19486 3910 1 13 . 1 1 54 54 THR C C 54 171.847 171.847 174.873 -3.026 19486 3911 1 13 . 1 1 54 54 THR CA C 54 63.056 63.056 61.570 1.486 19486 3912 1 13 . 1 1 54 54 THR CB C 54 69.595 69.595 68.837 0.758 19486 3913 1 13 . 1 1 54 54 THR H H 54 7.581 7.581 7.624 -0.043 19486 3914 1 14 . 1 1 2 2 GLY N N 2 110.487 110.487 111.186 -0.699 19486 3915 1 14 . 1 1 2 2 GLY C C 2 169.148 169.148 173.412 -4.264 19486 3916 1 14 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.183 0.896 19486 3917 1 14 . 1 1 2 2 GLY H H 2 8.216 8.216 8.430 -0.214 19486 3918 1 14 . 1 1 3 3 SER N N 3 114.424 114.424 116.283 -1.859 19486 3919 1 14 . 1 1 3 3 SER HA H 3 4.357 4.357 4.588 -0.231 19486 3920 1 14 . 1 1 3 3 SER C C 3 169.812 169.812 173.282 -3.470 19486 3921 1 14 . 1 1 3 3 SER CA C 3 58.382 58.382 58.190 0.192 19486 3922 1 14 . 1 1 3 3 SER CB C 3 64.088 64.088 64.870 -0.782 19486 3923 1 14 . 1 1 3 3 SER H H 3 7.996 7.996 8.322 -0.326 19486 3924 1 14 . 1 1 4 4 HIS N N 4 122.476 122.476 125.679 -3.203 19486 3925 1 14 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.348 0.260 19486 3926 1 14 . 1 1 4 4 HIS C C 4 170.682 170.682 173.905 -3.223 19486 3927 1 14 . 1 1 4 4 HIS CA C 4 55.362 55.362 56.377 -1.015 19486 3928 1 14 . 1 1 4 4 HIS CB C 4 30.816 30.816 28.831 1.985 19486 3929 1 14 . 1 1 4 4 HIS H H 4 8.315 8.315 8.690 -0.375 19486 3930 1 14 . 1 1 5 5 LYS N N 5 125.975 125.975 122.174 3.801 19486 3931 1 14 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.737 0.018 19486 3932 1 14 . 1 1 5 5 LYS C C 5 172.684 172.684 175.932 -3.248 19486 3933 1 14 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.726 0.937 19486 3934 1 14 . 1 1 5 5 LYS CB C 5 35.248 35.248 35.852 -0.605 19486 3935 1 14 . 1 1 5 5 LYS H H 5 8.655 8.655 7.779 0.876 19486 3936 1 14 . 1 1 6 6 CYS N N 6 127.588 127.588 127.101 0.487 19486 3937 1 14 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.534 -0.078 19486 3938 1 14 . 1 1 6 6 CYS C C 6 175.723 175.723 175.469 0.254 19486 3939 1 14 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.050 2.168 19486 3940 1 14 . 1 1 6 6 CYS CB C 6 29.713 29.713 25.266 4.447 19486 3941 1 14 . 1 1 6 6 CYS H H 6 9.046 9.046 9.331 -0.285 19486 3942 1 14 . 1 1 7 7 ASN N N 7 128.450 128.450 117.957 10.493 19486 3943 1 14 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.336 0.272 19486 3944 1 14 . 1 1 7 7 ASN C C 7 172.781 172.781 175.458 -2.677 19486 3945 1 14 . 1 1 7 7 ASN CA C 7 55.018 55.018 55.651 -0.633 19486 3946 1 14 . 1 1 7 7 ASN CB C 7 38.141 38.141 36.304 1.837 19486 3947 1 14 . 1 1 7 7 ASN H H 7 9.075 9.075 8.732 0.343 19486 3948 1 14 . 1 1 8 8 VAL N N 8 123.473 123.473 121.680 1.793 19486 3949 1 14 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.731 0.074 19486 3950 1 14 . 1 1 8 8 VAL C C 8 176.694 176.694 177.913 -1.219 19486 3951 1 14 . 1 1 8 8 VAL CA C 8 65.026 65.026 65.017 0.009 19486 3952 1 14 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.759 1.203 19486 3953 1 14 . 1 1 8 8 VAL H H 8 9.223 9.223 8.104 1.119 19486 3954 1 14 . 1 1 9 9 CYS N N 9 118.379 118.379 115.632 2.747 19486 3955 1 14 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.375 0.784 19486 3956 1 14 . 1 1 9 9 CYS C C 9 173.754 173.754 174.450 -0.696 19486 3957 1 14 . 1 1 9 9 CYS CA C 9 58.452 58.452 60.093 -1.641 19486 3958 1 14 . 1 1 9 9 CYS CB C 9 32.344 32.344 27.383 4.961 19486 3959 1 14 . 1 1 9 9 CYS H H 9 8.457 8.457 8.029 0.428 19486 3960 1 14 . 1 1 10 10 SER N N 10 114.054 114.054 113.755 0.299 19486 3961 1 14 . 1 1 10 10 SER HA H 10 4.260 4.260 4.196 0.064 19486 3962 1 14 . 1 1 10 10 SER C C 10 169.209 169.209 173.970 -4.761 19486 3963 1 14 . 1 1 10 10 SER CA C 10 61.286 61.286 59.246 2.039 19486 3964 1 14 . 1 1 10 10 SER CB C 10 62.173 62.173 62.531 -0.358 19486 3965 1 14 . 1 1 10 10 SER H H 10 7.910 7.910 7.877 0.033 19486 3966 1 14 . 1 1 11 11 ARG N N 11 122.514 122.514 121.181 1.333 19486 3967 1 14 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.541 -0.463 19486 3968 1 14 . 1 1 11 11 ARG C C 11 172.193 172.193 175.988 -3.795 19486 3969 1 14 . 1 1 11 11 ARG CA C 11 57.889 57.889 56.303 1.586 19486 3970 1 14 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.662 -0.093 19486 3971 1 14 . 1 1 11 11 ARG H H 11 8.047 8.047 8.292 -0.245 19486 3972 1 14 . 1 1 12 12 THR N N 12 111.399 111.399 110.130 1.269 19486 3973 1 14 . 1 1 12 12 THR HA H 12 4.896 4.896 4.361 0.535 19486 3974 1 14 . 1 1 12 12 THR C C 12 168.910 168.910 172.474 -3.564 19486 3975 1 14 . 1 1 12 12 THR CA C 12 60.396 60.396 61.540 -1.144 19486 3976 1 14 . 1 1 12 12 THR CB C 12 71.239 71.239 70.270 0.969 19486 3977 1 14 . 1 1 12 12 THR H H 12 7.716 7.716 7.920 -0.204 19486 3978 1 14 . 1 1 13 13 PHE N N 13 118.814 118.814 116.804 2.010 19486 3979 1 14 . 1 1 13 13 PHE HA H 13 4.440 4.440 5.001 -0.561 19486 3980 1 14 . 1 1 13 13 PHE C C 13 173.256 173.256 174.582 -1.326 19486 3981 1 14 . 1 1 13 13 PHE CA C 13 57.579 57.579 57.310 0.268 19486 3982 1 14 . 1 1 13 13 PHE CB C 13 43.109 43.109 40.215 2.894 19486 3983 1 14 . 1 1 13 13 PHE H H 13 8.527 8.527 7.725 0.802 19486 3984 1 14 . 1 1 14 14 PHE N N 14 119.476 119.476 121.852 -2.376 19486 3985 1 14 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.456 0.344 19486 3986 1 14 . 1 1 14 14 PHE C C 14 173.255 173.255 175.096 -1.841 19486 3987 1 14 . 1 1 14 14 PHE CA C 14 59.206 59.206 59.923 -0.717 19486 3988 1 14 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.559 -0.123 19486 3989 1 14 . 1 1 14 14 PHE H H 14 8.975 8.975 8.486 0.489 19486 3990 1 14 . 1 1 15 15 SER N N 15 111.316 111.316 112.331 -1.015 19486 3991 1 14 . 1 1 15 15 SER HA H 15 4.573 4.573 4.642 -0.069 19486 3992 1 14 . 1 1 15 15 SER C C 15 169.172 169.172 174.717 -5.545 19486 3993 1 14 . 1 1 15 15 SER CA C 15 55.948 55.948 57.351 -1.403 19486 3994 1 14 . 1 1 15 15 SER CB C 15 67.029 67.029 65.442 1.587 19486 3995 1 14 . 1 1 15 15 SER H H 15 7.813 7.813 7.903 -0.090 19486 3996 1 14 . 1 1 16 16 GLU N N 16 123.055 123.055 120.974 2.081 19486 3997 1 14 . 1 1 16 16 GLU HA H 16 3.420 3.420 3.964 -0.544 19486 3998 1 14 . 1 1 16 16 GLU C C 16 179.932 179.932 178.536 1.396 19486 3999 1 14 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.773 -0.479 19486 4000 1 14 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.241 -0.203 19486 4001 1 14 . 1 1 16 16 GLU H H 16 8.755 8.755 8.969 -0.214 19486 4002 1 14 . 1 1 17 17 ASN N N 17 117.537 117.537 117.068 0.469 19486 4003 1 14 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.619 -0.334 19486 4004 1 14 . 1 1 17 17 ASN C C 17 177.403 177.403 177.921 -0.518 19486 4005 1 14 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.229 1.215 19486 4006 1 14 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.790 0.164 19486 4007 1 14 . 1 1 17 17 ASN H H 17 8.548 8.548 8.625 -0.077 19486 4008 1 14 . 1 1 18 18 GLY N N 18 108.587 108.587 110.174 -1.587 19486 4009 1 14 . 1 1 18 18 GLY C C 18 175.491 175.491 176.378 -0.887 19486 4010 1 14 . 1 1 18 18 GLY CA C 18 46.689 46.689 47.103 -0.414 19486 4011 1 14 . 1 1 18 18 GLY H H 18 8.038 8.038 8.216 -0.178 19486 4012 1 14 . 1 1 19 19 LEU N N 19 123.120 123.120 123.090 0.030 19486 4013 1 14 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.224 -1.007 19486 4014 1 14 . 1 1 19 19 LEU C C 19 176.975 176.975 179.132 -2.157 19486 4015 1 14 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.880 -0.106 19486 4016 1 14 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.743 -0.848 19486 4017 1 14 . 1 1 19 19 LEU H H 19 7.240 7.240 8.160 -0.920 19486 4018 1 14 . 1 1 20 20 ARG N N 20 119.506 119.506 117.688 1.818 19486 4019 1 14 . 1 1 20 20 ARG HA H 20 3.784 3.784 4.018 -0.234 19486 4020 1 14 . 1 1 20 20 ARG C C 20 181.705 181.705 178.819 2.886 19486 4021 1 14 . 1 1 20 20 ARG CA C 20 60.383 60.383 59.508 0.875 19486 4022 1 14 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.952 -0.025 19486 4023 1 14 . 1 1 20 20 ARG H H 20 8.426 8.426 7.790 0.636 19486 4024 1 14 . 1 1 21 21 GLU N N 21 117.954 117.954 118.949 -0.995 19486 4025 1 14 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.095 -0.155 19486 4026 1 14 . 1 1 21 21 GLU C C 21 180.973 180.973 179.356 1.617 19486 4027 1 14 . 1 1 21 21 GLU CA C 21 59.155 59.155 59.121 0.034 19486 4028 1 14 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.564 0.059 19486 4029 1 14 . 1 1 21 21 GLU H H 21 7.961 7.961 8.131 -0.170 19486 4030 1 14 . 1 1 22 22 HIS N N 22 119.084 119.084 119.388 -0.304 19486 4031 1 14 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.423 -0.187 19486 4032 1 14 . 1 1 22 22 HIS C C 22 179.182 179.182 177.382 1.800 19486 4033 1 14 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.541 0.319 19486 4034 1 14 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.967 -1.708 19486 4035 1 14 . 1 1 22 22 HIS H H 22 7.434 7.434 7.751 -0.317 19486 4036 1 14 . 1 1 23 23 LEU N N 23 122.153 122.153 120.316 1.837 19486 4037 1 14 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.179 -0.414 19486 4038 1 14 . 1 1 23 23 LEU C C 23 181.265 181.265 178.404 2.861 19486 4039 1 14 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.206 1.381 19486 4040 1 14 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.657 0.183 19486 4041 1 14 . 1 1 23 23 LEU H H 23 8.835 8.835 7.783 1.052 19486 4042 1 14 . 1 1 24 24 GLN N N 24 115.740 115.740 116.983 -1.243 19486 4043 1 14 . 1 1 24 24 GLN HA H 24 4.008 4.008 3.964 0.044 19486 4044 1 14 . 1 1 24 24 GLN C C 24 178.454 178.454 177.558 0.896 19486 4045 1 14 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.548 -0.578 19486 4046 1 14 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.314 0.117 19486 4047 1 14 . 1 1 24 24 GLN H H 24 7.142 7.142 7.783 -0.641 19486 4048 1 14 . 1 1 25 25 THR N N 25 109.376 109.376 109.442 -0.066 19486 4049 1 14 . 1 1 25 25 THR HA H 25 4.129 4.129 3.985 0.144 19486 4050 1 14 . 1 1 25 25 THR C C 25 173.471 173.471 174.177 -0.706 19486 4051 1 14 . 1 1 25 25 THR CA C 25 63.754 63.754 63.567 0.187 19486 4052 1 14 . 1 1 25 25 THR CB C 25 69.467 69.467 68.182 1.285 19486 4053 1 14 . 1 1 25 25 THR H H 25 7.801 7.801 7.353 0.448 19486 4054 1 14 . 1 1 26 26 HIS N N 26 118.158 118.158 117.860 0.298 19486 4055 1 14 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.807 0.084 19486 4056 1 14 . 1 1 26 26 HIS C C 26 171.847 171.847 175.613 -3.766 19486 4057 1 14 . 1 1 26 26 HIS CA C 26 55.083 55.083 56.747 -1.664 19486 4058 1 14 . 1 1 26 26 HIS CB C 26 28.686 28.686 31.113 -2.427 19486 4059 1 14 . 1 1 26 26 HIS H H 26 7.095 7.095 7.579 -0.484 19486 4060 1 14 . 1 1 27 27 ARG N N 27 120.083 120.083 121.640 -1.557 19486 4061 1 14 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.166 0.234 19486 4062 1 14 . 1 1 27 27 ARG C C 27 175.194 175.194 176.984 -1.790 19486 4063 1 14 . 1 1 27 27 ARG CA C 27 56.387 56.387 57.857 -1.470 19486 4064 1 14 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.925 0.335 19486 4065 1 14 . 1 1 27 27 ARG H H 27 7.630 7.630 7.831 -0.201 19486 4066 1 14 . 1 1 28 28 GLY N N 28 109.773 109.773 107.027 2.746 19486 4067 1 14 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.279 0.353 19486 4068 1 14 . 1 1 28 28 GLY H H 28 8.217 8.217 7.706 0.511 19486 4069 1 14 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.498 -0.111 19486 4070 1 14 . 1 1 29 29 PRO C C 29 176.069 176.069 175.406 0.663 19486 4071 1 14 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.535 0.495 19486 4072 1 14 . 1 1 29 29 PRO CB C 29 32.227 32.227 33.519 -1.292 19486 4073 1 14 . 1 1 30 30 ALA N N 30 124.277 124.277 121.139 3.138 19486 4074 1 14 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.349 -0.158 19486 4075 1 14 . 1 1 30 30 ALA C C 30 177.466 177.466 177.109 0.357 19486 4076 1 14 . 1 1 30 30 ALA CA C 30 52.423 52.423 51.028 1.395 19486 4077 1 14 . 1 1 30 30 ALA CB C 30 19.185 19.185 18.762 0.423 19486 4078 1 14 . 1 1 30 30 ALA H H 30 8.312 8.312 8.151 0.161 19486 4079 1 14 . 1 1 31 31 LYS N N 31 120.503 120.503 120.003 0.500 19486 4080 1 14 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.082 0.070 19486 4081 1 14 . 1 1 31 31 LYS C C 31 173.444 173.444 177.682 -4.238 19486 4082 1 14 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.381 -0.411 19486 4083 1 14 . 1 1 31 31 LYS CB C 31 33.189 33.189 32.604 0.585 19486 4084 1 14 . 1 1 31 31 LYS H H 31 8.160 8.160 7.647 0.513 19486 4085 1 14 . 1 1 32 32 HIS N N 32 118.745 118.745 123.401 -4.656 19486 4086 1 14 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.427 0.215 19486 4087 1 14 . 1 1 32 32 HIS C C 32 171.199 171.199 175.526 -4.327 19486 4088 1 14 . 1 1 32 32 HIS CA C 32 55.641 55.641 57.700 -2.059 19486 4089 1 14 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.263 2.030 19486 4090 1 14 . 1 1 32 32 HIS H H 32 7.888 7.888 8.731 -0.843 19486 4091 1 14 . 1 1 33 33 TYR N N 33 120.158 120.158 118.018 2.140 19486 4092 1 14 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.691 -0.147 19486 4093 1 14 . 1 1 33 33 TYR C C 33 172.174 172.174 174.223 -2.049 19486 4094 1 14 . 1 1 33 33 TYR CA C 33 57.776 57.776 57.543 0.233 19486 4095 1 14 . 1 1 33 33 TYR CB C 33 39.394 39.394 40.255 -0.861 19486 4096 1 14 . 1 1 33 33 TYR H H 33 8.672 8.672 7.832 0.840 19486 4097 1 14 . 1 1 34 34 MET N N 34 123.629 123.629 127.703 -4.074 19486 4098 1 14 . 1 1 34 34 MET HA H 34 5.113 5.113 4.780 0.333 19486 4099 1 14 . 1 1 34 34 MET C C 34 172.661 172.661 175.143 -2.482 19486 4100 1 14 . 1 1 34 34 MET CA C 34 54.285 54.285 54.664 -0.379 19486 4101 1 14 . 1 1 34 34 MET CB C 34 35.606 35.606 33.626 1.980 19486 4102 1 14 . 1 1 34 34 MET H H 34 8.770 8.770 8.302 0.468 19486 4103 1 14 . 1 1 35 35 CYS N N 35 128.648 128.648 129.069 -0.421 19486 4104 1 14 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.768 0.046 19486 4105 1 14 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.460 -0.231 19486 4106 1 14 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.564 2.849 19486 4107 1 14 . 1 1 35 35 CYS H H 35 9.412 9.412 9.184 0.228 19486 4108 1 14 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.303 0.224 19486 4109 1 14 . 1 1 36 36 PRO C C 36 175.359 175.359 176.872 -1.513 19486 4110 1 14 . 1 1 36 36 PRO CA C 36 64.130 64.130 64.998 -0.868 19486 4111 1 14 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.888 0.439 19486 4112 1 14 . 1 1 37 37 ILE N N 37 121.680 121.680 116.752 4.928 19486 4113 1 14 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.983 -0.077 19486 4114 1 14 . 1 1 37 37 ILE C C 37 176.316 176.316 177.576 -1.260 19486 4115 1 14 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.569 0.591 19486 4116 1 14 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.117 0.216 19486 4117 1 14 . 1 1 37 37 ILE H H 37 8.802 8.802 8.327 0.475 19486 4118 1 14 . 1 1 38 38 CYS N N 38 115.962 115.962 115.641 0.321 19486 4119 1 14 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.866 0.271 19486 4120 1 14 . 1 1 38 38 CYS C C 38 175.994 175.994 176.209 -0.215 19486 4121 1 14 . 1 1 38 38 CYS CA C 38 58.260 58.260 58.505 -0.245 19486 4122 1 14 . 1 1 38 38 CYS CB C 38 32.806 32.806 30.354 2.452 19486 4123 1 14 . 1 1 38 38 CYS H H 38 8.070 8.070 8.370 -0.300 19486 4124 1 14 . 1 1 39 39 GLY N N 39 113.286 113.286 112.336 0.950 19486 4125 1 14 . 1 1 39 39 GLY C C 39 169.495 169.495 174.031 -4.536 19486 4126 1 14 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.608 0.838 19486 4127 1 14 . 1 1 39 39 GLY H H 39 8.113 8.113 8.329 -0.216 19486 4128 1 14 . 1 1 40 40 GLU N N 40 122.500 122.500 119.083 3.417 19486 4129 1 14 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.068 -0.040 19486 4130 1 14 . 1 1 40 40 GLU C C 40 171.486 171.486 175.598 -4.112 19486 4131 1 14 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.260 1.459 19486 4132 1 14 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.265 0.169 19486 4133 1 14 . 1 1 40 40 GLU H H 40 8.119 8.119 7.737 0.382 19486 4134 1 14 . 1 1 41 41 ARG N N 41 120.904 120.904 119.850 1.054 19486 4135 1 14 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.283 0.655 19486 4136 1 14 . 1 1 41 41 ARG C C 41 173.428 173.428 175.067 -1.639 19486 4137 1 14 . 1 1 41 41 ARG CA C 41 55.153 55.153 54.582 0.571 19486 4138 1 14 . 1 1 41 41 ARG CB C 41 32.810 32.810 29.768 3.042 19486 4139 1 14 . 1 1 41 41 ARG H H 41 8.051 8.051 8.348 -0.297 19486 4140 1 14 . 1 1 42 42 PHE N N 42 119.481 119.481 123.738 -4.257 19486 4141 1 14 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.954 -0.266 19486 4142 1 14 . 1 1 42 42 PHE CA C 42 56.737 56.737 54.401 2.336 19486 4143 1 14 . 1 1 42 42 PHE CB C 42 41.976 41.976 39.842 2.134 19486 4144 1 14 . 1 1 42 42 PHE H H 42 8.856 8.856 8.277 0.579 19486 4145 1 14 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.231 0.558 19486 4146 1 14 . 1 1 43 43 PRO C C 43 174.319 174.319 176.679 -2.360 19486 4147 1 14 . 1 1 43 43 PRO CA C 43 63.666 63.666 64.529 -0.863 19486 4148 1 14 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.065 0.738 19486 4149 1 14 . 1 1 44 44 SER N N 44 110.500 110.500 111.594 -1.094 19486 4150 1 14 . 1 1 44 44 SER HA H 44 4.601 4.601 4.723 -0.122 19486 4151 1 14 . 1 1 44 44 SER C C 44 166.956 166.956 173.390 -6.434 19486 4152 1 14 . 1 1 44 44 SER CA C 44 55.700 55.700 56.996 -1.296 19486 4153 1 14 . 1 1 44 44 SER CB C 44 67.018 67.018 64.849 2.169 19486 4154 1 14 . 1 1 44 44 SER H H 44 7.246 7.246 7.524 -0.278 19486 4155 1 14 . 1 1 45 45 LEU N N 45 122.780 122.780 124.823 -2.043 19486 4156 1 14 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.509 -1.004 19486 4157 1 14 . 1 1 45 45 LEU C C 45 181.968 181.968 175.055 6.913 19486 4158 1 14 . 1 1 45 45 LEU CA C 45 57.272 57.272 55.270 2.002 19486 4159 1 14 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.480 0.697 19486 4160 1 14 . 1 1 45 45 LEU H H 45 8.272 8.272 8.915 -0.643 19486 4161 1 14 . 1 1 46 46 LEU N N 46 121.552 121.552 117.868 3.684 19486 4162 1 14 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.639 -0.605 19486 4163 1 14 . 1 1 46 46 LEU C C 46 180.359 180.359 178.086 2.273 19486 4164 1 14 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.171 2.465 19486 4165 1 14 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.341 -1.226 19486 4166 1 14 . 1 1 46 46 LEU H H 46 8.289 8.289 7.719 0.570 19486 4167 1 14 . 1 1 47 47 THR N N 47 109.081 109.081 115.399 -6.318 19486 4168 1 14 . 1 1 47 47 THR HA H 47 3.980 3.980 4.002 -0.022 19486 4169 1 14 . 1 1 47 47 THR C C 47 179.649 179.649 176.418 3.231 19486 4170 1 14 . 1 1 47 47 THR CA C 47 65.057 65.057 65.863 -0.806 19486 4171 1 14 . 1 1 47 47 THR CB C 47 69.160 69.160 68.430 0.730 19486 4172 1 14 . 1 1 47 47 THR H H 47 7.456 7.456 7.934 -0.478 19486 4173 1 14 . 1 1 48 48 LEU N N 48 124.194 124.194 121.909 2.285 19486 4174 1 14 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.338 -0.069 19486 4175 1 14 . 1 1 48 48 LEU C C 48 178.335 178.335 177.706 0.629 19486 4176 1 14 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.398 -0.017 19486 4177 1 14 . 1 1 48 48 LEU CB C 48 40.867 40.867 40.675 0.192 19486 4178 1 14 . 1 1 48 48 LEU H H 48 7.582 7.582 7.679 -0.097 19486 4179 1 14 . 1 1 49 49 THR N N 49 117.072 117.072 114.181 2.891 19486 4180 1 14 . 1 1 49 49 THR HA H 49 3.645 3.645 3.858 -0.213 19486 4181 1 14 . 1 1 49 49 THR C C 49 175.471 175.471 176.876 -1.405 19486 4182 1 14 . 1 1 49 49 THR CA C 49 67.720 67.720 66.702 1.018 19486 4183 1 14 . 1 1 49 49 THR CB C 49 68.791 68.791 68.328 0.463 19486 4184 1 14 . 1 1 49 49 THR H H 49 8.558 8.558 7.302 1.256 19486 4185 1 14 . 1 1 50 50 GLU N N 50 120.004 120.004 119.990 0.014 19486 4186 1 14 . 1 1 50 50 GLU HA H 50 3.929 3.929 4.062 -0.133 19486 4187 1 14 . 1 1 50 50 GLU C C 50 179.081 179.081 178.398 0.683 19486 4188 1 14 . 1 1 50 50 GLU CA C 50 59.130 59.130 58.646 0.484 19486 4189 1 14 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.298 0.386 19486 4190 1 14 . 1 1 50 50 GLU H H 50 7.966 7.966 7.786 0.180 19486 4191 1 14 . 1 1 51 51 HIS N N 51 117.288 117.288 119.423 -2.135 19486 4192 1 14 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.369 -0.120 19486 4193 1 14 . 1 1 51 51 HIS C C 51 178.240 178.240 177.163 1.077 19486 4194 1 14 . 1 1 51 51 HIS CA C 51 58.486 58.486 59.140 -0.654 19486 4195 1 14 . 1 1 51 51 HIS CB C 51 28.064 28.064 30.256 -2.192 19486 4196 1 14 . 1 1 51 51 HIS H H 51 7.377 7.377 7.856 -0.479 19486 4197 1 14 . 1 1 52 52 LYS N N 52 120.729 120.729 119.185 1.544 19486 4198 1 14 . 1 1 52 52 LYS HA H 52 3.678 3.678 3.963 -0.285 19486 4199 1 14 . 1 1 52 52 LYS C C 52 178.361 178.361 178.810 -0.449 19486 4200 1 14 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.369 1.284 19486 4201 1 14 . 1 1 52 52 LYS CB C 52 32.460 32.460 31.741 0.720 19486 4202 1 14 . 1 1 52 52 LYS H H 52 8.572 8.572 8.292 0.280 19486 4203 1 14 . 1 1 53 53 VAL N N 53 112.220 112.220 114.681 -2.461 19486 4204 1 14 . 1 1 53 53 VAL HA H 53 4.099 4.099 3.833 0.266 19486 4205 1 14 . 1 1 53 53 VAL C C 53 175.078 175.078 177.061 -1.983 19486 4206 1 14 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.483 -1.043 19486 4207 1 14 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.367 0.020 19486 4208 1 14 . 1 1 53 53 VAL H H 53 6.940 6.940 7.788 -0.848 19486 4209 1 14 . 1 1 54 54 THR N N 54 110.466 110.466 110.099 0.367 19486 4210 1 14 . 1 1 54 54 THR HA H 54 4.135 4.135 4.170 -0.035 19486 4211 1 14 . 1 1 54 54 THR C C 54 171.847 171.847 175.315 -3.468 19486 4212 1 14 . 1 1 54 54 THR CA C 54 63.056 63.056 62.316 0.740 19486 4213 1 14 . 1 1 54 54 THR CB C 54 69.595 69.595 69.000 0.595 19486 4214 1 14 . 1 1 54 54 THR H H 54 7.581 7.581 7.722 -0.141 19486 4215 1 15 . 1 1 2 2 GLY N N 2 110.487 110.487 111.258 -0.771 19486 4216 1 15 . 1 1 2 2 GLY C C 2 169.148 169.148 173.657 -4.509 19486 4217 1 15 . 1 1 2 2 GLY CA C 2 45.079 45.079 45.948 -0.869 19486 4218 1 15 . 1 1 2 2 GLY H H 2 8.216 8.216 8.473 -0.257 19486 4219 1 15 . 1 1 3 3 SER N N 3 114.424 114.424 118.784 -4.360 19486 4220 1 15 . 1 1 3 3 SER HA H 3 4.357 4.357 4.780 -0.423 19486 4221 1 15 . 1 1 3 3 SER C C 3 169.812 169.812 173.057 -3.245 19486 4222 1 15 . 1 1 3 3 SER CA C 3 58.382 58.382 57.144 1.238 19486 4223 1 15 . 1 1 3 3 SER CB C 3 64.088 64.088 64.361 -0.273 19486 4224 1 15 . 1 1 3 3 SER H H 3 7.996 7.996 7.692 0.304 19486 4225 1 15 . 1 1 4 4 HIS N N 4 122.476 122.476 123.452 -0.976 19486 4226 1 15 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.741 -0.133 19486 4227 1 15 . 1 1 4 4 HIS C C 4 170.682 170.682 174.159 -3.477 19486 4228 1 15 . 1 1 4 4 HIS CA C 4 55.362 55.362 56.376 -1.014 19486 4229 1 15 . 1 1 4 4 HIS CB C 4 30.816 30.816 33.293 -2.477 19486 4230 1 15 . 1 1 4 4 HIS H H 4 8.315 8.315 8.546 -0.231 19486 4231 1 15 . 1 1 5 5 LYS N N 5 125.975 125.975 122.198 3.777 19486 4232 1 15 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.565 0.190 19486 4233 1 15 . 1 1 5 5 LYS C C 5 172.684 172.684 175.693 -3.009 19486 4234 1 15 . 1 1 5 5 LYS CA C 5 55.663 55.663 55.406 0.257 19486 4235 1 15 . 1 1 5 5 LYS CB C 5 35.248 35.248 33.792 1.456 19486 4236 1 15 . 1 1 5 5 LYS H H 5 8.655 8.655 8.653 0.002 19486 4237 1 15 . 1 1 6 6 CYS N N 6 127.588 127.588 128.365 -0.777 19486 4238 1 15 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.531 -0.075 19486 4239 1 15 . 1 1 6 6 CYS C C 6 175.723 175.723 175.818 -0.095 19486 4240 1 15 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.444 1.774 19486 4241 1 15 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.142 3.571 19486 4242 1 15 . 1 1 6 6 CYS H H 6 9.046 9.046 8.848 0.198 19486 4243 1 15 . 1 1 7 7 ASN N N 7 128.450 128.450 126.253 2.197 19486 4244 1 15 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.370 0.238 19486 4245 1 15 . 1 1 7 7 ASN C C 7 172.781 172.781 177.013 -4.232 19486 4246 1 15 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.798 -1.780 19486 4247 1 15 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.283 -0.142 19486 4248 1 15 . 1 1 7 7 ASN H H 7 9.075 9.075 8.492 0.583 19486 4249 1 15 . 1 1 8 8 VAL N N 8 123.473 123.473 119.097 4.376 19486 4250 1 15 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.672 0.133 19486 4251 1 15 . 1 1 8 8 VAL C C 8 176.694 176.694 176.980 -0.286 19486 4252 1 15 . 1 1 8 8 VAL CA C 8 65.026 65.026 65.029 -0.003 19486 4253 1 15 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.374 1.588 19486 4254 1 15 . 1 1 8 8 VAL H H 8 9.223 9.223 7.931 1.292 19486 4255 1 15 . 1 1 9 9 CYS N N 9 118.379 118.379 115.761 2.618 19486 4256 1 15 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.639 0.520 19486 4257 1 15 . 1 1 9 9 CYS C C 9 173.754 173.754 174.933 -1.179 19486 4258 1 15 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.131 -0.679 19486 4259 1 15 . 1 1 9 9 CYS CB C 9 32.344 32.344 27.807 4.537 19486 4260 1 15 . 1 1 9 9 CYS H H 9 8.457 8.457 7.969 0.488 19486 4261 1 15 . 1 1 10 10 SER N N 10 114.054 114.054 110.528 3.526 19486 4262 1 15 . 1 1 10 10 SER HA H 10 4.260 4.260 4.182 0.078 19486 4263 1 15 . 1 1 10 10 SER C C 10 169.209 169.209 173.834 -4.625 19486 4264 1 15 . 1 1 10 10 SER CA C 10 61.286 61.286 60.076 1.210 19486 4265 1 15 . 1 1 10 10 SER CB C 10 62.173 62.173 61.816 0.357 19486 4266 1 15 . 1 1 10 10 SER H H 10 7.910 7.910 8.294 -0.384 19486 4267 1 15 . 1 1 11 11 ARG N N 11 122.514 122.514 119.548 2.966 19486 4268 1 15 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.703 -0.625 19486 4269 1 15 . 1 1 11 11 ARG C C 11 172.193 172.193 174.676 -2.483 19486 4270 1 15 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.505 3.384 19486 4271 1 15 . 1 1 11 11 ARG CB C 11 31.569 31.569 33.474 -1.905 19486 4272 1 15 . 1 1 11 11 ARG H H 11 8.047 8.047 7.552 0.495 19486 4273 1 15 . 1 1 12 12 THR N N 12 111.399 111.399 113.354 -1.955 19486 4274 1 15 . 1 1 12 12 THR HA H 12 4.896 4.896 4.773 0.123 19486 4275 1 15 . 1 1 12 12 THR C C 12 168.910 168.910 173.322 -4.412 19486 4276 1 15 . 1 1 12 12 THR CA C 12 60.396 60.396 60.398 -0.002 19486 4277 1 15 . 1 1 12 12 THR CB C 12 71.239 71.239 70.546 0.692 19486 4278 1 15 . 1 1 12 12 THR H H 12 7.716 7.716 8.014 -0.298 19486 4279 1 15 . 1 1 13 13 PHE N N 13 118.814 118.814 124.450 -5.636 19486 4280 1 15 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.386 0.054 19486 4281 1 15 . 1 1 13 13 PHE C C 13 173.256 173.256 174.848 -1.592 19486 4282 1 15 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.582 0.997 19486 4283 1 15 . 1 1 13 13 PHE CB C 13 43.109 43.109 41.696 1.413 19486 4284 1 15 . 1 1 13 13 PHE H H 13 8.527 8.527 8.234 0.293 19486 4285 1 15 . 1 1 14 14 PHE N N 14 119.476 119.476 122.323 -2.847 19486 4286 1 15 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.443 0.357 19486 4287 1 15 . 1 1 14 14 PHE C C 14 173.255 173.255 174.982 -1.727 19486 4288 1 15 . 1 1 14 14 PHE CA C 14 59.206 59.206 58.868 0.338 19486 4289 1 15 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.137 0.299 19486 4290 1 15 . 1 1 14 14 PHE H H 14 8.975 8.975 8.015 0.960 19486 4291 1 15 . 1 1 15 15 SER N N 15 111.316 111.316 113.488 -2.172 19486 4292 1 15 . 1 1 15 15 SER HA H 15 4.573 4.573 5.021 -0.448 19486 4293 1 15 . 1 1 15 15 SER C C 15 169.172 169.172 174.703 -5.531 19486 4294 1 15 . 1 1 15 15 SER CA C 15 55.948 55.948 56.352 -0.404 19486 4295 1 15 . 1 1 15 15 SER CB C 15 67.029 67.029 66.228 0.801 19486 4296 1 15 . 1 1 15 15 SER H H 15 7.813 7.813 7.703 0.110 19486 4297 1 15 . 1 1 16 16 GLU N N 16 123.055 123.055 126.003 -2.948 19486 4298 1 15 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.022 -0.602 19486 4299 1 15 . 1 1 16 16 GLU C C 16 179.932 179.932 177.785 2.147 19486 4300 1 15 . 1 1 16 16 GLU CA C 16 59.294 59.294 60.174 -0.880 19486 4301 1 15 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.857 -0.819 19486 4302 1 15 . 1 1 16 16 GLU H H 16 8.755 8.755 8.357 0.398 19486 4303 1 15 . 1 1 17 17 ASN N N 17 117.537 117.537 116.746 0.791 19486 4304 1 15 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.547 -0.262 19486 4305 1 15 . 1 1 17 17 ASN C C 17 177.403 177.403 177.521 -0.118 19486 4306 1 15 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.558 0.886 19486 4307 1 15 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.471 0.483 19486 4308 1 15 . 1 1 17 17 ASN H H 17 8.548 8.548 8.710 -0.162 19486 4309 1 15 . 1 1 18 18 GLY N N 18 108.587 108.587 108.617 -0.030 19486 4310 1 15 . 1 1 18 18 GLY C C 18 175.491 175.491 175.219 0.272 19486 4311 1 15 . 1 1 18 18 GLY CA C 18 46.689 46.689 45.541 1.148 19486 4312 1 15 . 1 1 18 18 GLY H H 18 8.038 8.038 7.862 0.176 19486 4313 1 15 . 1 1 19 19 LEU N N 19 123.120 123.120 123.285 -0.165 19486 4314 1 15 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.046 -0.829 19486 4315 1 15 . 1 1 19 19 LEU C C 19 176.975 176.975 178.579 -1.604 19486 4316 1 15 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.604 0.170 19486 4317 1 15 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.630 -0.735 19486 4318 1 15 . 1 1 19 19 LEU H H 19 7.240 7.240 7.945 -0.705 19486 4319 1 15 . 1 1 20 20 ARG N N 20 119.506 119.506 117.296 2.210 19486 4320 1 15 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.975 -0.191 19486 4321 1 15 . 1 1 20 20 ARG C C 20 181.705 181.705 178.659 3.046 19486 4322 1 15 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.468 1.915 19486 4323 1 15 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.427 0.500 19486 4324 1 15 . 1 1 20 20 ARG H H 20 8.426 8.426 7.930 0.496 19486 4325 1 15 . 1 1 21 21 GLU N N 21 117.954 117.954 118.278 -0.324 19486 4326 1 15 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.105 -0.165 19486 4327 1 15 . 1 1 21 21 GLU C C 21 180.973 180.973 178.317 2.656 19486 4328 1 15 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.429 0.726 19486 4329 1 15 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.658 -0.036 19486 4330 1 15 . 1 1 21 21 GLU H H 21 7.961 7.961 7.640 0.321 19486 4331 1 15 . 1 1 22 22 HIS N N 22 119.084 119.084 119.156 -0.072 19486 4332 1 15 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.407 -0.171 19486 4333 1 15 . 1 1 22 22 HIS C C 22 179.182 179.182 177.255 1.927 19486 4334 1 15 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.635 0.225 19486 4335 1 15 . 1 1 22 22 HIS CB C 22 28.259 28.259 30.077 -1.818 19486 4336 1 15 . 1 1 22 22 HIS H H 22 7.434 7.434 7.726 -0.292 19486 4337 1 15 . 1 1 23 23 LEU N N 23 122.153 122.153 120.298 1.855 19486 4338 1 15 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.181 -0.416 19486 4339 1 15 . 1 1 23 23 LEU C C 23 181.265 181.265 178.516 2.749 19486 4340 1 15 . 1 1 23 23 LEU CA C 23 58.587 58.587 56.867 1.720 19486 4341 1 15 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.715 0.125 19486 4342 1 15 . 1 1 23 23 LEU H H 23 8.835 8.835 8.029 0.806 19486 4343 1 15 . 1 1 24 24 GLN N N 24 115.740 115.740 116.886 -1.146 19486 4344 1 15 . 1 1 24 24 GLN HA H 24 4.008 4.008 3.997 0.011 19486 4345 1 15 . 1 1 24 24 GLN C C 24 178.454 178.454 178.020 0.434 19486 4346 1 15 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.196 -0.226 19486 4347 1 15 . 1 1 24 24 GLN CB C 24 28.431 28.431 27.694 0.737 19486 4348 1 15 . 1 1 24 24 GLN H H 24 7.142 7.142 7.645 -0.503 19486 4349 1 15 . 1 1 25 25 THR N N 25 109.376 109.376 114.230 -4.854 19486 4350 1 15 . 1 1 25 25 THR HA H 25 4.129 4.129 4.070 0.059 19486 4351 1 15 . 1 1 25 25 THR C C 25 173.471 173.471 175.997 -2.526 19486 4352 1 15 . 1 1 25 25 THR CA C 25 63.754 63.754 63.648 0.106 19486 4353 1 15 . 1 1 25 25 THR CB C 25 69.467 69.467 68.867 0.600 19486 4354 1 15 . 1 1 25 25 THR H H 25 7.801 7.801 7.553 0.248 19486 4355 1 15 . 1 1 26 26 HIS N N 26 118.158 118.158 121.351 -3.193 19486 4356 1 15 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.687 0.204 19486 4357 1 15 . 1 1 26 26 HIS C C 26 171.847 171.847 175.258 -3.411 19486 4358 1 15 . 1 1 26 26 HIS CA C 26 55.083 55.083 55.898 -0.815 19486 4359 1 15 . 1 1 26 26 HIS CB C 26 28.686 28.686 28.439 0.246 19486 4360 1 15 . 1 1 26 26 HIS H H 26 7.095 7.095 7.591 -0.496 19486 4361 1 15 . 1 1 27 27 ARG N N 27 120.083 120.083 119.285 0.798 19486 4362 1 15 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.293 0.107 19486 4363 1 15 . 1 1 27 27 ARG C C 27 175.194 175.194 176.360 -1.166 19486 4364 1 15 . 1 1 27 27 ARG CA C 27 56.387 56.387 56.817 -0.430 19486 4365 1 15 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.637 0.623 19486 4366 1 15 . 1 1 27 27 ARG H H 27 7.630 7.630 7.616 0.014 19486 4367 1 15 . 1 1 28 28 GLY N N 28 109.773 109.773 109.390 0.383 19486 4368 1 15 . 1 1 28 28 GLY CA C 28 44.632 44.632 43.795 0.837 19486 4369 1 15 . 1 1 28 28 GLY H H 28 8.217 8.217 7.788 0.429 19486 4370 1 15 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.555 -0.168 19486 4371 1 15 . 1 1 29 29 PRO C C 29 176.069 176.069 176.337 -0.268 19486 4372 1 15 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.513 0.517 19486 4373 1 15 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.354 -0.127 19486 4374 1 15 . 1 1 30 30 ALA N N 30 124.277 124.277 128.600 -4.323 19486 4375 1 15 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.343 -0.152 19486 4376 1 15 . 1 1 30 30 ALA C C 30 177.466 177.466 177.612 -0.146 19486 4377 1 15 . 1 1 30 30 ALA CA C 30 52.423 52.423 53.894 -1.471 19486 4378 1 15 . 1 1 30 30 ALA CB C 30 19.185 19.185 19.443 -0.258 19486 4379 1 15 . 1 1 30 30 ALA H H 30 8.312 8.312 8.742 -0.430 19486 4380 1 15 . 1 1 31 31 LYS N N 31 120.503 120.503 118.528 1.975 19486 4381 1 15 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.773 -0.620 19486 4382 1 15 . 1 1 31 31 LYS C C 31 173.444 173.444 174.413 -0.969 19486 4383 1 15 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.071 -0.101 19486 4384 1 15 . 1 1 31 31 LYS CB C 31 33.189 33.189 33.628 -0.439 19486 4385 1 15 . 1 1 31 31 LYS H H 31 8.160 8.160 8.244 -0.084 19486 4386 1 15 . 1 1 32 32 HIS N N 32 118.745 118.745 119.530 -0.785 19486 4387 1 15 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.904 -0.262 19486 4388 1 15 . 1 1 32 32 HIS C C 32 171.199 171.199 173.977 -2.778 19486 4389 1 15 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.005 0.636 19486 4390 1 15 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.421 1.872 19486 4391 1 15 . 1 1 32 32 HIS H H 32 7.888 7.888 8.035 -0.147 19486 4392 1 15 . 1 1 33 33 TYR N N 33 120.158 120.158 126.348 -6.190 19486 4393 1 15 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.785 -0.241 19486 4394 1 15 . 1 1 33 33 TYR C C 33 172.174 172.174 174.158 -1.984 19486 4395 1 15 . 1 1 33 33 TYR CA C 33 57.776 57.776 56.570 1.206 19486 4396 1 15 . 1 1 33 33 TYR CB C 33 39.394 39.394 42.043 -2.649 19486 4397 1 15 . 1 1 33 33 TYR H H 33 8.672 8.672 8.242 0.430 19486 4398 1 15 . 1 1 34 34 MET N N 34 123.629 123.629 122.276 1.353 19486 4399 1 15 . 1 1 34 34 MET HA H 34 5.113 5.113 5.213 -0.100 19486 4400 1 15 . 1 1 34 34 MET C C 34 172.661 172.661 175.649 -2.988 19486 4401 1 15 . 1 1 34 34 MET CA C 34 54.285 54.285 54.211 0.074 19486 4402 1 15 . 1 1 34 34 MET CB C 34 35.606 35.606 35.578 0.028 19486 4403 1 15 . 1 1 34 34 MET H H 34 8.770 8.770 8.412 0.358 19486 4404 1 15 . 1 1 35 35 CYS N N 35 128.648 128.648 126.650 1.998 19486 4405 1 15 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.853 -0.039 19486 4406 1 15 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.192 0.037 19486 4407 1 15 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.749 2.664 19486 4408 1 15 . 1 1 35 35 CYS H H 35 9.412 9.412 8.845 0.567 19486 4409 1 15 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.407 0.120 19486 4410 1 15 . 1 1 36 36 PRO C C 36 175.359 175.359 177.338 -1.979 19486 4411 1 15 . 1 1 36 36 PRO CA C 36 64.130 64.130 64.840 -0.710 19486 4412 1 15 . 1 1 36 36 PRO CB C 36 32.327 32.327 32.061 0.266 19486 4413 1 15 . 1 1 37 37 ILE N N 37 121.680 121.680 118.503 3.177 19486 4414 1 15 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.895 0.011 19486 4415 1 15 . 1 1 37 37 ILE C C 37 176.316 176.316 177.713 -1.397 19486 4416 1 15 . 1 1 37 37 ILE CA C 37 63.160 63.160 63.052 0.108 19486 4417 1 15 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.230 0.103 19486 4418 1 15 . 1 1 37 37 ILE H H 37 8.802 8.802 7.931 0.871 19486 4419 1 15 . 1 1 38 38 CYS N N 38 115.962 115.962 114.864 1.098 19486 4420 1 15 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.914 0.223 19486 4421 1 15 . 1 1 38 38 CYS C C 38 175.994 175.994 175.758 0.236 19486 4422 1 15 . 1 1 38 38 CYS CA C 38 58.260 58.260 58.702 -0.442 19486 4423 1 15 . 1 1 38 38 CYS CB C 38 32.806 32.806 30.271 2.535 19486 4424 1 15 . 1 1 38 38 CYS H H 38 8.070 8.070 8.414 -0.344 19486 4425 1 15 . 1 1 39 39 GLY N N 39 113.286 113.286 112.413 0.873 19486 4426 1 15 . 1 1 39 39 GLY C C 39 169.495 169.495 174.094 -4.599 19486 4427 1 15 . 1 1 39 39 GLY CA C 39 46.446 46.446 44.868 1.578 19486 4428 1 15 . 1 1 39 39 GLY H H 39 8.113 8.113 8.466 -0.353 19486 4429 1 15 . 1 1 40 40 GLU N N 40 122.500 122.500 118.475 4.025 19486 4430 1 15 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.202 -0.174 19486 4431 1 15 . 1 1 40 40 GLU C C 40 171.486 171.486 174.874 -3.388 19486 4432 1 15 . 1 1 40 40 GLU CA C 40 57.719 57.719 54.928 2.791 19486 4433 1 15 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.503 -0.069 19486 4434 1 15 . 1 1 40 40 GLU H H 40 8.119 8.119 8.313 -0.194 19486 4435 1 15 . 1 1 41 41 ARG N N 41 120.904 120.904 120.273 0.631 19486 4436 1 15 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.201 0.737 19486 4437 1 15 . 1 1 41 41 ARG C C 41 173.428 173.428 175.474 -2.046 19486 4438 1 15 . 1 1 41 41 ARG CA C 41 55.153 55.153 55.957 -0.804 19486 4439 1 15 . 1 1 41 41 ARG CB C 41 32.810 32.810 31.249 1.561 19486 4440 1 15 . 1 1 41 41 ARG H H 41 8.051 8.051 8.270 -0.219 19486 4441 1 15 . 1 1 42 42 PHE N N 42 119.481 119.481 122.933 -3.452 19486 4442 1 15 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.833 -0.145 19486 4443 1 15 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.402 1.335 19486 4444 1 15 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.165 0.811 19486 4445 1 15 . 1 1 42 42 PHE H H 42 8.856 8.856 8.543 0.313 19486 4446 1 15 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.427 0.362 19486 4447 1 15 . 1 1 43 43 PRO C C 43 174.319 174.319 176.514 -2.195 19486 4448 1 15 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.521 0.145 19486 4449 1 15 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.083 0.720 19486 4450 1 15 . 1 1 44 44 SER N N 44 110.500 110.500 112.644 -2.144 19486 4451 1 15 . 1 1 44 44 SER HA H 44 4.601 4.601 5.015 -0.414 19486 4452 1 15 . 1 1 44 44 SER C C 44 166.956 166.956 173.813 -6.857 19486 4453 1 15 . 1 1 44 44 SER CA C 44 55.700 55.700 56.746 -1.046 19486 4454 1 15 . 1 1 44 44 SER CB C 44 67.018 67.018 65.714 1.304 19486 4455 1 15 . 1 1 44 44 SER H H 44 7.246 7.246 7.509 -0.263 19486 4456 1 15 . 1 1 45 45 LEU N N 45 122.780 122.780 123.684 -0.904 19486 4457 1 15 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.347 -0.842 19486 4458 1 15 . 1 1 45 45 LEU C C 45 181.968 181.968 175.134 6.834 19486 4459 1 15 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.822 2.450 19486 4460 1 15 . 1 1 45 45 LEU CB C 45 41.177 41.177 39.794 1.383 19486 4461 1 15 . 1 1 45 45 LEU H H 45 8.272 8.272 8.777 -0.505 19486 4462 1 15 . 1 1 46 46 LEU N N 46 121.552 121.552 124.275 -2.723 19486 4463 1 15 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.522 -0.488 19486 4464 1 15 . 1 1 46 46 LEU C C 46 180.359 180.359 177.130 3.229 19486 4465 1 15 . 1 1 46 46 LEU CA C 46 58.636 58.636 57.089 1.548 19486 4466 1 15 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.487 -1.372 19486 4467 1 15 . 1 1 46 46 LEU H H 46 8.289 8.289 7.858 0.431 19486 4468 1 15 . 1 1 47 47 THR N N 47 109.081 109.081 115.878 -6.797 19486 4469 1 15 . 1 1 47 47 THR HA H 47 3.980 3.980 4.029 -0.049 19486 4470 1 15 . 1 1 47 47 THR C C 47 179.649 179.649 176.135 3.514 19486 4471 1 15 . 1 1 47 47 THR CA C 47 65.057 65.057 65.998 -0.941 19486 4472 1 15 . 1 1 47 47 THR CB C 47 69.160 69.160 68.613 0.547 19486 4473 1 15 . 1 1 47 47 THR H H 47 7.456 7.456 8.106 -0.650 19486 4474 1 15 . 1 1 48 48 LEU N N 48 124.194 124.194 121.325 2.869 19486 4475 1 15 . 1 1 48 48 LEU HA H 48 3.269 3.269 2.763 0.506 19486 4476 1 15 . 1 1 48 48 LEU C C 48 178.335 178.335 177.677 0.658 19486 4477 1 15 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.135 0.246 19486 4478 1 15 . 1 1 48 48 LEU CB C 48 40.867 40.867 40.755 0.112 19486 4479 1 15 . 1 1 48 48 LEU H H 48 7.582 7.582 7.404 0.178 19486 4480 1 15 . 1 1 49 49 THR N N 49 117.072 117.072 114.566 2.506 19486 4481 1 15 . 1 1 49 49 THR HA H 49 3.645 3.645 3.907 -0.262 19486 4482 1 15 . 1 1 49 49 THR C C 49 175.471 175.471 176.927 -1.456 19486 4483 1 15 . 1 1 49 49 THR CA C 49 67.720 67.720 66.672 1.048 19486 4484 1 15 . 1 1 49 49 THR CB C 49 68.791 68.791 68.158 0.633 19486 4485 1 15 . 1 1 49 49 THR H H 49 8.558 8.558 7.214 1.344 19486 4486 1 15 . 1 1 50 50 GLU N N 50 120.004 120.004 120.747 -0.743 19486 4487 1 15 . 1 1 50 50 GLU HA H 50 3.929 3.929 4.037 -0.108 19486 4488 1 15 . 1 1 50 50 GLU C C 50 179.081 179.081 179.140 -0.059 19486 4489 1 15 . 1 1 50 50 GLU CA C 50 59.130 59.130 58.986 0.144 19486 4490 1 15 . 1 1 50 50 GLU CB C 50 29.684 29.684 28.867 0.817 19486 4491 1 15 . 1 1 50 50 GLU H H 50 7.966 7.966 7.909 0.057 19486 4492 1 15 . 1 1 51 51 HIS N N 51 117.288 117.288 119.703 -2.415 19486 4493 1 15 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.473 -0.224 19486 4494 1 15 . 1 1 51 51 HIS C C 51 178.240 178.240 176.507 1.733 19486 4495 1 15 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.515 -0.029 19486 4496 1 15 . 1 1 51 51 HIS CB C 51 28.064 28.064 30.239 -2.175 19486 4497 1 15 . 1 1 51 51 HIS H H 51 7.377 7.377 7.941 -0.564 19486 4498 1 15 . 1 1 52 52 LYS N N 52 120.729 120.729 118.694 2.035 19486 4499 1 15 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.048 -0.370 19486 4500 1 15 . 1 1 52 52 LYS C C 52 178.361 178.361 179.250 -0.889 19486 4501 1 15 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.548 1.105 19486 4502 1 15 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.614 -0.154 19486 4503 1 15 . 1 1 52 52 LYS H H 52 8.572 8.572 7.885 0.687 19486 4504 1 15 . 1 1 53 53 VAL N N 53 112.220 112.220 115.397 -3.177 19486 4505 1 15 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.019 0.080 19486 4506 1 15 . 1 1 53 53 VAL C C 53 175.078 175.078 177.239 -2.161 19486 4507 1 15 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.945 -1.505 19486 4508 1 15 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.635 -0.248 19486 4509 1 15 . 1 1 53 53 VAL H H 53 6.940 6.940 7.642 -0.702 19486 4510 1 15 . 1 1 54 54 THR N N 54 110.466 110.466 110.345 0.121 19486 4511 1 15 . 1 1 54 54 THR HA H 54 4.135 4.135 4.201 -0.066 19486 4512 1 15 . 1 1 54 54 THR C C 54 171.847 171.847 175.187 -3.340 19486 4513 1 15 . 1 1 54 54 THR CA C 54 63.056 63.056 62.023 1.033 19486 4514 1 15 . 1 1 54 54 THR CB C 54 69.595 69.595 68.878 0.717 19486 4515 1 15 . 1 1 54 54 THR H H 54 7.581 7.581 7.657 -0.076 19486 4516 1 16 . 1 1 2 2 GLY N N 2 110.487 110.487 110.729 -0.242 19486 4517 1 16 . 1 1 2 2 GLY C C 2 169.148 169.148 172.906 -3.758 19486 4518 1 16 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.986 0.092 19486 4519 1 16 . 1 1 2 2 GLY H H 2 8.216 8.216 9.134 -0.918 19486 4520 1 16 . 1 1 3 3 SER N N 3 114.424 114.424 116.929 -2.505 19486 4521 1 16 . 1 1 3 3 SER HA H 3 4.357 4.357 4.559 -0.202 19486 4522 1 16 . 1 1 3 3 SER C C 3 169.812 169.812 173.552 -3.740 19486 4523 1 16 . 1 1 3 3 SER CA C 3 58.382 58.382 58.501 -0.119 19486 4524 1 16 . 1 1 3 3 SER CB C 3 64.088 64.088 63.630 0.458 19486 4525 1 16 . 1 1 3 3 SER H H 3 7.996 7.996 8.105 -0.109 19486 4526 1 16 . 1 1 4 4 HIS N N 4 122.476 122.476 126.711 -4.235 19486 4527 1 16 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.408 0.200 19486 4528 1 16 . 1 1 4 4 HIS C C 4 170.682 170.682 173.340 -2.658 19486 4529 1 16 . 1 1 4 4 HIS CA C 4 55.362 55.362 55.163 0.198 19486 4530 1 16 . 1 1 4 4 HIS CB C 4 30.816 30.816 27.936 2.881 19486 4531 1 16 . 1 1 4 4 HIS H H 4 8.315 8.315 8.181 0.134 19486 4532 1 16 . 1 1 5 5 LYS N N 5 125.975 125.975 122.007 3.968 19486 4533 1 16 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.667 0.088 19486 4534 1 16 . 1 1 5 5 LYS C C 5 172.684 172.684 175.270 -2.586 19486 4535 1 16 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.787 0.876 19486 4536 1 16 . 1 1 5 5 LYS CB C 5 35.248 35.248 35.257 -0.009 19486 4537 1 16 . 1 1 5 5 LYS H H 5 8.655 8.655 7.586 1.069 19486 4538 1 16 . 1 1 6 6 CYS N N 6 127.588 127.588 128.203 -0.615 19486 4539 1 16 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.634 -0.178 19486 4540 1 16 . 1 1 6 6 CYS C C 6 175.723 175.723 175.879 -0.156 19486 4541 1 16 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.355 1.863 19486 4542 1 16 . 1 1 6 6 CYS CB C 6 29.713 29.713 25.883 3.830 19486 4543 1 16 . 1 1 6 6 CYS H H 6 9.046 9.046 8.707 0.339 19486 4544 1 16 . 1 1 7 7 ASN N N 7 128.450 128.450 126.834 1.616 19486 4545 1 16 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.336 0.272 19486 4546 1 16 . 1 1 7 7 ASN C C 7 172.781 172.781 176.751 -3.970 19486 4547 1 16 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.310 -1.292 19486 4548 1 16 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.290 -0.149 19486 4549 1 16 . 1 1 7 7 ASN H H 7 9.075 9.075 8.532 0.543 19486 4550 1 16 . 1 1 8 8 VAL N N 8 123.473 123.473 118.873 4.600 19486 4551 1 16 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.672 0.133 19486 4552 1 16 . 1 1 8 8 VAL C C 8 176.694 176.694 177.160 -0.466 19486 4553 1 16 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.997 0.029 19486 4554 1 16 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.461 1.501 19486 4555 1 16 . 1 1 8 8 VAL H H 8 9.223 9.223 8.210 1.013 19486 4556 1 16 . 1 1 9 9 CYS N N 9 118.379 118.379 116.719 1.660 19486 4557 1 16 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.583 0.576 19486 4558 1 16 . 1 1 9 9 CYS C C 9 173.754 173.754 175.408 -1.654 19486 4559 1 16 . 1 1 9 9 CYS CA C 9 58.452 58.452 58.981 -0.529 19486 4560 1 16 . 1 1 9 9 CYS CB C 9 32.344 32.344 27.684 4.660 19486 4561 1 16 . 1 1 9 9 CYS H H 9 8.457 8.457 8.370 0.087 19486 4562 1 16 . 1 1 10 10 SER N N 10 114.054 114.054 110.261 3.793 19486 4563 1 16 . 1 1 10 10 SER HA H 10 4.260 4.260 4.147 0.113 19486 4564 1 16 . 1 1 10 10 SER C C 10 169.209 169.209 173.220 -4.011 19486 4565 1 16 . 1 1 10 10 SER CA C 10 61.286 61.286 59.933 1.353 19486 4566 1 16 . 1 1 10 10 SER CB C 10 62.173 62.173 62.087 0.086 19486 4567 1 16 . 1 1 10 10 SER H H 10 7.910 7.910 8.592 -0.682 19486 4568 1 16 . 1 1 11 11 ARG N N 11 122.514 122.514 118.152 4.362 19486 4569 1 16 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.834 -0.756 19486 4570 1 16 . 1 1 11 11 ARG C C 11 172.193 172.193 174.508 -2.315 19486 4571 1 16 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.678 3.211 19486 4572 1 16 . 1 1 11 11 ARG CB C 11 31.569 31.569 32.255 -0.686 19486 4573 1 16 . 1 1 11 11 ARG H H 11 8.047 8.047 7.455 0.592 19486 4574 1 16 . 1 1 12 12 THR N N 12 111.399 111.399 113.475 -2.076 19486 4575 1 16 . 1 1 12 12 THR HA H 12 4.896 4.896 4.625 0.271 19486 4576 1 16 . 1 1 12 12 THR C C 12 168.910 168.910 174.757 -5.847 19486 4577 1 16 . 1 1 12 12 THR CA C 12 60.396 60.396 60.517 -0.121 19486 4578 1 16 . 1 1 12 12 THR CB C 12 71.239 71.239 70.210 1.029 19486 4579 1 16 . 1 1 12 12 THR H H 12 7.716 7.716 8.164 -0.448 19486 4580 1 16 . 1 1 13 13 PHE N N 13 118.814 118.814 124.984 -6.170 19486 4581 1 16 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.659 -0.219 19486 4582 1 16 . 1 1 13 13 PHE C C 13 173.256 173.256 174.699 -1.443 19486 4583 1 16 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.200 1.379 19486 4584 1 16 . 1 1 13 13 PHE CB C 13 43.109 43.109 38.915 4.194 19486 4585 1 16 . 1 1 13 13 PHE H H 13 8.527 8.527 8.711 -0.184 19486 4586 1 16 . 1 1 14 14 PHE N N 14 119.476 119.476 118.690 0.786 19486 4587 1 16 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.416 0.384 19486 4588 1 16 . 1 1 14 14 PHE C C 14 173.255 173.255 174.648 -1.393 19486 4589 1 16 . 1 1 14 14 PHE CA C 14 59.206 59.206 58.346 0.860 19486 4590 1 16 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.623 -0.187 19486 4591 1 16 . 1 1 14 14 PHE H H 14 8.975 8.975 8.223 0.752 19486 4592 1 16 . 1 1 15 15 SER N N 15 111.316 111.316 116.995 -5.679 19486 4593 1 16 . 1 1 15 15 SER HA H 15 4.573 4.573 4.660 -0.087 19486 4594 1 16 . 1 1 15 15 SER C C 15 169.172 169.172 175.138 -5.966 19486 4595 1 16 . 1 1 15 15 SER CA C 15 55.948 55.948 56.924 -0.976 19486 4596 1 16 . 1 1 15 15 SER CB C 15 67.029 67.029 65.947 1.082 19486 4597 1 16 . 1 1 15 15 SER H H 15 7.813 7.813 8.049 -0.236 19486 4598 1 16 . 1 1 16 16 GLU N N 16 123.055 123.055 123.103 -0.048 19486 4599 1 16 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.011 -0.591 19486 4600 1 16 . 1 1 16 16 GLU C C 16 179.932 179.932 178.119 1.813 19486 4601 1 16 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.210 0.084 19486 4602 1 16 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.412 -0.374 19486 4603 1 16 . 1 1 16 16 GLU H H 16 8.755 8.755 9.008 -0.253 19486 4604 1 16 . 1 1 17 17 ASN N N 17 117.537 117.537 118.117 -0.580 19486 4605 1 16 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.668 -0.383 19486 4606 1 16 . 1 1 17 17 ASN C C 17 177.403 177.403 177.585 -0.182 19486 4607 1 16 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.052 1.392 19486 4608 1 16 . 1 1 17 17 ASN CB C 17 37.954 37.954 38.152 -0.198 19486 4609 1 16 . 1 1 17 17 ASN H H 17 8.548 8.548 8.739 -0.191 19486 4610 1 16 . 1 1 18 18 GLY N N 18 108.587 108.587 109.540 -0.953 19486 4611 1 16 . 1 1 18 18 GLY C C 18 175.491 175.491 176.524 -1.033 19486 4612 1 16 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.840 -0.151 19486 4613 1 16 . 1 1 18 18 GLY H H 18 8.038 8.038 8.347 -0.309 19486 4614 1 16 . 1 1 19 19 LEU N N 19 123.120 123.120 122.900 0.220 19486 4615 1 16 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.228 -1.011 19486 4616 1 16 . 1 1 19 19 LEU C C 19 176.975 176.975 178.803 -1.828 19486 4617 1 16 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.711 0.063 19486 4618 1 16 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.608 -0.713 19486 4619 1 16 . 1 1 19 19 LEU H H 19 7.240 7.240 7.833 -0.593 19486 4620 1 16 . 1 1 20 20 ARG N N 20 119.506 119.506 118.065 1.441 19486 4621 1 16 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.988 -0.204 19486 4622 1 16 . 1 1 20 20 ARG C C 20 181.705 181.705 179.104 2.601 19486 4623 1 16 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.673 1.710 19486 4624 1 16 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.401 0.526 19486 4625 1 16 . 1 1 20 20 ARG H H 20 8.426 8.426 7.549 0.877 19486 4626 1 16 . 1 1 21 21 GLU N N 21 117.954 117.954 118.650 -0.696 19486 4627 1 16 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.119 -0.179 19486 4628 1 16 . 1 1 21 21 GLU C C 21 180.973 180.973 179.490 1.483 19486 4629 1 16 . 1 1 21 21 GLU CA C 21 59.155 59.155 59.027 0.128 19486 4630 1 16 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.753 -0.131 19486 4631 1 16 . 1 1 21 21 GLU H H 21 7.961 7.961 8.101 -0.140 19486 4632 1 16 . 1 1 22 22 HIS N N 22 119.084 119.084 120.111 -1.027 19486 4633 1 16 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.414 -0.178 19486 4634 1 16 . 1 1 22 22 HIS C C 22 179.182 179.182 177.585 1.597 19486 4635 1 16 . 1 1 22 22 HIS CA C 22 58.860 58.860 59.052 -0.192 19486 4636 1 16 . 1 1 22 22 HIS CB C 22 28.259 28.259 30.035 -1.776 19486 4637 1 16 . 1 1 22 22 HIS H H 22 7.434 7.434 8.110 -0.676 19486 4638 1 16 . 1 1 23 23 LEU N N 23 122.153 122.153 120.076 2.077 19486 4639 1 16 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.286 -0.521 19486 4640 1 16 . 1 1 23 23 LEU C C 23 181.265 181.265 178.329 2.936 19486 4641 1 16 . 1 1 23 23 LEU CA C 23 58.587 58.587 56.962 1.625 19486 4642 1 16 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.723 0.117 19486 4643 1 16 . 1 1 23 23 LEU H H 23 8.835 8.835 8.160 0.675 19486 4644 1 16 . 1 1 24 24 GLN N N 24 115.740 115.740 117.215 -1.475 19486 4645 1 16 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.139 -0.131 19486 4646 1 16 . 1 1 24 24 GLN C C 24 178.454 178.454 177.932 0.522 19486 4647 1 16 . 1 1 24 24 GLN CA C 24 57.970 57.970 57.446 0.524 19486 4648 1 16 . 1 1 24 24 GLN CB C 24 28.431 28.431 27.837 0.594 19486 4649 1 16 . 1 1 24 24 GLN H H 24 7.142 7.142 7.767 -0.625 19486 4650 1 16 . 1 1 25 25 THR N N 25 109.376 109.376 110.852 -1.476 19486 4651 1 16 . 1 1 25 25 THR HA H 25 4.129 4.129 3.987 0.142 19486 4652 1 16 . 1 1 25 25 THR C C 25 173.471 173.471 175.302 -1.831 19486 4653 1 16 . 1 1 25 25 THR CA C 25 63.754 63.754 63.977 -0.223 19486 4654 1 16 . 1 1 25 25 THR CB C 25 69.467 69.467 68.569 0.898 19486 4655 1 16 . 1 1 25 25 THR H H 25 7.801 7.801 7.579 0.222 19486 4656 1 16 . 1 1 26 26 HIS N N 26 118.158 118.158 119.427 -1.269 19486 4657 1 16 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.812 0.079 19486 4658 1 16 . 1 1 26 26 HIS C C 26 171.847 171.847 174.688 -2.841 19486 4659 1 16 . 1 1 26 26 HIS CA C 26 55.083 55.083 55.607 -0.524 19486 4660 1 16 . 1 1 26 26 HIS CB C 26 28.686 28.686 29.924 -1.238 19486 4661 1 16 . 1 1 26 26 HIS H H 26 7.095 7.095 7.583 -0.488 19486 4662 1 16 . 1 1 27 27 ARG N N 27 120.083 120.083 121.511 -1.428 19486 4663 1 16 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.415 -0.015 19486 4664 1 16 . 1 1 27 27 ARG C C 27 175.194 175.194 176.108 -0.914 19486 4665 1 16 . 1 1 27 27 ARG CA C 27 56.387 56.387 55.043 1.344 19486 4666 1 16 . 1 1 27 27 ARG CB C 27 31.260 31.260 31.370 -0.110 19486 4667 1 16 . 1 1 27 27 ARG H H 27 7.630 7.630 7.952 -0.322 19486 4668 1 16 . 1 1 28 28 GLY N N 28 109.773 109.773 109.786 -0.013 19486 4669 1 16 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.246 0.386 19486 4670 1 16 . 1 1 28 28 GLY H H 28 8.217 8.217 7.943 0.274 19486 4671 1 16 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.267 0.120 19486 4672 1 16 . 1 1 29 29 PRO C C 29 176.069 176.069 175.939 0.130 19486 4673 1 16 . 1 1 29 29 PRO CA C 29 63.030 63.030 63.620 -0.590 19486 4674 1 16 . 1 1 29 29 PRO CB C 29 32.227 32.227 31.778 0.449 19486 4675 1 16 . 1 1 30 30 ALA N N 30 124.277 124.277 127.037 -2.760 19486 4676 1 16 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.398 -0.207 19486 4677 1 16 . 1 1 30 30 ALA C C 30 177.466 177.466 177.172 0.294 19486 4678 1 16 . 1 1 30 30 ALA CA C 30 52.423 52.423 51.397 1.026 19486 4679 1 16 . 1 1 30 30 ALA CB C 30 19.185 19.185 21.432 -2.247 19486 4680 1 16 . 1 1 30 30 ALA H H 30 8.312 8.312 8.032 0.280 19486 4681 1 16 . 1 1 31 31 LYS N N 31 120.503 120.503 120.567 -0.064 19486 4682 1 16 . 1 1 31 31 LYS HA H 31 4.153 4.153 3.862 0.291 19486 4683 1 16 . 1 1 31 31 LYS C C 31 173.444 173.444 175.754 -2.310 19486 4684 1 16 . 1 1 31 31 LYS CA C 31 55.970 55.970 58.241 -2.271 19486 4685 1 16 . 1 1 31 31 LYS CB C 31 33.189 33.189 31.152 2.037 19486 4686 1 16 . 1 1 31 31 LYS H H 31 8.160 8.160 8.825 -0.665 19486 4687 1 16 . 1 1 32 32 HIS N N 32 118.745 118.745 117.580 1.165 19486 4688 1 16 . 1 1 32 32 HIS HA H 32 4.642 4.642 3.996 0.646 19486 4689 1 16 . 1 1 32 32 HIS C C 32 171.199 171.199 174.599 -3.400 19486 4690 1 16 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.567 0.074 19486 4691 1 16 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.106 2.187 19486 4692 1 16 . 1 1 32 32 HIS H H 32 7.888 7.888 7.749 0.139 19486 4693 1 16 . 1 1 33 33 TYR N N 33 120.158 120.158 114.926 5.232 19486 4694 1 16 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.703 -0.159 19486 4695 1 16 . 1 1 33 33 TYR C C 33 172.174 172.174 174.095 -1.921 19486 4696 1 16 . 1 1 33 33 TYR CA C 33 57.776 57.776 55.230 2.546 19486 4697 1 16 . 1 1 33 33 TYR CB C 33 39.394 39.394 38.010 1.384 19486 4698 1 16 . 1 1 33 33 TYR H H 33 8.672 8.672 7.926 0.746 19486 4699 1 16 . 1 1 34 34 MET N N 34 123.629 123.629 122.022 1.607 19486 4700 1 16 . 1 1 34 34 MET HA H 34 5.113 5.113 4.911 0.202 19486 4701 1 16 . 1 1 34 34 MET C C 34 172.661 172.661 175.074 -2.413 19486 4702 1 16 . 1 1 34 34 MET CA C 34 54.285 54.285 54.100 0.185 19486 4703 1 16 . 1 1 34 34 MET CB C 34 35.606 35.606 35.149 0.457 19486 4704 1 16 . 1 1 34 34 MET H H 34 8.770 8.770 8.052 0.718 19486 4705 1 16 . 1 1 35 35 CYS N N 35 128.648 128.648 128.407 0.241 19486 4706 1 16 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.808 0.006 19486 4707 1 16 . 1 1 35 35 CYS CA C 35 57.229 57.229 56.608 0.621 19486 4708 1 16 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.407 3.006 19486 4709 1 16 . 1 1 35 35 CYS H H 35 9.412 9.412 9.033 0.379 19486 4710 1 16 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.200 0.327 19486 4711 1 16 . 1 1 36 36 PRO C C 36 175.359 175.359 176.947 -1.588 19486 4712 1 16 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.420 -1.290 19486 4713 1 16 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.799 0.528 19486 4714 1 16 . 1 1 37 37 ILE N N 37 121.680 121.680 116.639 5.041 19486 4715 1 16 . 1 1 37 37 ILE HA H 37 3.906 3.906 4.058 -0.152 19486 4716 1 16 . 1 1 37 37 ILE C C 37 176.316 176.316 177.280 -0.964 19486 4717 1 16 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.646 0.514 19486 4718 1 16 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.378 -0.045 19486 4719 1 16 . 1 1 37 37 ILE H H 37 8.802 8.802 8.585 0.217 19486 4720 1 16 . 1 1 38 38 CYS N N 38 115.962 115.962 115.775 0.187 19486 4721 1 16 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.973 0.164 19486 4722 1 16 . 1 1 38 38 CYS C C 38 175.994 175.994 176.308 -0.314 19486 4723 1 16 . 1 1 38 38 CYS CA C 38 58.260 58.260 58.107 0.153 19486 4724 1 16 . 1 1 38 38 CYS CB C 38 32.806 32.806 30.398 2.408 19486 4725 1 16 . 1 1 38 38 CYS H H 38 8.070 8.070 8.507 -0.437 19486 4726 1 16 . 1 1 39 39 GLY N N 39 113.286 113.286 111.602 1.684 19486 4727 1 16 . 1 1 39 39 GLY C C 39 169.495 169.495 174.604 -5.109 19486 4728 1 16 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.762 0.684 19486 4729 1 16 . 1 1 39 39 GLY H H 39 8.113 8.113 8.203 -0.090 19486 4730 1 16 . 1 1 40 40 GLU N N 40 122.500 122.500 120.054 2.446 19486 4731 1 16 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.214 -0.186 19486 4732 1 16 . 1 1 40 40 GLU C C 40 171.486 171.486 175.931 -4.445 19486 4733 1 16 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.894 0.825 19486 4734 1 16 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.104 0.330 19486 4735 1 16 . 1 1 40 40 GLU H H 40 8.119 8.119 7.757 0.362 19486 4736 1 16 . 1 1 41 41 ARG N N 41 120.904 120.904 125.011 -4.107 19486 4737 1 16 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.865 0.073 19486 4738 1 16 . 1 1 41 41 ARG C C 41 173.428 173.428 175.266 -1.838 19486 4739 1 16 . 1 1 41 41 ARG CA C 41 55.153 55.153 55.731 -0.578 19486 4740 1 16 . 1 1 41 41 ARG CB C 41 32.810 32.810 31.248 1.562 19486 4741 1 16 . 1 1 41 41 ARG H H 41 8.051 8.051 8.441 -0.390 19486 4742 1 16 . 1 1 42 42 PHE N N 42 119.481 119.481 126.028 -6.547 19486 4743 1 16 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.855 -0.167 19486 4744 1 16 . 1 1 42 42 PHE CA C 42 56.737 56.737 54.880 1.857 19486 4745 1 16 . 1 1 42 42 PHE CB C 42 41.976 41.976 40.568 1.408 19486 4746 1 16 . 1 1 42 42 PHE H H 42 8.856 8.856 8.356 0.500 19486 4747 1 16 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.069 0.720 19486 4748 1 16 . 1 1 43 43 PRO C C 43 174.319 174.319 176.043 -1.724 19486 4749 1 16 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.973 -0.307 19486 4750 1 16 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.121 0.682 19486 4751 1 16 . 1 1 44 44 SER N N 44 110.500 110.500 113.209 -2.709 19486 4752 1 16 . 1 1 44 44 SER HA H 44 4.601 4.601 4.559 0.042 19486 4753 1 16 . 1 1 44 44 SER C C 44 166.956 166.956 173.072 -6.116 19486 4754 1 16 . 1 1 44 44 SER CA C 44 55.700 55.700 56.842 -1.142 19486 4755 1 16 . 1 1 44 44 SER CB C 44 67.018 67.018 66.214 0.804 19486 4756 1 16 . 1 1 44 44 SER H H 44 7.246 7.246 7.433 -0.187 19486 4757 1 16 . 1 1 45 45 LEU N N 45 122.780 122.780 125.010 -2.230 19486 4758 1 16 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.688 -1.183 19486 4759 1 16 . 1 1 45 45 LEU C C 45 181.968 181.968 175.319 6.649 19486 4760 1 16 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.441 2.831 19486 4761 1 16 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.648 0.529 19486 4762 1 16 . 1 1 45 45 LEU H H 45 8.272 8.272 8.879 -0.607 19486 4763 1 16 . 1 1 46 46 LEU N N 46 121.552 121.552 120.845 0.707 19486 4764 1 16 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.742 -0.708 19486 4765 1 16 . 1 1 46 46 LEU C C 46 180.359 180.359 177.225 3.134 19486 4766 1 16 . 1 1 46 46 LEU CA C 46 58.636 58.636 57.712 0.924 19486 4767 1 16 . 1 1 46 46 LEU CB C 46 42.115 42.115 42.927 -0.812 19486 4768 1 16 . 1 1 46 46 LEU H H 46 8.289 8.289 7.695 0.594 19486 4769 1 16 . 1 1 47 47 THR N N 47 109.081 109.081 115.196 -6.115 19486 4770 1 16 . 1 1 47 47 THR HA H 47 3.980 3.980 4.022 -0.042 19486 4771 1 16 . 1 1 47 47 THR C C 47 179.649 179.649 176.515 3.134 19486 4772 1 16 . 1 1 47 47 THR CA C 47 65.057 65.057 65.928 -0.871 19486 4773 1 16 . 1 1 47 47 THR CB C 47 69.160 69.160 68.088 1.071 19486 4774 1 16 . 1 1 47 47 THR H H 47 7.456 7.456 8.146 -0.690 19486 4775 1 16 . 1 1 48 48 LEU N N 48 124.194 124.194 122.442 1.752 19486 4776 1 16 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.630 -0.360 19486 4777 1 16 . 1 1 48 48 LEU C C 48 178.335 178.335 178.254 0.081 19486 4778 1 16 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.477 -0.096 19486 4779 1 16 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.246 -0.379 19486 4780 1 16 . 1 1 48 48 LEU H H 48 7.582 7.582 7.500 0.082 19486 4781 1 16 . 1 1 49 49 THR N N 49 117.072 117.072 114.515 2.557 19486 4782 1 16 . 1 1 49 49 THR HA H 49 3.645 3.645 3.908 -0.263 19486 4783 1 16 . 1 1 49 49 THR C C 49 175.471 175.471 176.821 -1.350 19486 4784 1 16 . 1 1 49 49 THR CA C 49 67.720 67.720 66.634 1.086 19486 4785 1 16 . 1 1 49 49 THR CB C 49 68.791 68.791 68.152 0.639 19486 4786 1 16 . 1 1 49 49 THR H H 49 8.558 8.558 7.872 0.686 19486 4787 1 16 . 1 1 50 50 GLU N N 50 120.004 120.004 120.824 -0.820 19486 4788 1 16 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.957 -0.028 19486 4789 1 16 . 1 1 50 50 GLU C C 50 179.081 179.081 179.011 0.070 19486 4790 1 16 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.196 -0.066 19486 4791 1 16 . 1 1 50 50 GLU CB C 50 29.684 29.684 28.943 0.741 19486 4792 1 16 . 1 1 50 50 GLU H H 50 7.966 7.966 8.008 -0.042 19486 4793 1 16 . 1 1 51 51 HIS N N 51 117.288 117.288 118.839 -1.551 19486 4794 1 16 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.273 -0.024 19486 4795 1 16 . 1 1 51 51 HIS C C 51 178.240 178.240 176.344 1.896 19486 4796 1 16 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.404 0.082 19486 4797 1 16 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.651 -1.587 19486 4798 1 16 . 1 1 51 51 HIS H H 51 7.377 7.377 7.527 -0.150 19486 4799 1 16 . 1 1 52 52 LYS N N 52 120.729 120.729 117.630 3.099 19486 4800 1 16 . 1 1 52 52 LYS HA H 52 3.678 3.678 3.903 -0.225 19486 4801 1 16 . 1 1 52 52 LYS C C 52 178.361 178.361 179.267 -0.906 19486 4802 1 16 . 1 1 52 52 LYS CA C 52 60.653 60.653 58.580 2.073 19486 4803 1 16 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.520 -0.060 19486 4804 1 16 . 1 1 52 52 LYS H H 52 8.572 8.572 7.692 0.880 19486 4805 1 16 . 1 1 53 53 VAL N N 53 112.220 112.220 115.850 -3.630 19486 4806 1 16 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.006 0.093 19486 4807 1 16 . 1 1 53 53 VAL C C 53 175.078 175.078 177.152 -2.074 19486 4808 1 16 . 1 1 53 53 VAL CA C 53 63.440 63.440 65.105 -1.665 19486 4809 1 16 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.465 -0.079 19486 4810 1 16 . 1 1 53 53 VAL H H 53 6.940 6.940 7.807 -0.867 19486 4811 1 16 . 1 1 54 54 THR N N 54 110.466 110.466 111.135 -0.669 19486 4812 1 16 . 1 1 54 54 THR HA H 54 4.135 4.135 4.289 -0.154 19486 4813 1 16 . 1 1 54 54 THR C C 54 171.847 171.847 175.197 -3.350 19486 4814 1 16 . 1 1 54 54 THR CA C 54 63.056 63.056 61.763 1.293 19486 4815 1 16 . 1 1 54 54 THR CB C 54 69.595 69.595 68.566 1.029 19486 4816 1 16 . 1 1 54 54 THR H H 54 7.581 7.581 7.535 0.046 19486 4817 1 17 . 1 1 2 2 GLY N N 2 110.487 110.487 108.136 2.351 19486 4818 1 17 . 1 1 2 2 GLY C C 2 169.148 169.148 174.607 -5.459 19486 4819 1 17 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.358 0.721 19486 4820 1 17 . 1 1 2 2 GLY H H 2 8.216 8.216 8.490 -0.274 19486 4821 1 17 . 1 1 3 3 SER N N 3 114.424 114.424 115.370 -0.946 19486 4822 1 17 . 1 1 3 3 SER HA H 3 4.357 4.357 4.475 -0.118 19486 4823 1 17 . 1 1 3 3 SER C C 3 169.812 169.812 173.656 -3.844 19486 4824 1 17 . 1 1 3 3 SER CA C 3 58.382 58.382 58.408 -0.026 19486 4825 1 17 . 1 1 3 3 SER CB C 3 64.088 64.088 62.663 1.425 19486 4826 1 17 . 1 1 3 3 SER H H 3 7.996 7.996 8.376 -0.380 19486 4827 1 17 . 1 1 4 4 HIS N N 4 122.476 122.476 122.529 -0.053 19486 4828 1 17 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.847 -0.239 19486 4829 1 17 . 1 1 4 4 HIS C C 4 170.682 170.682 173.887 -3.205 19486 4830 1 17 . 1 1 4 4 HIS CA C 4 55.362 55.362 55.182 0.180 19486 4831 1 17 . 1 1 4 4 HIS CB C 4 30.816 30.816 30.110 0.706 19486 4832 1 17 . 1 1 4 4 HIS H H 4 8.315 8.315 7.974 0.341 19486 4833 1 17 . 1 1 5 5 LYS N N 5 125.975 125.975 124.943 1.032 19486 4834 1 17 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.431 0.324 19486 4835 1 17 . 1 1 5 5 LYS C C 5 172.684 172.684 175.236 -2.552 19486 4836 1 17 . 1 1 5 5 LYS CA C 5 55.663 55.663 55.187 0.476 19486 4837 1 17 . 1 1 5 5 LYS CB C 5 35.248 35.248 35.713 -0.465 19486 4838 1 17 . 1 1 5 5 LYS H H 5 8.655 8.655 8.171 0.484 19486 4839 1 17 . 1 1 6 6 CYS N N 6 127.588 127.588 128.085 -0.497 19486 4840 1 17 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.701 -0.245 19486 4841 1 17 . 1 1 6 6 CYS C C 6 175.723 175.723 175.625 0.098 19486 4842 1 17 . 1 1 6 6 CYS CA C 6 60.218 60.218 57.608 2.610 19486 4843 1 17 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.827 2.886 19486 4844 1 17 . 1 1 6 6 CYS H H 6 9.046 9.046 8.847 0.199 19486 4845 1 17 . 1 1 7 7 ASN N N 7 128.450 128.450 126.867 1.583 19486 4846 1 17 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.364 0.244 19486 4847 1 17 . 1 1 7 7 ASN C C 7 172.781 172.781 176.168 -3.387 19486 4848 1 17 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.447 -1.429 19486 4849 1 17 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.343 -0.202 19486 4850 1 17 . 1 1 7 7 ASN H H 7 9.075 9.075 8.973 0.102 19486 4851 1 17 . 1 1 8 8 VAL N N 8 123.473 123.473 118.148 5.325 19486 4852 1 17 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.704 0.101 19486 4853 1 17 . 1 1 8 8 VAL C C 8 176.694 176.694 177.552 -0.858 19486 4854 1 17 . 1 1 8 8 VAL CA C 8 65.026 65.026 65.190 -0.164 19486 4855 1 17 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.392 1.570 19486 4856 1 17 . 1 1 8 8 VAL H H 8 9.223 9.223 8.119 1.104 19486 4857 1 17 . 1 1 9 9 CYS N N 9 118.379 118.379 116.471 1.908 19486 4858 1 17 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.457 0.702 19486 4859 1 17 . 1 1 9 9 CYS C C 9 173.754 173.754 174.963 -1.209 19486 4860 1 17 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.888 -1.436 19486 4861 1 17 . 1 1 9 9 CYS CB C 9 32.344 32.344 27.174 5.170 19486 4862 1 17 . 1 1 9 9 CYS H H 9 8.457 8.457 7.793 0.664 19486 4863 1 17 . 1 1 10 10 SER N N 10 114.054 114.054 109.967 4.087 19486 4864 1 17 . 1 1 10 10 SER HA H 10 4.260 4.260 4.067 0.193 19486 4865 1 17 . 1 1 10 10 SER C C 10 169.209 169.209 173.842 -4.633 19486 4866 1 17 . 1 1 10 10 SER CA C 10 61.286 61.286 59.947 1.339 19486 4867 1 17 . 1 1 10 10 SER CB C 10 62.173 62.173 62.074 0.099 19486 4868 1 17 . 1 1 10 10 SER H H 10 7.910 7.910 8.310 -0.400 19486 4869 1 17 . 1 1 11 11 ARG N N 11 122.514 122.514 119.307 3.207 19486 4870 1 17 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.803 -0.725 19486 4871 1 17 . 1 1 11 11 ARG C C 11 172.193 172.193 174.961 -2.768 19486 4872 1 17 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.410 3.479 19486 4873 1 17 . 1 1 11 11 ARG CB C 11 31.569 31.569 32.433 -0.864 19486 4874 1 17 . 1 1 11 11 ARG H H 11 8.047 8.047 7.717 0.330 19486 4875 1 17 . 1 1 12 12 THR N N 12 111.399 111.399 111.862 -0.463 19486 4876 1 17 . 1 1 12 12 THR HA H 12 4.896 4.896 4.375 0.521 19486 4877 1 17 . 1 1 12 12 THR C C 12 168.910 168.910 172.443 -3.533 19486 4878 1 17 . 1 1 12 12 THR CA C 12 60.396 60.396 60.717 -0.321 19486 4879 1 17 . 1 1 12 12 THR CB C 12 71.239 71.239 69.683 1.556 19486 4880 1 17 . 1 1 12 12 THR H H 12 7.716 7.716 7.995 -0.279 19486 4881 1 17 . 1 1 13 13 PHE N N 13 118.814 118.814 122.238 -3.424 19486 4882 1 17 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.762 -0.322 19486 4883 1 17 . 1 1 13 13 PHE C C 13 173.256 173.256 175.089 -1.833 19486 4884 1 17 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.420 1.159 19486 4885 1 17 . 1 1 13 13 PHE CB C 13 43.109 43.109 41.163 1.946 19486 4886 1 17 . 1 1 13 13 PHE H H 13 8.527 8.527 8.508 0.019 19486 4887 1 17 . 1 1 14 14 PHE N N 14 119.476 119.476 122.488 -3.012 19486 4888 1 17 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.443 0.357 19486 4889 1 17 . 1 1 14 14 PHE C C 14 173.255 173.255 174.517 -1.262 19486 4890 1 17 . 1 1 14 14 PHE CA C 14 59.206 59.206 58.509 0.697 19486 4891 1 17 . 1 1 14 14 PHE CB C 14 39.436 39.436 38.777 0.659 19486 4892 1 17 . 1 1 14 14 PHE H H 14 8.975 8.975 8.060 0.915 19486 4893 1 17 . 1 1 15 15 SER N N 15 111.316 111.316 113.568 -2.252 19486 4894 1 17 . 1 1 15 15 SER HA H 15 4.573 4.573 4.560 0.013 19486 4895 1 17 . 1 1 15 15 SER C C 15 169.172 169.172 174.239 -5.067 19486 4896 1 17 . 1 1 15 15 SER CA C 15 55.948 55.948 56.768 -0.820 19486 4897 1 17 . 1 1 15 15 SER CB C 15 67.029 67.029 66.489 0.540 19486 4898 1 17 . 1 1 15 15 SER H H 15 7.813 7.813 7.300 0.513 19486 4899 1 17 . 1 1 16 16 GLU N N 16 123.055 123.055 123.420 -0.365 19486 4900 1 17 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.105 -0.685 19486 4901 1 17 . 1 1 16 16 GLU C C 16 179.932 179.932 178.466 1.466 19486 4902 1 17 . 1 1 16 16 GLU CA C 16 59.294 59.294 60.130 -0.837 19486 4903 1 17 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.813 -0.775 19486 4904 1 17 . 1 1 16 16 GLU H H 16 8.755 8.755 8.859 -0.104 19486 4905 1 17 . 1 1 17 17 ASN N N 17 117.537 117.537 116.731 0.806 19486 4906 1 17 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.612 -0.327 19486 4907 1 17 . 1 1 17 17 ASN C C 17 177.403 177.403 177.511 -0.108 19486 4908 1 17 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.619 0.825 19486 4909 1 17 . 1 1 17 17 ASN CB C 17 37.954 37.954 38.212 -0.258 19486 4910 1 17 . 1 1 17 17 ASN H H 17 8.548 8.548 8.515 0.033 19486 4911 1 17 . 1 1 18 18 GLY N N 18 108.587 108.587 108.070 0.517 19486 4912 1 17 . 1 1 18 18 GLY C C 18 175.491 175.491 175.709 -0.218 19486 4913 1 17 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.090 0.599 19486 4914 1 17 . 1 1 18 18 GLY H H 18 8.038 8.038 8.254 -0.216 19486 4915 1 17 . 1 1 19 19 LEU N N 19 123.120 123.120 123.323 -0.203 19486 4916 1 17 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.187 -0.970 19486 4917 1 17 . 1 1 19 19 LEU C C 19 176.975 176.975 178.546 -1.571 19486 4918 1 17 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.586 0.188 19486 4919 1 17 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.769 -0.874 19486 4920 1 17 . 1 1 19 19 LEU H H 19 7.240 7.240 7.853 -0.613 19486 4921 1 17 . 1 1 20 20 ARG N N 20 119.506 119.506 117.993 1.513 19486 4922 1 17 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.999 -0.215 19486 4923 1 17 . 1 1 20 20 ARG C C 20 181.705 181.705 179.018 2.687 19486 4924 1 17 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.658 1.725 19486 4925 1 17 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.310 0.617 19486 4926 1 17 . 1 1 20 20 ARG H H 20 8.426 8.426 8.102 0.324 19486 4927 1 17 . 1 1 21 21 GLU N N 21 117.954 117.954 118.255 -0.301 19486 4928 1 17 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.159 -0.219 19486 4929 1 17 . 1 1 21 21 GLU C C 21 180.973 180.973 179.368 1.605 19486 4930 1 17 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.700 0.455 19486 4931 1 17 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.487 0.135 19486 4932 1 17 . 1 1 21 21 GLU H H 21 7.961 7.961 7.714 0.247 19486 4933 1 17 . 1 1 22 22 HIS N N 22 119.084 119.084 120.518 -1.434 19486 4934 1 17 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.329 -0.093 19486 4935 1 17 . 1 1 22 22 HIS C C 22 179.182 179.182 177.228 1.954 19486 4936 1 17 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.945 -0.085 19486 4937 1 17 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.962 -1.703 19486 4938 1 17 . 1 1 22 22 HIS H H 22 7.434 7.434 7.962 -0.528 19486 4939 1 17 . 1 1 23 23 LEU N N 23 122.153 122.153 119.166 2.987 19486 4940 1 17 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.148 -0.383 19486 4941 1 17 . 1 1 23 23 LEU C C 23 181.265 181.265 178.871 2.394 19486 4942 1 17 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.595 0.992 19486 4943 1 17 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.845 -0.005 19486 4944 1 17 . 1 1 23 23 LEU H H 23 8.835 8.835 8.287 0.548 19486 4945 1 17 . 1 1 24 24 GLN N N 24 115.740 115.740 116.693 -0.953 19486 4946 1 17 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.073 -0.065 19486 4947 1 17 . 1 1 24 24 GLN C C 24 178.454 178.454 177.597 0.857 19486 4948 1 17 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.035 -0.065 19486 4949 1 17 . 1 1 24 24 GLN CB C 24 28.431 28.431 27.963 0.468 19486 4950 1 17 . 1 1 24 24 GLN H H 24 7.142 7.142 7.715 -0.573 19486 4951 1 17 . 1 1 25 25 THR N N 25 109.376 109.376 109.186 0.190 19486 4952 1 17 . 1 1 25 25 THR HA H 25 4.129 4.129 3.973 0.156 19486 4953 1 17 . 1 1 25 25 THR C C 25 173.471 173.471 175.101 -1.630 19486 4954 1 17 . 1 1 25 25 THR CA C 25 63.754 63.754 65.083 -1.329 19486 4955 1 17 . 1 1 25 25 THR CB C 25 69.467 69.467 68.782 0.685 19486 4956 1 17 . 1 1 25 25 THR H H 25 7.801 7.801 7.493 0.308 19486 4957 1 17 . 1 1 26 26 HIS N N 26 118.158 118.158 118.998 -0.840 19486 4958 1 17 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.608 0.283 19486 4959 1 17 . 1 1 26 26 HIS C C 26 171.847 171.847 176.335 -4.488 19486 4960 1 17 . 1 1 26 26 HIS CA C 26 55.083 55.083 57.020 -1.937 19486 4961 1 17 . 1 1 26 26 HIS CB C 26 28.686 28.686 29.999 -1.313 19486 4962 1 17 . 1 1 26 26 HIS H H 26 7.095 7.095 7.485 -0.390 19486 4963 1 17 . 1 1 27 27 ARG N N 27 120.083 120.083 118.592 1.491 19486 4964 1 17 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.377 0.023 19486 4965 1 17 . 1 1 27 27 ARG C C 27 175.194 175.194 176.283 -1.089 19486 4966 1 17 . 1 1 27 27 ARG CA C 27 56.387 56.387 55.783 0.604 19486 4967 1 17 . 1 1 27 27 ARG CB C 27 31.260 31.260 29.924 1.335 19486 4968 1 17 . 1 1 27 27 ARG H H 27 7.630 7.630 7.655 -0.025 19486 4969 1 17 . 1 1 28 28 GLY N N 28 109.773 109.773 108.581 1.192 19486 4970 1 17 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.160 0.472 19486 4971 1 17 . 1 1 28 28 GLY H H 28 8.217 8.217 7.210 1.007 19486 4972 1 17 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.322 0.065 19486 4973 1 17 . 1 1 29 29 PRO C C 29 176.069 176.069 175.855 0.214 19486 4974 1 17 . 1 1 29 29 PRO CA C 29 63.030 63.030 63.280 -0.250 19486 4975 1 17 . 1 1 29 29 PRO CB C 29 32.227 32.227 31.913 0.314 19486 4976 1 17 . 1 1 30 30 ALA N N 30 124.277 124.277 125.793 -1.516 19486 4977 1 17 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.520 -0.329 19486 4978 1 17 . 1 1 30 30 ALA C C 30 177.466 177.466 176.482 0.984 19486 4979 1 17 . 1 1 30 30 ALA CA C 30 52.423 52.423 52.339 0.084 19486 4980 1 17 . 1 1 30 30 ALA CB C 30 19.185 19.185 19.156 0.029 19486 4981 1 17 . 1 1 30 30 ALA H H 30 8.312 8.312 8.296 0.016 19486 4982 1 17 . 1 1 31 31 LYS N N 31 120.503 120.503 124.684 -4.181 19486 4983 1 17 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.348 -0.196 19486 4984 1 17 . 1 1 31 31 LYS C C 31 173.444 173.444 175.038 -1.594 19486 4985 1 17 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.259 -0.289 19486 4986 1 17 . 1 1 31 31 LYS CB C 31 33.189 33.189 33.183 0.006 19486 4987 1 17 . 1 1 31 31 LYS H H 31 8.160 8.160 8.205 -0.045 19486 4988 1 17 . 1 1 32 32 HIS N N 32 118.745 118.745 119.146 -0.401 19486 4989 1 17 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.235 0.407 19486 4990 1 17 . 1 1 32 32 HIS C C 32 171.199 171.199 174.388 -3.189 19486 4991 1 17 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.247 0.394 19486 4992 1 17 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.355 1.938 19486 4993 1 17 . 1 1 32 32 HIS H H 32 7.888 7.888 8.011 -0.123 19486 4994 1 17 . 1 1 33 33 TYR N N 33 120.158 120.158 118.633 1.525 19486 4995 1 17 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.819 -0.275 19486 4996 1 17 . 1 1 33 33 TYR C C 33 172.174 172.174 173.552 -1.378 19486 4997 1 17 . 1 1 33 33 TYR CA C 33 57.776 57.776 55.946 1.830 19486 4998 1 17 . 1 1 33 33 TYR CB C 33 39.394 39.394 37.929 1.465 19486 4999 1 17 . 1 1 33 33 TYR H H 33 8.672 8.672 7.879 0.793 19486 5000 1 17 . 1 1 34 34 MET N N 34 123.629 123.629 123.287 0.342 19486 5001 1 17 . 1 1 34 34 MET HA H 34 5.113 5.113 5.001 0.112 19486 5002 1 17 . 1 1 34 34 MET C C 34 172.661 172.661 174.953 -2.292 19486 5003 1 17 . 1 1 34 34 MET CA C 34 54.285 54.285 54.134 0.151 19486 5004 1 17 . 1 1 34 34 MET CB C 34 35.606 35.606 35.666 -0.060 19486 5005 1 17 . 1 1 34 34 MET H H 34 8.770 8.770 8.312 0.458 19486 5006 1 17 . 1 1 35 35 CYS N N 35 128.648 128.648 128.395 0.253 19486 5007 1 17 . 1 1 35 35 CYS HA H 35 4.814 4.814 5.000 -0.186 19486 5008 1 17 . 1 1 35 35 CYS CA C 35 57.229 57.229 56.730 0.499 19486 5009 1 17 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.814 2.599 19486 5010 1 17 . 1 1 35 35 CYS H H 35 9.412 9.412 8.901 0.511 19486 5011 1 17 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.230 0.297 19486 5012 1 17 . 1 1 36 36 PRO C C 36 175.359 175.359 177.138 -1.779 19486 5013 1 17 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.269 -1.139 19486 5014 1 17 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.950 0.377 19486 5015 1 17 . 1 1 37 37 ILE N N 37 121.680 121.680 117.084 4.596 19486 5016 1 17 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.845 0.061 19486 5017 1 17 . 1 1 37 37 ILE C C 37 176.316 176.316 177.297 -0.981 19486 5018 1 17 . 1 1 37 37 ILE CA C 37 63.160 63.160 63.129 0.031 19486 5019 1 17 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.144 0.189 19486 5020 1 17 . 1 1 37 37 ILE H H 37 8.802 8.802 8.010 0.792 19486 5021 1 17 . 1 1 38 38 CYS N N 38 115.962 115.962 114.363 1.599 19486 5022 1 17 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.797 0.340 19486 5023 1 17 . 1 1 38 38 CYS C C 38 175.994 175.994 175.581 0.413 19486 5024 1 17 . 1 1 38 38 CYS CA C 38 58.260 58.260 57.449 0.811 19486 5025 1 17 . 1 1 38 38 CYS CB C 38 32.806 32.806 29.979 2.827 19486 5026 1 17 . 1 1 38 38 CYS H H 38 8.070 8.070 7.994 0.076 19486 5027 1 17 . 1 1 39 39 GLY N N 39 113.286 113.286 108.469 4.817 19486 5028 1 17 . 1 1 39 39 GLY C C 39 169.495 169.495 174.343 -4.848 19486 5029 1 17 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.226 1.220 19486 5030 1 17 . 1 1 39 39 GLY H H 39 8.113 8.113 8.543 -0.430 19486 5031 1 17 . 1 1 40 40 GLU N N 40 122.500 122.500 118.497 4.003 19486 5032 1 17 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.296 -0.268 19486 5033 1 17 . 1 1 40 40 GLU C C 40 171.486 171.486 175.371 -3.885 19486 5034 1 17 . 1 1 40 40 GLU CA C 40 57.719 57.719 55.228 2.491 19486 5035 1 17 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.439 -0.006 19486 5036 1 17 . 1 1 40 40 GLU H H 40 8.119 8.119 8.332 -0.213 19486 5037 1 17 . 1 1 41 41 ARG N N 41 120.904 120.904 118.841 2.063 19486 5038 1 17 . 1 1 41 41 ARG HA H 41 4.938 4.938 5.061 -0.123 19486 5039 1 17 . 1 1 41 41 ARG C C 41 173.428 173.428 175.247 -1.819 19486 5040 1 17 . 1 1 41 41 ARG CA C 41 55.153 55.153 54.699 0.454 19486 5041 1 17 . 1 1 41 41 ARG CB C 41 32.810 32.810 32.126 0.684 19486 5042 1 17 . 1 1 41 41 ARG H H 41 8.051 8.051 8.393 -0.342 19486 5043 1 17 . 1 1 42 42 PHE N N 42 119.481 119.481 121.349 -1.868 19486 5044 1 17 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.808 -0.120 19486 5045 1 17 . 1 1 42 42 PHE CA C 42 56.737 56.737 54.612 2.125 19486 5046 1 17 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.221 0.755 19486 5047 1 17 . 1 1 42 42 PHE H H 42 8.856 8.856 8.024 0.832 19486 5048 1 17 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.045 0.744 19486 5049 1 17 . 1 1 43 43 PRO C C 43 174.319 174.319 176.500 -2.181 19486 5050 1 17 . 1 1 43 43 PRO CA C 43 63.666 63.666 64.357 -0.691 19486 5051 1 17 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.097 0.706 19486 5052 1 17 . 1 1 44 44 SER N N 44 110.500 110.500 110.785 -0.285 19486 5053 1 17 . 1 1 44 44 SER HA H 44 4.601 4.601 4.529 0.072 19486 5054 1 17 . 1 1 44 44 SER C C 44 166.956 166.956 172.659 -5.703 19486 5055 1 17 . 1 1 44 44 SER CA C 44 55.700 55.700 57.076 -1.376 19486 5056 1 17 . 1 1 44 44 SER CB C 44 67.018 67.018 65.520 1.498 19486 5057 1 17 . 1 1 44 44 SER H H 44 7.246 7.246 7.308 -0.062 19486 5058 1 17 . 1 1 45 45 LEU N N 45 122.780 122.780 123.721 -0.941 19486 5059 1 17 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.699 -1.194 19486 5060 1 17 . 1 1 45 45 LEU C C 45 181.968 181.968 175.013 6.955 19486 5061 1 17 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.621 2.651 19486 5062 1 17 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.033 0.144 19486 5063 1 17 . 1 1 45 45 LEU H H 45 8.272 8.272 8.791 -0.519 19486 5064 1 17 . 1 1 46 46 LEU N N 46 121.552 121.552 118.790 2.762 19486 5065 1 17 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.734 -0.700 19486 5066 1 17 . 1 1 46 46 LEU C C 46 180.359 180.359 178.092 2.267 19486 5067 1 17 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.908 1.728 19486 5068 1 17 . 1 1 46 46 LEU CB C 46 42.115 42.115 41.354 0.761 19486 5069 1 17 . 1 1 46 46 LEU H H 46 8.289 8.289 7.552 0.737 19486 5070 1 17 . 1 1 47 47 THR N N 47 109.081 109.081 114.774 -5.693 19486 5071 1 17 . 1 1 47 47 THR HA H 47 3.980 3.980 3.941 0.039 19486 5072 1 17 . 1 1 47 47 THR C C 47 179.649 179.649 176.358 3.291 19486 5073 1 17 . 1 1 47 47 THR CA C 47 65.057 65.057 65.685 -0.628 19486 5074 1 17 . 1 1 47 47 THR CB C 47 69.160 69.160 68.228 0.933 19486 5075 1 17 . 1 1 47 47 THR H H 47 7.456 7.456 8.032 -0.576 19486 5076 1 17 . 1 1 48 48 LEU N N 48 124.194 124.194 122.002 2.192 19486 5077 1 17 . 1 1 48 48 LEU HA H 48 3.269 3.269 4.011 -0.742 19486 5078 1 17 . 1 1 48 48 LEU C C 48 178.335 178.335 177.947 0.388 19486 5079 1 17 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.320 0.061 19486 5080 1 17 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.478 -0.611 19486 5081 1 17 . 1 1 48 48 LEU H H 48 7.582 7.582 7.413 0.169 19486 5082 1 17 . 1 1 49 49 THR N N 49 117.072 117.072 114.265 2.807 19486 5083 1 17 . 1 1 49 49 THR HA H 49 3.645 3.645 4.002 -0.357 19486 5084 1 17 . 1 1 49 49 THR C C 49 175.471 175.471 176.425 -0.954 19486 5085 1 17 . 1 1 49 49 THR CA C 49 67.720 67.720 67.107 0.613 19486 5086 1 17 . 1 1 49 49 THR CB C 49 68.791 68.791 68.353 0.438 19486 5087 1 17 . 1 1 49 49 THR H H 49 8.558 8.558 7.898 0.660 19486 5088 1 17 . 1 1 50 50 GLU N N 50 120.004 120.004 120.459 -0.455 19486 5089 1 17 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.940 -0.011 19486 5090 1 17 . 1 1 50 50 GLU C C 50 179.081 179.081 178.788 0.293 19486 5091 1 17 . 1 1 50 50 GLU CA C 50 59.130 59.130 58.769 0.361 19486 5092 1 17 . 1 1 50 50 GLU CB C 50 29.684 29.684 28.971 0.713 19486 5093 1 17 . 1 1 50 50 GLU H H 50 7.966 7.966 7.854 0.112 19486 5094 1 17 . 1 1 51 51 HIS N N 51 117.288 117.288 118.855 -1.567 19486 5095 1 17 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.299 -0.050 19486 5096 1 17 . 1 1 51 51 HIS C C 51 178.240 178.240 177.082 1.158 19486 5097 1 17 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.151 0.335 19486 5098 1 17 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.904 -1.840 19486 5099 1 17 . 1 1 51 51 HIS H H 51 7.377 7.377 7.399 -0.022 19486 5100 1 17 . 1 1 52 52 LYS N N 52 120.729 120.729 118.781 1.948 19486 5101 1 17 . 1 1 52 52 LYS HA H 52 3.678 3.678 3.890 -0.212 19486 5102 1 17 . 1 1 52 52 LYS C C 52 178.361 178.361 178.310 0.051 19486 5103 1 17 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.362 1.290 19486 5104 1 17 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.333 0.127 19486 5105 1 17 . 1 1 52 52 LYS H H 52 8.572 8.572 7.516 1.056 19486 5106 1 17 . 1 1 53 53 VAL N N 53 112.220 112.220 114.103 -1.883 19486 5107 1 17 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.048 0.051 19486 5108 1 17 . 1 1 53 53 VAL C C 53 175.078 175.078 177.195 -2.117 19486 5109 1 17 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.906 -1.466 19486 5110 1 17 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.576 -0.189 19486 5111 1 17 . 1 1 53 53 VAL H H 53 6.940 6.940 7.457 -0.517 19486 5112 1 17 . 1 1 54 54 THR N N 54 110.466 110.466 112.302 -1.836 19486 5113 1 17 . 1 1 54 54 THR HA H 54 4.135 4.135 4.229 -0.094 19486 5114 1 17 . 1 1 54 54 THR C C 54 171.847 171.847 174.901 -3.054 19486 5115 1 17 . 1 1 54 54 THR CA C 54 63.056 63.056 62.098 0.958 19486 5116 1 17 . 1 1 54 54 THR CB C 54 69.595 69.595 68.235 1.360 19486 5117 1 17 . 1 1 54 54 THR H H 54 7.581 7.581 7.477 0.104 19486 5118 1 18 . 1 1 2 2 GLY N N 2 110.487 110.487 112.573 -2.086 19486 5119 1 18 . 1 1 2 2 GLY C C 2 169.148 169.148 174.240 -5.092 19486 5120 1 18 . 1 1 2 2 GLY CA C 2 45.079 45.079 45.209 -0.130 19486 5121 1 18 . 1 1 2 2 GLY H H 2 8.216 8.216 8.441 -0.225 19486 5122 1 18 . 1 1 3 3 SER N N 3 114.424 114.424 120.423 -5.999 19486 5123 1 18 . 1 1 3 3 SER HA H 3 4.357 4.357 4.603 -0.246 19486 5124 1 18 . 1 1 3 3 SER C C 3 169.812 169.812 174.340 -4.528 19486 5125 1 18 . 1 1 3 3 SER CA C 3 58.382 58.382 57.422 0.960 19486 5126 1 18 . 1 1 3 3 SER CB C 3 64.088 64.088 63.349 0.738 19486 5127 1 18 . 1 1 3 3 SER H H 3 7.996 7.996 8.012 -0.016 19486 5128 1 18 . 1 1 4 4 HIS N N 4 122.476 122.476 127.232 -4.756 19486 5129 1 18 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.661 -0.053 19486 5130 1 18 . 1 1 4 4 HIS C C 4 170.682 170.682 173.728 -3.046 19486 5131 1 18 . 1 1 4 4 HIS CA C 4 55.362 55.362 55.297 0.065 19486 5132 1 18 . 1 1 4 4 HIS CB C 4 30.816 30.816 28.428 2.388 19486 5133 1 18 . 1 1 4 4 HIS H H 4 8.315 8.315 8.908 -0.593 19486 5134 1 18 . 1 1 5 5 LYS N N 5 125.975 125.975 122.892 3.083 19486 5135 1 18 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.603 0.152 19486 5136 1 18 . 1 1 5 5 LYS C C 5 172.684 172.684 175.575 -2.891 19486 5137 1 18 . 1 1 5 5 LYS CA C 5 55.663 55.663 55.291 0.372 19486 5138 1 18 . 1 1 5 5 LYS CB C 5 35.248 35.248 33.904 1.345 19486 5139 1 18 . 1 1 5 5 LYS H H 5 8.655 8.655 7.809 0.846 19486 5140 1 18 . 1 1 6 6 CYS N N 6 127.588 127.588 129.365 -1.777 19486 5141 1 18 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.782 -0.326 19486 5142 1 18 . 1 1 6 6 CYS C C 6 175.723 175.723 175.866 -0.143 19486 5143 1 18 . 1 1 6 6 CYS CA C 6 60.218 60.218 57.224 2.994 19486 5144 1 18 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.216 3.497 19486 5145 1 18 . 1 1 6 6 CYS H H 6 9.046 9.046 8.784 0.262 19486 5146 1 18 . 1 1 7 7 ASN N N 7 128.450 128.450 126.962 1.488 19486 5147 1 18 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.404 0.204 19486 5148 1 18 . 1 1 7 7 ASN C C 7 172.781 172.781 177.229 -4.448 19486 5149 1 18 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.171 -1.153 19486 5150 1 18 . 1 1 7 7 ASN CB C 7 38.141 38.141 37.421 0.720 19486 5151 1 18 . 1 1 7 7 ASN H H 7 9.075 9.075 8.634 0.441 19486 5152 1 18 . 1 1 8 8 VAL N N 8 123.473 123.473 119.944 3.529 19486 5153 1 18 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.660 0.145 19486 5154 1 18 . 1 1 8 8 VAL C C 8 176.694 176.694 177.429 -0.735 19486 5155 1 18 . 1 1 8 8 VAL CA C 8 65.026 65.026 65.140 -0.114 19486 5156 1 18 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.519 1.443 19486 5157 1 18 . 1 1 8 8 VAL H H 8 9.223 9.223 8.261 0.962 19486 5158 1 18 . 1 1 9 9 CYS N N 9 118.379 118.379 112.916 5.463 19486 5159 1 18 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.736 0.423 19486 5160 1 18 . 1 1 9 9 CYS C C 9 173.754 173.754 175.494 -1.740 19486 5161 1 18 . 1 1 9 9 CYS CA C 9 58.452 58.452 58.365 0.087 19486 5162 1 18 . 1 1 9 9 CYS CB C 9 32.344 32.344 29.545 2.799 19486 5163 1 18 . 1 1 9 9 CYS H H 9 8.457 8.457 8.613 -0.156 19486 5164 1 18 . 1 1 10 10 SER N N 10 114.054 114.054 112.246 1.808 19486 5165 1 18 . 1 1 10 10 SER HA H 10 4.260 4.260 4.277 -0.017 19486 5166 1 18 . 1 1 10 10 SER C C 10 169.209 169.209 173.560 -4.351 19486 5167 1 18 . 1 1 10 10 SER CA C 10 61.286 61.286 59.778 1.508 19486 5168 1 18 . 1 1 10 10 SER CB C 10 62.173 62.173 61.575 0.598 19486 5169 1 18 . 1 1 10 10 SER H H 10 7.910 7.910 8.622 -0.712 19486 5170 1 18 . 1 1 11 11 ARG N N 11 122.514 122.514 119.728 2.786 19486 5171 1 18 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.712 -0.634 19486 5172 1 18 . 1 1 11 11 ARG C C 11 172.193 172.193 175.146 -2.953 19486 5173 1 18 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.517 3.372 19486 5174 1 18 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.804 -0.235 19486 5175 1 18 . 1 1 11 11 ARG H H 11 8.047 8.047 7.639 0.408 19486 5176 1 18 . 1 1 12 12 THR N N 12 111.399 111.399 112.894 -1.495 19486 5177 1 18 . 1 1 12 12 THR HA H 12 4.896 4.896 4.448 0.448 19486 5178 1 18 . 1 1 12 12 THR C C 12 168.910 168.910 173.600 -4.690 19486 5179 1 18 . 1 1 12 12 THR CA C 12 60.396 60.396 59.728 0.668 19486 5180 1 18 . 1 1 12 12 THR CB C 12 71.239 71.239 69.921 1.318 19486 5181 1 18 . 1 1 12 12 THR H H 12 7.716 7.716 7.957 -0.241 19486 5182 1 18 . 1 1 13 13 PHE N N 13 118.814 118.814 122.285 -3.471 19486 5183 1 18 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.226 0.214 19486 5184 1 18 . 1 1 13 13 PHE C C 13 173.256 173.256 174.538 -1.282 19486 5185 1 18 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.964 0.615 19486 5186 1 18 . 1 1 13 13 PHE CB C 13 43.109 43.109 38.663 4.446 19486 5187 1 18 . 1 1 13 13 PHE H H 13 8.527 8.527 8.647 -0.120 19486 5188 1 18 . 1 1 14 14 PHE N N 14 119.476 119.476 117.649 1.827 19486 5189 1 18 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.748 0.052 19486 5190 1 18 . 1 1 14 14 PHE C C 14 173.255 173.255 176.031 -2.776 19486 5191 1 18 . 1 1 14 14 PHE CA C 14 59.206 59.206 58.979 0.227 19486 5192 1 18 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.337 0.099 19486 5193 1 18 . 1 1 14 14 PHE H H 14 8.975 8.975 8.448 0.527 19486 5194 1 18 . 1 1 15 15 SER N N 15 111.316 111.316 116.163 -4.847 19486 5195 1 18 . 1 1 15 15 SER HA H 15 4.573 4.573 4.948 -0.375 19486 5196 1 18 . 1 1 15 15 SER C C 15 169.172 169.172 175.604 -6.432 19486 5197 1 18 . 1 1 15 15 SER CA C 15 55.948 55.948 57.510 -1.562 19486 5198 1 18 . 1 1 15 15 SER CB C 15 67.029 67.029 65.393 1.636 19486 5199 1 18 . 1 1 15 15 SER H H 15 7.813 7.813 8.137 -0.324 19486 5200 1 18 . 1 1 16 16 GLU N N 16 123.055 123.055 122.263 0.792 19486 5201 1 18 . 1 1 16 16 GLU HA H 16 3.420 3.420 3.381 0.039 19486 5202 1 18 . 1 1 16 16 GLU C C 16 179.932 179.932 177.685 2.247 19486 5203 1 18 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.203 0.090 19486 5204 1 18 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.140 -0.102 19486 5205 1 18 . 1 1 16 16 GLU H H 16 8.755 8.755 8.967 -0.212 19486 5206 1 18 . 1 1 17 17 ASN N N 17 117.537 117.537 116.966 0.571 19486 5207 1 18 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.551 -0.266 19486 5208 1 18 . 1 1 17 17 ASN C C 17 177.403 177.403 177.294 0.109 19486 5209 1 18 . 1 1 17 17 ASN CA C 17 56.444 56.444 54.355 2.089 19486 5210 1 18 . 1 1 17 17 ASN CB C 17 37.954 37.954 38.084 -0.130 19486 5211 1 18 . 1 1 17 17 ASN H H 17 8.548 8.548 8.485 0.063 19486 5212 1 18 . 1 1 18 18 GLY N N 18 108.587 108.587 108.894 -0.307 19486 5213 1 18 . 1 1 18 18 GLY C C 18 175.491 175.491 176.056 -0.565 19486 5214 1 18 . 1 1 18 18 GLY CA C 18 46.689 46.689 47.149 -0.460 19486 5215 1 18 . 1 1 18 18 GLY H H 18 8.038 8.038 8.099 -0.061 19486 5216 1 18 . 1 1 19 19 LEU N N 19 123.120 123.120 122.734 0.386 19486 5217 1 18 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.214 -0.997 19486 5218 1 18 . 1 1 19 19 LEU C C 19 176.975 176.975 178.721 -1.746 19486 5219 1 18 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.424 0.350 19486 5220 1 18 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.380 -0.485 19486 5221 1 18 . 1 1 19 19 LEU H H 19 7.240 7.240 7.456 -0.216 19486 5222 1 18 . 1 1 20 20 ARG N N 20 119.506 119.506 118.355 1.151 19486 5223 1 18 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.940 -0.156 19486 5224 1 18 . 1 1 20 20 ARG C C 20 181.705 181.705 178.568 3.137 19486 5225 1 18 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.914 1.469 19486 5226 1 18 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.362 0.565 19486 5227 1 18 . 1 1 20 20 ARG H H 20 8.426 8.426 7.499 0.927 19486 5228 1 18 . 1 1 21 21 GLU N N 21 117.954 117.954 119.861 -1.907 19486 5229 1 18 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.024 -0.084 19486 5230 1 18 . 1 1 21 21 GLU C C 21 180.973 180.973 178.798 2.175 19486 5231 1 18 . 1 1 21 21 GLU CA C 21 59.155 59.155 59.479 -0.324 19486 5232 1 18 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.617 0.005 19486 5233 1 18 . 1 1 21 21 GLU H H 21 7.961 7.961 8.314 -0.353 19486 5234 1 18 . 1 1 22 22 HIS N N 22 119.084 119.084 119.484 -0.400 19486 5235 1 18 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.323 -0.087 19486 5236 1 18 . 1 1 22 22 HIS C C 22 179.182 179.182 177.374 1.808 19486 5237 1 18 . 1 1 22 22 HIS CA C 22 58.860 58.860 59.006 -0.146 19486 5238 1 18 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.841 -1.582 19486 5239 1 18 . 1 1 22 22 HIS H H 22 7.434 7.434 8.002 -0.568 19486 5240 1 18 . 1 1 23 23 LEU N N 23 122.153 122.153 118.700 3.453 19486 5241 1 18 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.361 -0.596 19486 5242 1 18 . 1 1 23 23 LEU C C 23 181.265 181.265 178.551 2.714 19486 5243 1 18 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.045 1.542 19486 5244 1 18 . 1 1 23 23 LEU CB C 23 41.840 41.840 42.332 -0.492 19486 5245 1 18 . 1 1 23 23 LEU H H 23 8.835 8.835 8.018 0.817 19486 5246 1 18 . 1 1 24 24 GLN N N 24 115.740 115.740 116.918 -1.178 19486 5247 1 18 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.203 -0.195 19486 5248 1 18 . 1 1 24 24 GLN C C 24 178.454 178.454 178.073 0.381 19486 5249 1 18 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.524 -0.554 19486 5250 1 18 . 1 1 24 24 GLN CB C 24 28.431 28.431 29.344 -0.913 19486 5251 1 18 . 1 1 24 24 GLN H H 24 7.142 7.142 7.802 -0.660 19486 5252 1 18 . 1 1 25 25 THR N N 25 109.376 109.376 112.297 -2.921 19486 5253 1 18 . 1 1 25 25 THR HA H 25 4.129 4.129 4.166 -0.037 19486 5254 1 18 . 1 1 25 25 THR C C 25 173.471 173.471 176.017 -2.546 19486 5255 1 18 . 1 1 25 25 THR CA C 25 63.754 63.754 64.595 -0.841 19486 5256 1 18 . 1 1 25 25 THR CB C 25 69.467 69.467 68.655 0.812 19486 5257 1 18 . 1 1 25 25 THR H H 25 7.801 7.801 7.962 -0.161 19486 5258 1 18 . 1 1 26 26 HIS N N 26 118.158 118.158 121.523 -3.365 19486 5259 1 18 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.296 0.595 19486 5260 1 18 . 1 1 26 26 HIS C C 26 171.847 171.847 175.753 -3.906 19486 5261 1 18 . 1 1 26 26 HIS CA C 26 55.083 55.083 58.001 -2.918 19486 5262 1 18 . 1 1 26 26 HIS CB C 26 28.686 28.686 29.296 -0.610 19486 5263 1 18 . 1 1 26 26 HIS H H 26 7.095 7.095 7.795 -0.700 19486 5264 1 18 . 1 1 27 27 ARG N N 27 120.083 120.083 117.200 2.883 19486 5265 1 18 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.251 0.149 19486 5266 1 18 . 1 1 27 27 ARG C C 27 175.194 175.194 177.530 -2.336 19486 5267 1 18 . 1 1 27 27 ARG CA C 27 56.387 56.387 56.906 -0.518 19486 5268 1 18 . 1 1 27 27 ARG CB C 27 31.260 31.260 29.948 1.312 19486 5269 1 18 . 1 1 27 27 ARG H H 27 7.630 7.630 7.706 -0.076 19486 5270 1 18 . 1 1 28 28 GLY N N 28 109.773 109.773 109.968 -0.195 19486 5271 1 18 . 1 1 28 28 GLY CA C 28 44.632 44.632 43.806 0.826 19486 5272 1 18 . 1 1 28 28 GLY H H 28 8.217 8.217 7.663 0.554 19486 5273 1 18 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.521 -0.134 19486 5274 1 18 . 1 1 29 29 PRO C C 29 176.069 176.069 175.975 0.094 19486 5275 1 18 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.631 0.399 19486 5276 1 18 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.726 -0.499 19486 5277 1 18 . 1 1 30 30 ALA N N 30 124.277 124.277 125.671 -1.394 19486 5278 1 18 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.557 -0.366 19486 5279 1 18 . 1 1 30 30 ALA C C 30 177.466 177.466 176.511 0.955 19486 5280 1 18 . 1 1 30 30 ALA CA C 30 52.423 52.423 51.292 1.131 19486 5281 1 18 . 1 1 30 30 ALA CB C 30 19.185 19.185 19.386 -0.201 19486 5282 1 18 . 1 1 30 30 ALA H H 30 8.312 8.312 8.444 -0.132 19486 5283 1 18 . 1 1 31 31 LYS N N 31 120.503 120.503 120.152 0.351 19486 5284 1 18 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.268 -0.115 19486 5285 1 18 . 1 1 31 31 LYS C C 31 173.444 173.444 175.800 -2.356 19486 5286 1 18 . 1 1 31 31 LYS CA C 31 55.970 55.970 55.574 0.396 19486 5287 1 18 . 1 1 31 31 LYS CB C 31 33.189 33.189 33.099 0.090 19486 5288 1 18 . 1 1 31 31 LYS H H 31 8.160 8.160 7.769 0.391 19486 5289 1 18 . 1 1 32 32 HIS N N 32 118.745 118.745 122.444 -3.699 19486 5290 1 18 . 1 1 32 32 HIS HA H 32 4.642 4.642 5.093 -0.451 19486 5291 1 18 . 1 1 32 32 HIS C C 32 171.199 171.199 175.005 -3.806 19486 5292 1 18 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.152 0.489 19486 5293 1 18 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.294 1.999 19486 5294 1 18 . 1 1 32 32 HIS H H 32 7.888 7.888 8.527 -0.639 19486 5295 1 18 . 1 1 33 33 TYR N N 33 120.158 120.158 123.765 -3.607 19486 5296 1 18 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.569 -0.025 19486 5297 1 18 . 1 1 33 33 TYR C C 33 172.174 172.174 175.208 -3.034 19486 5298 1 18 . 1 1 33 33 TYR CA C 33 57.776 57.776 57.948 -0.172 19486 5299 1 18 . 1 1 33 33 TYR CB C 33 39.394 39.394 38.770 0.624 19486 5300 1 18 . 1 1 33 33 TYR H H 33 8.672 8.672 8.628 0.044 19486 5301 1 18 . 1 1 34 34 MET N N 34 123.629 123.629 124.557 -0.928 19486 5302 1 18 . 1 1 34 34 MET HA H 34 5.113 5.113 4.956 0.157 19486 5303 1 18 . 1 1 34 34 MET C C 34 172.661 172.661 175.683 -3.022 19486 5304 1 18 . 1 1 34 34 MET CA C 34 54.285 54.285 54.481 -0.196 19486 5305 1 18 . 1 1 34 34 MET CB C 34 35.606 35.606 35.220 0.386 19486 5306 1 18 . 1 1 34 34 MET H H 34 8.770 8.770 8.372 0.398 19486 5307 1 18 . 1 1 35 35 CYS N N 35 128.648 128.648 127.259 1.389 19486 5308 1 18 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.896 -0.082 19486 5309 1 18 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.226 0.003 19486 5310 1 18 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.644 2.769 19486 5311 1 18 . 1 1 35 35 CYS H H 35 9.412 9.412 8.767 0.645 19486 5312 1 18 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.373 0.154 19486 5313 1 18 . 1 1 36 36 PRO C C 36 175.359 175.359 177.253 -1.894 19486 5314 1 18 . 1 1 36 36 PRO CA C 36 64.130 64.130 64.967 -0.837 19486 5315 1 18 . 1 1 36 36 PRO CB C 36 32.327 32.327 32.082 0.245 19486 5316 1 18 . 1 1 37 37 ILE N N 37 121.680 121.680 117.868 3.812 19486 5317 1 18 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.881 0.025 19486 5318 1 18 . 1 1 37 37 ILE C C 37 176.316 176.316 177.564 -1.248 19486 5319 1 18 . 1 1 37 37 ILE CA C 37 63.160 63.160 63.176 -0.016 19486 5320 1 18 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.153 0.180 19486 5321 1 18 . 1 1 37 37 ILE H H 37 8.802 8.802 7.895 0.907 19486 5322 1 18 . 1 1 38 38 CYS N N 38 115.962 115.962 115.718 0.244 19486 5323 1 18 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.828 0.309 19486 5324 1 18 . 1 1 38 38 CYS C C 38 175.994 175.994 175.714 0.280 19486 5325 1 18 . 1 1 38 38 CYS CA C 38 58.260 58.260 58.439 -0.179 19486 5326 1 18 . 1 1 38 38 CYS CB C 38 32.806 32.806 30.342 2.464 19486 5327 1 18 . 1 1 38 38 CYS H H 38 8.070 8.070 8.290 -0.220 19486 5328 1 18 . 1 1 39 39 GLY N N 39 113.286 113.286 111.348 1.938 19486 5329 1 18 . 1 1 39 39 GLY C C 39 169.495 169.495 174.210 -4.715 19486 5330 1 18 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.012 1.434 19486 5331 1 18 . 1 1 39 39 GLY H H 39 8.113 8.113 8.574 -0.461 19486 5332 1 18 . 1 1 40 40 GLU N N 40 122.500 122.500 119.003 3.497 19486 5333 1 18 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.319 -0.291 19486 5334 1 18 . 1 1 40 40 GLU C C 40 171.486 171.486 175.239 -3.753 19486 5335 1 18 . 1 1 40 40 GLU CA C 40 57.719 57.719 54.857 2.862 19486 5336 1 18 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.751 -0.317 19486 5337 1 18 . 1 1 40 40 GLU H H 40 8.119 8.119 8.518 -0.399 19486 5338 1 18 . 1 1 41 41 ARG N N 41 120.904 120.904 121.126 -0.222 19486 5339 1 18 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.314 0.624 19486 5340 1 18 . 1 1 41 41 ARG C C 41 173.428 173.428 175.501 -2.073 19486 5341 1 18 . 1 1 41 41 ARG CA C 41 55.153 55.153 55.879 -0.726 19486 5342 1 18 . 1 1 41 41 ARG CB C 41 32.810 32.810 31.252 1.558 19486 5343 1 18 . 1 1 41 41 ARG H H 41 8.051 8.051 8.558 -0.507 19486 5344 1 18 . 1 1 42 42 PHE N N 42 119.481 119.481 122.960 -3.479 19486 5345 1 18 . 1 1 42 42 PHE HA H 42 4.688 4.688 5.046 -0.358 19486 5346 1 18 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.148 1.589 19486 5347 1 18 . 1 1 42 42 PHE CB C 42 41.976 41.976 40.736 1.240 19486 5348 1 18 . 1 1 42 42 PHE H H 42 8.856 8.856 8.345 0.511 19486 5349 1 18 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.586 0.203 19486 5350 1 18 . 1 1 43 43 PRO C C 43 174.319 174.319 177.007 -2.688 19486 5351 1 18 . 1 1 43 43 PRO CA C 43 63.666 63.666 64.633 -0.967 19486 5352 1 18 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.583 0.220 19486 5353 1 18 . 1 1 44 44 SER N N 44 110.500 110.500 112.318 -1.818 19486 5354 1 18 . 1 1 44 44 SER HA H 44 4.601 4.601 4.909 -0.308 19486 5355 1 18 . 1 1 44 44 SER C C 44 166.956 166.956 173.894 -6.938 19486 5356 1 18 . 1 1 44 44 SER CA C 44 55.700 55.700 57.529 -1.829 19486 5357 1 18 . 1 1 44 44 SER CB C 44 67.018 67.018 66.127 0.891 19486 5358 1 18 . 1 1 44 44 SER H H 44 7.246 7.246 7.543 -0.297 19486 5359 1 18 . 1 1 45 45 LEU N N 45 122.780 122.780 124.488 -1.708 19486 5360 1 18 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.103 -0.598 19486 5361 1 18 . 1 1 45 45 LEU C C 45 181.968 181.968 175.154 6.814 19486 5362 1 18 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.752 2.521 19486 5363 1 18 . 1 1 45 45 LEU CB C 45 41.177 41.177 39.359 1.818 19486 5364 1 18 . 1 1 45 45 LEU H H 45 8.272 8.272 8.453 -0.181 19486 5365 1 18 . 1 1 46 46 LEU N N 46 121.552 121.552 120.628 0.924 19486 5366 1 18 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.457 -0.423 19486 5367 1 18 . 1 1 46 46 LEU C C 46 180.359 180.359 178.193 2.166 19486 5368 1 18 . 1 1 46 46 LEU CA C 46 58.636 58.636 57.144 1.492 19486 5369 1 18 . 1 1 46 46 LEU CB C 46 42.115 42.115 41.865 0.250 19486 5370 1 18 . 1 1 46 46 LEU H H 46 8.289 8.289 7.887 0.402 19486 5371 1 18 . 1 1 47 47 THR N N 47 109.081 109.081 115.671 -6.590 19486 5372 1 18 . 1 1 47 47 THR HA H 47 3.980 3.980 4.245 -0.265 19486 5373 1 18 . 1 1 47 47 THR C C 47 179.649 179.649 176.504 3.145 19486 5374 1 18 . 1 1 47 47 THR CA C 47 65.057 65.057 65.344 -0.287 19486 5375 1 18 . 1 1 47 47 THR CB C 47 69.160 69.160 68.577 0.583 19486 5376 1 18 . 1 1 47 47 THR H H 47 7.456 7.456 7.862 -0.406 19486 5377 1 18 . 1 1 48 48 LEU N N 48 124.194 124.194 122.155 2.039 19486 5378 1 18 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.204 0.065 19486 5379 1 18 . 1 1 48 48 LEU C C 48 178.335 178.335 178.190 0.145 19486 5380 1 18 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.259 0.122 19486 5381 1 18 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.222 -0.355 19486 5382 1 18 . 1 1 48 48 LEU H H 48 7.582 7.582 7.173 0.409 19486 5383 1 18 . 1 1 49 49 THR N N 49 117.072 117.072 114.586 2.486 19486 5384 1 18 . 1 1 49 49 THR HA H 49 3.645 3.645 3.883 -0.238 19486 5385 1 18 . 1 1 49 49 THR C C 49 175.471 175.471 176.924 -1.453 19486 5386 1 18 . 1 1 49 49 THR CA C 49 67.720 67.720 66.882 0.838 19486 5387 1 18 . 1 1 49 49 THR CB C 49 68.791 68.791 68.213 0.578 19486 5388 1 18 . 1 1 49 49 THR H H 49 8.558 8.558 7.989 0.569 19486 5389 1 18 . 1 1 50 50 GLU N N 50 120.004 120.004 121.232 -1.228 19486 5390 1 18 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.913 0.016 19486 5391 1 18 . 1 1 50 50 GLU C C 50 179.081 179.081 178.954 0.127 19486 5392 1 18 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.333 -0.203 19486 5393 1 18 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.496 0.188 19486 5394 1 18 . 1 1 50 50 GLU H H 50 7.966 7.966 7.881 0.085 19486 5395 1 18 . 1 1 51 51 HIS N N 51 117.288 117.288 119.365 -2.077 19486 5396 1 18 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.288 -0.039 19486 5397 1 18 . 1 1 51 51 HIS C C 51 178.240 178.240 176.674 1.566 19486 5398 1 18 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.785 -0.299 19486 5399 1 18 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.845 -1.781 19486 5400 1 18 . 1 1 51 51 HIS H H 51 7.377 7.377 7.826 -0.449 19486 5401 1 18 . 1 1 52 52 LYS N N 52 120.729 120.729 118.584 2.145 19486 5402 1 18 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.031 -0.353 19486 5403 1 18 . 1 1 52 52 LYS C C 52 178.361 178.361 179.105 -0.744 19486 5404 1 18 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.169 1.484 19486 5405 1 18 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.555 -0.095 19486 5406 1 18 . 1 1 52 52 LYS H H 52 8.572 8.572 7.767 0.805 19486 5407 1 18 . 1 1 53 53 VAL N N 53 112.220 112.220 113.010 -0.790 19486 5408 1 18 . 1 1 53 53 VAL HA H 53 4.099 4.099 4.023 0.076 19486 5409 1 18 . 1 1 53 53 VAL C C 53 175.078 175.078 177.682 -2.604 19486 5410 1 18 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.601 -1.161 19486 5411 1 18 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.927 -0.540 19486 5412 1 18 . 1 1 53 53 VAL H H 53 6.940 6.940 7.512 -0.572 19486 5413 1 18 . 1 1 54 54 THR N N 54 110.466 110.466 112.504 -2.038 19486 5414 1 18 . 1 1 54 54 THR HA H 54 4.135 4.135 4.281 -0.146 19486 5415 1 18 . 1 1 54 54 THR C C 54 171.847 171.847 174.457 -2.610 19486 5416 1 18 . 1 1 54 54 THR CA C 54 63.056 63.056 60.785 2.271 19486 5417 1 18 . 1 1 54 54 THR CB C 54 69.595 69.595 67.816 1.779 19486 5418 1 18 . 1 1 54 54 THR H H 54 7.581 7.581 7.541 0.040 19486 5419 1 19 . 1 1 2 2 GLY N N 2 110.487 110.487 109.857 0.630 19486 5420 1 19 . 1 1 2 2 GLY C C 2 169.148 169.148 175.266 -6.118 19486 5421 1 19 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.667 0.412 19486 5422 1 19 . 1 1 2 2 GLY H H 2 8.216 8.216 8.555 -0.339 19486 5423 1 19 . 1 1 3 3 SER N N 3 114.424 114.424 116.523 -2.099 19486 5424 1 19 . 1 1 3 3 SER HA H 3 4.357 4.357 4.355 0.002 19486 5425 1 19 . 1 1 3 3 SER C C 3 169.812 169.812 173.761 -3.949 19486 5426 1 19 . 1 1 3 3 SER CA C 3 58.382 58.382 59.348 -0.966 19486 5427 1 19 . 1 1 3 3 SER CB C 3 64.088 64.088 62.720 1.368 19486 5428 1 19 . 1 1 3 3 SER H H 3 7.996 7.996 8.536 -0.540 19486 5429 1 19 . 1 1 4 4 HIS N N 4 122.476 122.476 127.022 -4.546 19486 5430 1 19 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.748 -0.140 19486 5431 1 19 . 1 1 4 4 HIS C C 4 170.682 170.682 173.305 -2.623 19486 5432 1 19 . 1 1 4 4 HIS CA C 4 55.362 55.362 55.138 0.224 19486 5433 1 19 . 1 1 4 4 HIS CB C 4 30.816 30.816 29.244 1.572 19486 5434 1 19 . 1 1 4 4 HIS H H 4 8.315 8.315 8.493 -0.178 19486 5435 1 19 . 1 1 5 5 LYS N N 5 125.975 125.975 123.511 2.464 19486 5436 1 19 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.630 0.125 19486 5437 1 19 . 1 1 5 5 LYS C C 5 172.684 172.684 175.247 -2.563 19486 5438 1 19 . 1 1 5 5 LYS CA C 5 55.663 55.663 54.817 0.846 19486 5439 1 19 . 1 1 5 5 LYS CB C 5 35.248 35.248 35.128 0.120 19486 5440 1 19 . 1 1 5 5 LYS H H 5 8.655 8.655 8.206 0.449 19486 5441 1 19 . 1 1 6 6 CYS N N 6 127.588 127.588 126.774 0.814 19486 5442 1 19 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.698 -0.242 19486 5443 1 19 . 1 1 6 6 CYS C C 6 175.723 175.723 175.500 0.223 19486 5444 1 19 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.405 1.813 19486 5445 1 19 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.902 2.811 19486 5446 1 19 . 1 1 6 6 CYS H H 6 9.046 9.046 8.802 0.244 19486 5447 1 19 . 1 1 7 7 ASN N N 7 128.450 128.450 126.406 2.044 19486 5448 1 19 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.460 0.148 19486 5449 1 19 . 1 1 7 7 ASN C C 7 172.781 172.781 176.884 -4.103 19486 5450 1 19 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.227 -1.209 19486 5451 1 19 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.586 -0.445 19486 5452 1 19 . 1 1 7 7 ASN H H 7 9.075 9.075 8.955 0.120 19486 5453 1 19 . 1 1 8 8 VAL N N 8 123.473 123.473 119.253 4.220 19486 5454 1 19 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.648 0.157 19486 5455 1 19 . 1 1 8 8 VAL C C 8 176.694 176.694 177.021 -0.327 19486 5456 1 19 . 1 1 8 8 VAL CA C 8 65.026 65.026 65.254 -0.228 19486 5457 1 19 . 1 1 8 8 VAL CB C 8 32.962 32.962 30.552 2.410 19486 5458 1 19 . 1 1 8 8 VAL H H 8 9.223 9.223 8.124 1.099 19486 5459 1 19 . 1 1 9 9 CYS N N 9 118.379 118.379 117.145 1.234 19486 5460 1 19 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.485 0.674 19486 5461 1 19 . 1 1 9 9 CYS C C 9 173.754 173.754 175.334 -1.580 19486 5462 1 19 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.826 -1.374 19486 5463 1 19 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.324 4.020 19486 5464 1 19 . 1 1 9 9 CYS H H 9 8.457 8.457 8.021 0.436 19486 5465 1 19 . 1 1 10 10 SER N N 10 114.054 114.054 110.719 3.335 19486 5466 1 19 . 1 1 10 10 SER HA H 10 4.260 4.260 4.143 0.117 19486 5467 1 19 . 1 1 10 10 SER C C 10 169.209 169.209 173.570 -4.361 19486 5468 1 19 . 1 1 10 10 SER CA C 10 61.286 61.286 60.151 1.135 19486 5469 1 19 . 1 1 10 10 SER CB C 10 62.173 62.173 61.904 0.269 19486 5470 1 19 . 1 1 10 10 SER H H 10 7.910 7.910 8.545 -0.635 19486 5471 1 19 . 1 1 11 11 ARG N N 11 122.514 122.514 118.758 3.756 19486 5472 1 19 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.754 -0.676 19486 5473 1 19 . 1 1 11 11 ARG C C 11 172.193 172.193 174.652 -2.459 19486 5474 1 19 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.440 3.449 19486 5475 1 19 . 1 1 11 11 ARG CB C 11 31.569 31.569 32.244 -0.675 19486 5476 1 19 . 1 1 11 11 ARG H H 11 8.047 8.047 7.741 0.306 19486 5477 1 19 . 1 1 12 12 THR N N 12 111.399 111.399 112.102 -0.703 19486 5478 1 19 . 1 1 12 12 THR HA H 12 4.896 4.896 4.546 0.350 19486 5479 1 19 . 1 1 12 12 THR C C 12 168.910 168.910 172.956 -4.046 19486 5480 1 19 . 1 1 12 12 THR CA C 12 60.396 60.396 60.826 -0.430 19486 5481 1 19 . 1 1 12 12 THR CB C 12 71.239 71.239 70.544 0.695 19486 5482 1 19 . 1 1 12 12 THR H H 12 7.716 7.716 8.074 -0.358 19486 5483 1 19 . 1 1 13 13 PHE N N 13 118.814 118.814 122.049 -3.235 19486 5484 1 19 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.728 -0.288 19486 5485 1 19 . 1 1 13 13 PHE C C 13 173.256 173.256 175.582 -2.326 19486 5486 1 19 . 1 1 13 13 PHE CA C 13 57.579 57.579 57.019 0.560 19486 5487 1 19 . 1 1 13 13 PHE CB C 13 43.109 43.109 41.762 1.347 19486 5488 1 19 . 1 1 13 13 PHE H H 13 8.527 8.527 8.852 -0.325 19486 5489 1 19 . 1 1 14 14 PHE N N 14 119.476 119.476 123.690 -4.214 19486 5490 1 19 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.293 0.507 19486 5491 1 19 . 1 1 14 14 PHE C C 14 173.255 173.255 174.812 -1.557 19486 5492 1 19 . 1 1 14 14 PHE CA C 14 59.206 59.206 59.625 -0.419 19486 5493 1 19 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.654 -0.218 19486 5494 1 19 . 1 1 14 14 PHE H H 14 8.975 8.975 8.263 0.712 19486 5495 1 19 . 1 1 15 15 SER N N 15 111.316 111.316 113.938 -2.622 19486 5496 1 19 . 1 1 15 15 SER HA H 15 4.573 4.573 4.582 -0.009 19486 5497 1 19 . 1 1 15 15 SER C C 15 169.172 169.172 175.100 -5.928 19486 5498 1 19 . 1 1 15 15 SER CA C 15 55.948 55.948 57.461 -1.513 19486 5499 1 19 . 1 1 15 15 SER CB C 15 67.029 67.029 65.129 1.899 19486 5500 1 19 . 1 1 15 15 SER H H 15 7.813 7.813 8.278 -0.465 19486 5501 1 19 . 1 1 16 16 GLU N N 16 123.055 123.055 123.940 -0.885 19486 5502 1 19 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.060 -0.640 19486 5503 1 19 . 1 1 16 16 GLU C C 16 179.932 179.932 177.690 2.242 19486 5504 1 19 . 1 1 16 16 GLU CA C 16 59.294 59.294 58.991 0.303 19486 5505 1 19 . 1 1 16 16 GLU CB C 16 29.038 29.038 28.668 0.371 19486 5506 1 19 . 1 1 16 16 GLU H H 16 8.755 8.755 9.000 -0.245 19486 5507 1 19 . 1 1 17 17 ASN N N 17 117.537 117.537 117.867 -0.330 19486 5508 1 19 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.519 -0.234 19486 5509 1 19 . 1 1 17 17 ASN C C 17 177.403 177.403 177.753 -0.350 19486 5510 1 19 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.719 0.725 19486 5511 1 19 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.437 0.517 19486 5512 1 19 . 1 1 17 17 ASN H H 17 8.548 8.548 8.525 0.023 19486 5513 1 19 . 1 1 18 18 GLY N N 18 108.587 108.587 109.057 -0.470 19486 5514 1 19 . 1 1 18 18 GLY C C 18 175.491 175.491 175.590 -0.099 19486 5515 1 19 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.292 0.397 19486 5516 1 19 . 1 1 18 18 GLY H H 18 8.038 8.038 8.302 -0.264 19486 5517 1 19 . 1 1 19 19 LEU N N 19 123.120 123.120 122.583 0.537 19486 5518 1 19 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.117 -0.900 19486 5519 1 19 . 1 1 19 19 LEU C C 19 176.975 176.975 178.499 -1.524 19486 5520 1 19 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.633 0.141 19486 5521 1 19 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.731 -0.836 19486 5522 1 19 . 1 1 19 19 LEU H H 19 7.240 7.240 7.807 -0.567 19486 5523 1 19 . 1 1 20 20 ARG N N 20 119.506 119.506 117.671 1.835 19486 5524 1 19 . 1 1 20 20 ARG HA H 20 3.784 3.784 4.027 -0.243 19486 5525 1 19 . 1 1 20 20 ARG C C 20 181.705 181.705 178.509 3.196 19486 5526 1 19 . 1 1 20 20 ARG CA C 20 60.383 60.383 58.567 1.816 19486 5527 1 19 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.544 0.383 19486 5528 1 19 . 1 1 20 20 ARG H H 20 8.426 8.426 7.595 0.831 19486 5529 1 19 . 1 1 21 21 GLU N N 21 117.954 117.954 118.379 -0.425 19486 5530 1 19 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.105 -0.165 19486 5531 1 19 . 1 1 21 21 GLU C C 21 180.973 180.973 179.121 1.852 19486 5532 1 19 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.744 0.411 19486 5533 1 19 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.716 -0.094 19486 5534 1 19 . 1 1 21 21 GLU H H 21 7.961 7.961 7.778 0.183 19486 5535 1 19 . 1 1 22 22 HIS N N 22 119.084 119.084 120.050 -0.966 19486 5536 1 19 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.327 -0.091 19486 5537 1 19 . 1 1 22 22 HIS C C 22 179.182 179.182 177.211 1.971 19486 5538 1 19 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.711 0.149 19486 5539 1 19 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.799 -1.540 19486 5540 1 19 . 1 1 22 22 HIS H H 22 7.434 7.434 7.906 -0.472 19486 5541 1 19 . 1 1 23 23 LEU N N 23 122.153 122.153 118.067 4.086 19486 5542 1 19 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.138 -0.373 19486 5543 1 19 . 1 1 23 23 LEU C C 23 181.265 181.265 179.038 2.227 19486 5544 1 19 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.525 1.062 19486 5545 1 19 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.588 0.252 19486 5546 1 19 . 1 1 23 23 LEU H H 23 8.835 8.835 8.102 0.733 19486 5547 1 19 . 1 1 24 24 GLN N N 24 115.740 115.740 116.125 -0.385 19486 5548 1 19 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.126 -0.118 19486 5549 1 19 . 1 1 24 24 GLN C C 24 178.454 178.454 177.278 1.176 19486 5550 1 19 . 1 1 24 24 GLN CA C 24 57.970 57.970 57.748 0.222 19486 5551 1 19 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.579 -0.148 19486 5552 1 19 . 1 1 24 24 GLN H H 24 7.142 7.142 7.572 -0.430 19486 5553 1 19 . 1 1 25 25 THR N N 25 109.376 109.376 109.968 -0.592 19486 5554 1 19 . 1 1 25 25 THR HA H 25 4.129 4.129 4.026 0.103 19486 5555 1 19 . 1 1 25 25 THR C C 25 173.471 173.471 174.678 -1.207 19486 5556 1 19 . 1 1 25 25 THR CA C 25 63.754 63.754 63.228 0.526 19486 5557 1 19 . 1 1 25 25 THR CB C 25 69.467 69.467 68.395 1.072 19486 5558 1 19 . 1 1 25 25 THR H H 25 7.801 7.801 7.273 0.528 19486 5559 1 19 . 1 1 26 26 HIS N N 26 118.158 118.158 118.690 -0.532 19486 5560 1 19 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.787 0.103 19486 5561 1 19 . 1 1 26 26 HIS C C 26 171.847 171.847 175.280 -3.433 19486 5562 1 19 . 1 1 26 26 HIS CA C 26 55.083 55.083 55.838 -0.755 19486 5563 1 19 . 1 1 26 26 HIS CB C 26 28.686 28.686 30.670 -1.984 19486 5564 1 19 . 1 1 26 26 HIS H H 26 7.095 7.095 7.467 -0.372 19486 5565 1 19 . 1 1 27 27 ARG N N 27 120.083 120.083 121.568 -1.485 19486 5566 1 19 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.091 0.309 19486 5567 1 19 . 1 1 27 27 ARG C C 27 175.194 175.194 176.900 -1.706 19486 5568 1 19 . 1 1 27 27 ARG CA C 27 56.387 56.387 58.076 -1.689 19486 5569 1 19 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.663 0.597 19486 5570 1 19 . 1 1 27 27 ARG H H 27 7.630 7.630 7.544 0.086 19486 5571 1 19 . 1 1 28 28 GLY N N 28 109.773 109.773 106.687 3.086 19486 5572 1 19 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.373 0.259 19486 5573 1 19 . 1 1 28 28 GLY H H 28 8.217 8.217 8.046 0.171 19486 5574 1 19 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.589 -0.202 19486 5575 1 19 . 1 1 29 29 PRO C C 29 176.069 176.069 176.442 -0.373 19486 5576 1 19 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.851 0.179 19486 5577 1 19 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.192 0.035 19486 5578 1 19 . 1 1 30 30 ALA N N 30 124.277 124.277 123.226 1.051 19486 5579 1 19 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.490 -0.299 19486 5580 1 19 . 1 1 30 30 ALA C C 30 177.466 177.466 177.576 -0.110 19486 5581 1 19 . 1 1 30 30 ALA CA C 30 52.423 52.423 52.270 0.153 19486 5582 1 19 . 1 1 30 30 ALA CB C 30 19.185 19.185 19.629 -0.444 19486 5583 1 19 . 1 1 30 30 ALA H H 30 8.312 8.312 8.349 -0.037 19486 5584 1 19 . 1 1 31 31 LYS N N 31 120.503 120.503 121.898 -1.395 19486 5585 1 19 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.423 -0.270 19486 5586 1 19 . 1 1 31 31 LYS C C 31 173.444 173.444 174.849 -1.405 19486 5587 1 19 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.089 -0.119 19486 5588 1 19 . 1 1 31 31 LYS CB C 31 33.189 33.189 31.354 1.835 19486 5589 1 19 . 1 1 31 31 LYS H H 31 8.160 8.160 8.190 -0.030 19486 5590 1 19 . 1 1 32 32 HIS N N 32 118.745 118.745 119.527 -0.782 19486 5591 1 19 . 1 1 32 32 HIS HA H 32 4.642 4.642 5.433 -0.791 19486 5592 1 19 . 1 1 32 32 HIS C C 32 171.199 171.199 173.868 -2.669 19486 5593 1 19 . 1 1 32 32 HIS CA C 32 55.641 55.641 54.679 0.962 19486 5594 1 19 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.183 2.110 19486 5595 1 19 . 1 1 32 32 HIS H H 32 7.888 7.888 8.173 -0.285 19486 5596 1 19 . 1 1 33 33 TYR N N 33 120.158 120.158 125.925 -5.767 19486 5597 1 19 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.462 0.082 19486 5598 1 19 . 1 1 33 33 TYR C C 33 172.174 172.174 174.785 -2.611 19486 5599 1 19 . 1 1 33 33 TYR CA C 33 57.776 57.776 58.154 -0.378 19486 5600 1 19 . 1 1 33 33 TYR CB C 33 39.394 39.394 40.221 -0.827 19486 5601 1 19 . 1 1 33 33 TYR H H 33 8.672 8.672 8.446 0.226 19486 5602 1 19 . 1 1 34 34 MET N N 34 123.629 123.629 128.956 -5.327 19486 5603 1 19 . 1 1 34 34 MET HA H 34 5.113 5.113 4.708 0.405 19486 5604 1 19 . 1 1 34 34 MET C C 34 172.661 172.661 175.151 -2.490 19486 5605 1 19 . 1 1 34 34 MET CA C 34 54.285 54.285 54.739 -0.454 19486 5606 1 19 . 1 1 34 34 MET CB C 34 35.606 35.606 33.176 2.430 19486 5607 1 19 . 1 1 34 34 MET H H 34 8.770 8.770 8.035 0.735 19486 5608 1 19 . 1 1 35 35 CYS N N 35 128.648 128.648 129.069 -0.421 19486 5609 1 19 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.730 0.084 19486 5610 1 19 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.931 -0.702 19486 5611 1 19 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.438 2.975 19486 5612 1 19 . 1 1 35 35 CYS H H 35 9.412 9.412 8.672 0.740 19486 5613 1 19 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.242 0.285 19486 5614 1 19 . 1 1 36 36 PRO C C 36 175.359 175.359 177.205 -1.846 19486 5615 1 19 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.532 -1.402 19486 5616 1 19 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.906 0.421 19486 5617 1 19 . 1 1 37 37 ILE N N 37 121.680 121.680 117.011 4.669 19486 5618 1 19 . 1 1 37 37 ILE HA H 37 3.906 3.906 4.005 -0.099 19486 5619 1 19 . 1 1 37 37 ILE C C 37 176.316 176.316 177.356 -1.040 19486 5620 1 19 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.768 0.392 19486 5621 1 19 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.315 0.018 19486 5622 1 19 . 1 1 37 37 ILE H H 37 8.802 8.802 8.633 0.169 19486 5623 1 19 . 1 1 38 38 CYS N N 38 115.962 115.962 115.260 0.702 19486 5624 1 19 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.995 0.142 19486 5625 1 19 . 1 1 38 38 CYS C C 38 175.994 175.994 176.211 -0.217 19486 5626 1 19 . 1 1 38 38 CYS CA C 38 58.260 58.260 57.586 0.674 19486 5627 1 19 . 1 1 38 38 CYS CB C 38 32.806 32.806 29.931 2.875 19486 5628 1 19 . 1 1 38 38 CYS H H 38 8.070 8.070 8.371 -0.301 19486 5629 1 19 . 1 1 39 39 GLY N N 39 113.286 113.286 111.478 1.808 19486 5630 1 19 . 1 1 39 39 GLY C C 39 169.495 169.495 175.197 -5.702 19486 5631 1 19 . 1 1 39 39 GLY CA C 39 46.446 46.446 46.153 0.293 19486 5632 1 19 . 1 1 39 39 GLY H H 39 8.113 8.113 8.044 0.068 19486 5633 1 19 . 1 1 40 40 GLU N N 40 122.500 122.500 120.169 2.331 19486 5634 1 19 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.363 -0.335 19486 5635 1 19 . 1 1 40 40 GLU C C 40 171.486 171.486 176.476 -4.990 19486 5636 1 19 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.811 0.908 19486 5637 1 19 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.580 -0.146 19486 5638 1 19 . 1 1 40 40 GLU H H 40 8.119 8.119 7.808 0.311 19486 5639 1 19 . 1 1 41 41 ARG N N 41 120.904 120.904 121.330 -0.426 19486 5640 1 19 . 1 1 41 41 ARG HA H 41 4.938 4.938 5.017 -0.079 19486 5641 1 19 . 1 1 41 41 ARG C C 41 173.428 173.428 175.942 -2.514 19486 5642 1 19 . 1 1 41 41 ARG CA C 41 55.153 55.153 55.830 -0.677 19486 5643 1 19 . 1 1 41 41 ARG CB C 41 32.810 32.810 31.413 1.397 19486 5644 1 19 . 1 1 41 41 ARG H H 41 8.051 8.051 8.425 -0.374 19486 5645 1 19 . 1 1 42 42 PHE N N 42 119.481 119.481 124.506 -5.025 19486 5646 1 19 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.995 -0.307 19486 5647 1 19 . 1 1 42 42 PHE CA C 42 56.737 56.737 54.927 1.810 19486 5648 1 19 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.309 0.667 19486 5649 1 19 . 1 1 42 42 PHE H H 42 8.856 8.856 8.410 0.446 19486 5650 1 19 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.745 0.044 19486 5651 1 19 . 1 1 43 43 PRO C C 43 174.319 174.319 176.387 -2.068 19486 5652 1 19 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.495 0.171 19486 5653 1 19 . 1 1 43 43 PRO CB C 43 32.803 32.803 31.991 0.812 19486 5654 1 19 . 1 1 44 44 SER N N 44 110.500 110.500 112.721 -2.221 19486 5655 1 19 . 1 1 44 44 SER HA H 44 4.601 4.601 4.687 -0.086 19486 5656 1 19 . 1 1 44 44 SER C C 44 166.956 166.956 173.073 -6.117 19486 5657 1 19 . 1 1 44 44 SER CA C 44 55.700 55.700 56.596 -0.896 19486 5658 1 19 . 1 1 44 44 SER CB C 44 67.018 67.018 65.745 1.273 19486 5659 1 19 . 1 1 44 44 SER H H 44 7.246 7.246 7.664 -0.418 19486 5660 1 19 . 1 1 45 45 LEU N N 45 122.780 122.780 118.261 4.519 19486 5661 1 19 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.591 -1.086 19486 5662 1 19 . 1 1 45 45 LEU C C 45 181.968 181.968 175.474 6.494 19486 5663 1 19 . 1 1 45 45 LEU CA C 45 57.272 57.272 55.251 2.021 19486 5664 1 19 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.114 1.063 19486 5665 1 19 . 1 1 45 45 LEU H H 45 8.272 8.272 8.836 -0.564 19486 5666 1 19 . 1 1 46 46 LEU N N 46 121.552 121.552 117.467 4.085 19486 5667 1 19 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.530 -0.496 19486 5668 1 19 . 1 1 46 46 LEU C C 46 180.359 180.359 178.555 1.804 19486 5669 1 19 . 1 1 46 46 LEU CA C 46 58.636 58.636 55.670 2.966 19486 5670 1 19 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.913 -1.798 19486 5671 1 19 . 1 1 46 46 LEU H H 46 8.289 8.289 7.498 0.791 19486 5672 1 19 . 1 1 47 47 THR N N 47 109.081 109.081 115.322 -6.241 19486 5673 1 19 . 1 1 47 47 THR HA H 47 3.980 3.980 4.257 -0.277 19486 5674 1 19 . 1 1 47 47 THR C C 47 179.649 179.649 176.528 3.121 19486 5675 1 19 . 1 1 47 47 THR CA C 47 65.057 65.057 65.585 -0.528 19486 5676 1 19 . 1 1 47 47 THR CB C 47 69.160 69.160 69.267 -0.107 19486 5677 1 19 . 1 1 47 47 THR H H 47 7.456 7.456 8.059 -0.603 19486 5678 1 19 . 1 1 48 48 LEU N N 48 124.194 124.194 122.153 2.041 19486 5679 1 19 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.527 -0.258 19486 5680 1 19 . 1 1 48 48 LEU C C 48 178.335 178.335 177.847 0.488 19486 5681 1 19 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.082 0.299 19486 5682 1 19 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.122 -0.255 19486 5683 1 19 . 1 1 48 48 LEU H H 48 7.582 7.582 7.494 0.088 19486 5684 1 19 . 1 1 49 49 THR N N 49 117.072 117.072 114.439 2.633 19486 5685 1 19 . 1 1 49 49 THR HA H 49 3.645 3.645 3.782 -0.137 19486 5686 1 19 . 1 1 49 49 THR C C 49 175.471 175.471 176.760 -1.289 19486 5687 1 19 . 1 1 49 49 THR CA C 49 67.720 67.720 67.389 0.331 19486 5688 1 19 . 1 1 49 49 THR CB C 49 68.791 68.791 68.344 0.447 19486 5689 1 19 . 1 1 49 49 THR H H 49 8.558 8.558 7.946 0.612 19486 5690 1 19 . 1 1 50 50 GLU N N 50 120.004 120.004 120.984 -0.980 19486 5691 1 19 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.947 -0.018 19486 5692 1 19 . 1 1 50 50 GLU C C 50 179.081 179.081 178.733 0.348 19486 5693 1 19 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.158 -0.028 19486 5694 1 19 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.664 0.020 19486 5695 1 19 . 1 1 50 50 GLU H H 50 7.966 7.966 7.760 0.206 19486 5696 1 19 . 1 1 51 51 HIS N N 51 117.288 117.288 118.862 -1.574 19486 5697 1 19 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.166 0.083 19486 5698 1 19 . 1 1 51 51 HIS C C 51 178.240 178.240 176.804 1.436 19486 5699 1 19 . 1 1 51 51 HIS CA C 51 58.486 58.486 59.059 -0.573 19486 5700 1 19 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.524 -1.460 19486 5701 1 19 . 1 1 51 51 HIS H H 51 7.377 7.377 7.659 -0.282 19486 5702 1 19 . 1 1 52 52 LYS N N 52 120.729 120.729 117.399 3.330 19486 5703 1 19 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.016 -0.338 19486 5704 1 19 . 1 1 52 52 LYS C C 52 178.361 178.361 178.893 -0.532 19486 5705 1 19 . 1 1 52 52 LYS CA C 52 60.653 60.653 58.872 1.781 19486 5706 1 19 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.206 0.254 19486 5707 1 19 . 1 1 52 52 LYS H H 52 8.572 8.572 8.017 0.555 19486 5708 1 19 . 1 1 53 53 VAL N N 53 112.220 112.220 115.330 -3.110 19486 5709 1 19 . 1 1 53 53 VAL HA H 53 4.099 4.099 3.957 0.142 19486 5710 1 19 . 1 1 53 53 VAL C C 53 175.078 175.078 177.239 -2.161 19486 5711 1 19 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.617 -1.177 19486 5712 1 19 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.576 -0.189 19486 5713 1 19 . 1 1 53 53 VAL H H 53 6.940 6.940 7.468 -0.528 19486 5714 1 19 . 1 1 54 54 THR N N 54 110.466 110.466 113.895 -3.429 19486 5715 1 19 . 1 1 54 54 THR HA H 54 4.135 4.135 4.315 -0.180 19486 5716 1 19 . 1 1 54 54 THR C C 54 171.847 171.847 174.484 -2.637 19486 5717 1 19 . 1 1 54 54 THR CA C 54 63.056 63.056 61.177 1.879 19486 5718 1 19 . 1 1 54 54 THR CB C 54 69.595 69.595 67.685 1.910 19486 5719 1 19 . 1 1 54 54 THR H H 54 7.581 7.581 7.591 -0.010 19486 5720 1 20 . 1 1 2 2 GLY N N 2 110.487 110.487 108.068 2.419 19486 5721 1 20 . 1 1 2 2 GLY C C 2 169.148 169.148 173.300 -4.152 19486 5722 1 20 . 1 1 2 2 GLY CA C 2 45.079 45.079 45.492 -0.413 19486 5723 1 20 . 1 1 2 2 GLY H H 2 8.216 8.216 8.686 -0.470 19486 5724 1 20 . 1 1 3 3 SER N N 3 114.424 114.424 114.009 0.415 19486 5725 1 20 . 1 1 3 3 SER HA H 3 4.357 4.357 5.061 -0.704 19486 5726 1 20 . 1 1 3 3 SER C C 3 169.812 169.812 173.145 -3.333 19486 5727 1 20 . 1 1 3 3 SER CA C 3 58.382 58.382 58.217 0.165 19486 5728 1 20 . 1 1 3 3 SER CB C 3 64.088 64.088 65.087 -0.999 19486 5729 1 20 . 1 1 3 3 SER H H 3 7.996 7.996 7.537 0.459 19486 5730 1 20 . 1 1 4 4 HIS N N 4 122.476 122.476 125.511 -3.035 19486 5731 1 20 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.864 -0.256 19486 5732 1 20 . 1 1 4 4 HIS C C 4 170.682 170.682 173.667 -2.985 19486 5733 1 20 . 1 1 4 4 HIS CA C 4 55.362 55.362 54.729 0.633 19486 5734 1 20 . 1 1 4 4 HIS CB C 4 30.816 30.816 33.484 -2.668 19486 5735 1 20 . 1 1 4 4 HIS H H 4 8.315 8.315 8.174 0.141 19486 5736 1 20 . 1 1 5 5 LYS N N 5 125.975 125.975 124.569 1.406 19486 5737 1 20 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.434 0.321 19486 5738 1 20 . 1 1 5 5 LYS C C 5 172.684 172.684 175.931 -3.247 19486 5739 1 20 . 1 1 5 5 LYS CA C 5 55.663 55.663 55.795 -0.132 19486 5740 1 20 . 1 1 5 5 LYS CB C 5 35.248 35.248 33.111 2.137 19486 5741 1 20 . 1 1 5 5 LYS H H 5 8.655 8.655 7.724 0.931 19486 5742 1 20 . 1 1 6 6 CYS N N 6 127.588 127.588 129.223 -1.635 19486 5743 1 20 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.740 -0.284 19486 5744 1 20 . 1 1 6 6 CYS C C 6 175.723 175.723 175.630 0.093 19486 5745 1 20 . 1 1 6 6 CYS CA C 6 60.218 60.218 57.803 2.414 19486 5746 1 20 . 1 1 6 6 CYS CB C 6 29.713 29.713 25.554 4.159 19486 5747 1 20 . 1 1 6 6 CYS H H 6 9.046 9.046 8.805 0.241 19486 5748 1 20 . 1 1 7 7 ASN N N 7 128.450 128.450 126.008 2.442 19486 5749 1 20 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.186 0.422 19486 5750 1 20 . 1 1 7 7 ASN C C 7 172.781 172.781 176.574 -3.793 19486 5751 1 20 . 1 1 7 7 ASN CA C 7 55.018 55.018 57.446 -2.428 19486 5752 1 20 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.190 -0.049 19486 5753 1 20 . 1 1 7 7 ASN H H 7 9.075 9.075 8.523 0.552 19486 5754 1 20 . 1 1 8 8 VAL N N 8 123.473 123.473 119.769 3.704 19486 5755 1 20 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.776 0.029 19486 5756 1 20 . 1 1 8 8 VAL C C 8 176.694 176.694 177.826 -1.132 19486 5757 1 20 . 1 1 8 8 VAL CA C 8 65.026 65.026 65.379 -0.353 19486 5758 1 20 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.468 1.494 19486 5759 1 20 . 1 1 8 8 VAL H H 8 9.223 9.223 8.372 0.851 19486 5760 1 20 . 1 1 9 9 CYS N N 9 118.379 118.379 117.330 1.049 19486 5761 1 20 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.322 0.837 19486 5762 1 20 . 1 1 9 9 CYS C C 9 173.754 173.754 175.625 -1.871 19486 5763 1 20 . 1 1 9 9 CYS CA C 9 58.452 58.452 60.200 -1.748 19486 5764 1 20 . 1 1 9 9 CYS CB C 9 32.344 32.344 27.214 5.130 19486 5765 1 20 . 1 1 9 9 CYS H H 9 8.457 8.457 8.595 -0.138 19486 5766 1 20 . 1 1 10 10 SER N N 10 114.054 114.054 110.074 3.980 19486 5767 1 20 . 1 1 10 10 SER HA H 10 4.260 4.260 4.134 0.126 19486 5768 1 20 . 1 1 10 10 SER C C 10 169.209 169.209 173.902 -4.693 19486 5769 1 20 . 1 1 10 10 SER CA C 10 61.286 61.286 59.825 1.461 19486 5770 1 20 . 1 1 10 10 SER CB C 10 62.173 62.173 62.050 0.123 19486 5771 1 20 . 1 1 10 10 SER H H 10 7.910 7.910 8.398 -0.488 19486 5772 1 20 . 1 1 11 11 ARG N N 11 122.514 122.514 120.305 2.209 19486 5773 1 20 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.809 -0.731 19486 5774 1 20 . 1 1 11 11 ARG C C 11 172.193 172.193 174.375 -2.182 19486 5775 1 20 . 1 1 11 11 ARG CA C 11 57.889 57.889 54.818 3.071 19486 5776 1 20 . 1 1 11 11 ARG CB C 11 31.569 31.569 33.684 -2.115 19486 5777 1 20 . 1 1 11 11 ARG H H 11 8.047 8.047 7.860 0.187 19486 5778 1 20 . 1 1 12 12 THR N N 12 111.399 111.399 114.091 -2.692 19486 5779 1 20 . 1 1 12 12 THR HA H 12 4.896 4.896 5.045 -0.149 19486 5780 1 20 . 1 1 12 12 THR C C 12 168.910 168.910 173.403 -4.493 19486 5781 1 20 . 1 1 12 12 THR CA C 12 60.396 60.396 60.343 0.053 19486 5782 1 20 . 1 1 12 12 THR CB C 12 71.239 71.239 70.523 0.716 19486 5783 1 20 . 1 1 12 12 THR H H 12 7.716 7.716 8.072 -0.356 19486 5784 1 20 . 1 1 13 13 PHE N N 13 118.814 118.814 123.018 -4.204 19486 5785 1 20 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.708 -0.268 19486 5786 1 20 . 1 1 13 13 PHE C C 13 173.256 173.256 176.549 -3.293 19486 5787 1 20 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.853 0.726 19486 5788 1 20 . 1 1 13 13 PHE CB C 13 43.109 43.109 41.083 2.026 19486 5789 1 20 . 1 1 13 13 PHE H H 13 8.527 8.527 9.054 -0.527 19486 5790 1 20 . 1 1 14 14 PHE N N 14 119.476 119.476 123.017 -3.541 19486 5791 1 20 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.197 0.603 19486 5792 1 20 . 1 1 14 14 PHE C C 14 173.255 173.255 175.441 -2.186 19486 5793 1 20 . 1 1 14 14 PHE CA C 14 59.206 59.206 60.466 -1.260 19486 5794 1 20 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.754 -0.318 19486 5795 1 20 . 1 1 14 14 PHE H H 14 8.975 8.975 8.843 0.132 19486 5796 1 20 . 1 1 15 15 SER N N 15 111.316 111.316 112.154 -0.838 19486 5797 1 20 . 1 1 15 15 SER HA H 15 4.573 4.573 4.627 -0.054 19486 5798 1 20 . 1 1 15 15 SER C C 15 169.172 169.172 174.650 -5.478 19486 5799 1 20 . 1 1 15 15 SER CA C 15 55.948 55.948 55.936 0.012 19486 5800 1 20 . 1 1 15 15 SER CB C 15 67.029 67.029 63.861 3.168 19486 5801 1 20 . 1 1 15 15 SER H H 15 7.813 7.813 8.056 -0.243 19486 5802 1 20 . 1 1 16 16 GLU N N 16 123.055 123.055 127.767 -4.712 19486 5803 1 20 . 1 1 16 16 GLU HA H 16 3.420 3.420 4.156 -0.736 19486 5804 1 20 . 1 1 16 16 GLU C C 16 179.932 179.932 177.972 1.960 19486 5805 1 20 . 1 1 16 16 GLU CA C 16 59.294 59.294 58.928 0.366 19486 5806 1 20 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.425 -0.387 19486 5807 1 20 . 1 1 16 16 GLU H H 16 8.755 8.755 8.999 -0.244 19486 5808 1 20 . 1 1 17 17 ASN N N 17 117.537 117.537 119.354 -1.817 19486 5809 1 20 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.543 -0.258 19486 5810 1 20 . 1 1 17 17 ASN C C 17 177.403 177.403 177.566 -0.163 19486 5811 1 20 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.408 1.036 19486 5812 1 20 . 1 1 17 17 ASN CB C 17 37.954 37.954 38.303 -0.349 19486 5813 1 20 . 1 1 17 17 ASN H H 17 8.548 8.548 8.016 0.532 19486 5814 1 20 . 1 1 18 18 GLY N N 18 108.587 108.587 107.849 0.738 19486 5815 1 20 . 1 1 18 18 GLY C C 18 175.491 175.491 176.192 -0.701 19486 5816 1 20 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.520 0.169 19486 5817 1 20 . 1 1 18 18 GLY H H 18 8.038 8.038 7.951 0.087 19486 5818 1 20 . 1 1 19 19 LEU N N 19 123.120 123.120 123.381 -0.261 19486 5819 1 20 . 1 1 19 19 LEU HA H 19 3.217 3.217 3.841 -0.624 19486 5820 1 20 . 1 1 19 19 LEU C C 19 176.975 176.975 178.416 -1.441 19486 5821 1 20 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.619 0.155 19486 5822 1 20 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.686 -0.791 19486 5823 1 20 . 1 1 19 19 LEU H H 19 7.240 7.240 7.890 -0.650 19486 5824 1 20 . 1 1 20 20 ARG N N 20 119.506 119.506 118.257 1.249 19486 5825 1 20 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.896 -0.112 19486 5826 1 20 . 1 1 20 20 ARG C C 20 181.705 181.705 178.826 2.879 19486 5827 1 20 . 1 1 20 20 ARG CA C 20 60.383 60.383 59.944 0.439 19486 5828 1 20 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.959 -0.031 19486 5829 1 20 . 1 1 20 20 ARG H H 20 8.426 8.426 8.001 0.425 19486 5830 1 20 . 1 1 21 21 GLU N N 21 117.954 117.954 118.370 -0.416 19486 5831 1 20 . 1 1 21 21 GLU HA H 21 3.940 3.940 3.960 -0.020 19486 5832 1 20 . 1 1 21 21 GLU C C 21 180.973 180.973 177.490 3.483 19486 5833 1 20 . 1 1 21 21 GLU CA C 21 59.155 59.155 59.105 0.049 19486 5834 1 20 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.669 -0.047 19486 5835 1 20 . 1 1 21 21 GLU H H 21 7.961 7.961 7.971 -0.010 19486 5836 1 20 . 1 1 22 22 HIS N N 22 119.084 119.084 116.943 2.141 19486 5837 1 20 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.199 0.037 19486 5838 1 20 . 1 1 22 22 HIS C C 22 179.182 179.182 177.062 2.120 19486 5839 1 20 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.297 0.563 19486 5840 1 20 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.584 -1.325 19486 5841 1 20 . 1 1 22 22 HIS H H 22 7.434 7.434 7.579 -0.145 19486 5842 1 20 . 1 1 23 23 LEU N N 23 122.153 122.153 120.302 1.851 19486 5843 1 20 . 1 1 23 23 LEU HA H 23 3.765 3.765 3.891 -0.126 19486 5844 1 20 . 1 1 23 23 LEU C C 23 181.265 181.265 179.101 2.164 19486 5845 1 20 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.598 0.989 19486 5846 1 20 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.782 0.058 19486 5847 1 20 . 1 1 23 23 LEU H H 23 8.835 8.835 8.026 0.809 19486 5848 1 20 . 1 1 24 24 GLN N N 24 115.740 115.740 116.381 -0.641 19486 5849 1 20 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.025 -0.017 19486 5850 1 20 . 1 1 24 24 GLN C C 24 178.454 178.454 177.810 0.644 19486 5851 1 20 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.441 -0.471 19486 5852 1 20 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.494 -0.062 19486 5853 1 20 . 1 1 24 24 GLN H H 24 7.142 7.142 7.830 -0.688 19486 5854 1 20 . 1 1 25 25 THR N N 25 109.376 109.376 111.248 -1.872 19486 5855 1 20 . 1 1 25 25 THR HA H 25 4.129 4.129 4.032 0.097 19486 5856 1 20 . 1 1 25 25 THR C C 25 173.471 173.471 176.204 -2.733 19486 5857 1 20 . 1 1 25 25 THR CA C 25 63.754 63.754 64.521 -0.767 19486 5858 1 20 . 1 1 25 25 THR CB C 25 69.467 69.467 68.338 1.129 19486 5859 1 20 . 1 1 25 25 THR H H 25 7.801 7.801 7.420 0.381 19486 5860 1 20 . 1 1 26 26 HIS N N 26 118.158 118.158 120.049 -1.891 19486 5861 1 20 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.562 0.329 19486 5862 1 20 . 1 1 26 26 HIS C C 26 171.847 171.847 176.368 -4.521 19486 5863 1 20 . 1 1 26 26 HIS CA C 26 55.083 55.083 58.224 -3.141 19486 5864 1 20 . 1 1 26 26 HIS CB C 26 28.686 28.686 29.663 -0.977 19486 5865 1 20 . 1 1 26 26 HIS H H 26 7.095 7.095 7.405 -0.310 19486 5866 1 20 . 1 1 27 27 ARG N N 27 120.083 120.083 120.253 -0.170 19486 5867 1 20 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.338 0.062 19486 5868 1 20 . 1 1 27 27 ARG C C 27 175.194 175.194 176.490 -1.296 19486 5869 1 20 . 1 1 27 27 ARG CA C 27 56.387 56.387 56.463 -0.076 19486 5870 1 20 . 1 1 27 27 ARG CB C 27 31.260 31.260 32.065 -0.805 19486 5871 1 20 . 1 1 27 27 ARG H H 27 7.630 7.630 7.710 -0.080 19486 5872 1 20 . 1 1 28 28 GLY N N 28 109.773 109.773 107.406 2.367 19486 5873 1 20 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.063 0.569 19486 5874 1 20 . 1 1 28 28 GLY H H 28 8.217 8.217 7.763 0.454 19486 5875 1 20 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.461 -0.074 19486 5876 1 20 . 1 1 29 29 PRO C C 29 176.069 176.069 177.152 -1.083 19486 5877 1 20 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.523 0.507 19486 5878 1 20 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.448 -0.221 19486 5879 1 20 . 1 1 30 30 ALA N N 30 124.277 124.277 124.241 0.036 19486 5880 1 20 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.394 -0.203 19486 5881 1 20 . 1 1 30 30 ALA C C 30 177.466 177.466 176.438 1.028 19486 5882 1 20 . 1 1 30 30 ALA CA C 30 52.423 52.423 52.134 0.289 19486 5883 1 20 . 1 1 30 30 ALA CB C 30 19.185 19.185 17.470 1.715 19486 5884 1 20 . 1 1 30 30 ALA H H 30 8.312 8.312 8.711 -0.399 19486 5885 1 20 . 1 1 31 31 LYS N N 31 120.503 120.503 119.733 0.770 19486 5886 1 20 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.784 -0.631 19486 5887 1 20 . 1 1 31 31 LYS C C 31 173.444 173.444 175.574 -2.130 19486 5888 1 20 . 1 1 31 31 LYS CA C 31 55.970 55.970 55.415 0.555 19486 5889 1 20 . 1 1 31 31 LYS CB C 31 33.189 33.189 36.117 -2.928 19486 5890 1 20 . 1 1 31 31 LYS H H 31 8.160 8.160 8.078 0.082 19486 5891 1 20 . 1 1 32 32 HIS N N 32 118.745 118.745 120.135 -1.390 19486 5892 1 20 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.260 0.382 19486 5893 1 20 . 1 1 32 32 HIS C C 32 171.199 171.199 173.371 -2.172 19486 5894 1 20 . 1 1 32 32 HIS CA C 32 55.641 55.641 57.199 -1.558 19486 5895 1 20 . 1 1 32 32 HIS CB C 32 32.293 32.293 28.222 4.071 19486 5896 1 20 . 1 1 32 32 HIS H H 32 7.888 7.888 8.699 -0.811 19486 5897 1 20 . 1 1 33 33 TYR N N 33 120.158 120.158 122.586 -2.428 19486 5898 1 20 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.745 -0.201 19486 5899 1 20 . 1 1 33 33 TYR C C 33 172.174 172.174 174.157 -1.983 19486 5900 1 20 . 1 1 33 33 TYR CA C 33 57.776 57.776 57.214 0.562 19486 5901 1 20 . 1 1 33 33 TYR CB C 33 39.394 39.394 40.237 -0.843 19486 5902 1 20 . 1 1 33 33 TYR H H 33 8.672 8.672 8.230 0.442 19486 5903 1 20 . 1 1 34 34 MET N N 34 123.629 123.629 124.644 -1.015 19486 5904 1 20 . 1 1 34 34 MET HA H 34 5.113 5.113 4.906 0.207 19486 5905 1 20 . 1 1 34 34 MET C C 34 172.661 172.661 175.876 -3.215 19486 5906 1 20 . 1 1 34 34 MET CA C 34 54.285 54.285 54.356 -0.071 19486 5907 1 20 . 1 1 34 34 MET CB C 34 35.606 35.606 34.500 1.106 19486 5908 1 20 . 1 1 34 34 MET H H 34 8.770 8.770 8.356 0.414 19486 5909 1 20 . 1 1 35 35 CYS N N 35 128.648 128.648 127.683 0.965 19486 5910 1 20 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.821 -0.007 19486 5911 1 20 . 1 1 35 35 CYS CA C 35 57.229 57.229 56.783 0.446 19486 5912 1 20 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.481 2.932 19486 5913 1 20 . 1 1 35 35 CYS H H 35 9.412 9.412 8.770 0.642 19486 5914 1 20 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.392 0.135 19486 5915 1 20 . 1 1 36 36 PRO C C 36 175.359 175.359 177.184 -1.825 19486 5916 1 20 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.068 -0.938 19486 5917 1 20 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.996 0.331 19486 5918 1 20 . 1 1 37 37 ILE N N 37 121.680 121.680 118.467 3.213 19486 5919 1 20 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.908 -0.002 19486 5920 1 20 . 1 1 37 37 ILE C C 37 176.316 176.316 177.663 -1.347 19486 5921 1 20 . 1 1 37 37 ILE CA C 37 63.160 63.160 63.037 0.123 19486 5922 1 20 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.201 0.132 19486 5923 1 20 . 1 1 37 37 ILE H H 37 8.802 8.802 7.920 0.882 19486 5924 1 20 . 1 1 38 38 CYS N N 38 115.962 115.962 115.484 0.478 19486 5925 1 20 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.835 0.302 19486 5926 1 20 . 1 1 38 38 CYS C C 38 175.994 175.994 175.660 0.334 19486 5927 1 20 . 1 1 38 38 CYS CA C 38 58.260 58.260 58.386 -0.126 19486 5928 1 20 . 1 1 38 38 CYS CB C 38 32.806 32.806 30.468 2.338 19486 5929 1 20 . 1 1 38 38 CYS H H 38 8.070 8.070 8.257 -0.187 19486 5930 1 20 . 1 1 39 39 GLY N N 39 113.286 113.286 111.498 1.788 19486 5931 1 20 . 1 1 39 39 GLY C C 39 169.495 169.495 174.252 -4.757 19486 5932 1 20 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.055 1.391 19486 5933 1 20 . 1 1 39 39 GLY H H 39 8.113 8.113 8.568 -0.455 19486 5934 1 20 . 1 1 40 40 GLU N N 40 122.500 122.500 118.911 3.589 19486 5935 1 20 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.352 -0.324 19486 5936 1 20 . 1 1 40 40 GLU C C 40 171.486 171.486 175.237 -3.751 19486 5937 1 20 . 1 1 40 40 GLU CA C 40 57.719 57.719 54.684 3.035 19486 5938 1 20 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.847 -0.413 19486 5939 1 20 . 1 1 40 40 GLU H H 40 8.119 8.119 8.469 -0.350 19486 5940 1 20 . 1 1 41 41 ARG N N 41 120.904 120.904 120.194 0.710 19486 5941 1 20 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.145 0.793 19486 5942 1 20 . 1 1 41 41 ARG C C 41 173.428 173.428 175.585 -2.157 19486 5943 1 20 . 1 1 41 41 ARG CA C 41 55.153 55.153 56.443 -1.290 19486 5944 1 20 . 1 1 41 41 ARG CB C 41 32.810 32.810 31.053 1.757 19486 5945 1 20 . 1 1 41 41 ARG H H 41 8.051 8.051 8.469 -0.418 19486 5946 1 20 . 1 1 42 42 PHE N N 42 119.481 119.481 121.717 -2.236 19486 5947 1 20 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.970 -0.282 19486 5948 1 20 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.108 1.629 19486 5949 1 20 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.231 0.745 19486 5950 1 20 . 1 1 42 42 PHE H H 42 8.856 8.856 8.549 0.307 19486 5951 1 20 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.480 0.309 19486 5952 1 20 . 1 1 43 43 PRO C C 43 174.319 174.319 176.482 -2.163 19486 5953 1 20 . 1 1 43 43 PRO CA C 43 63.666 63.666 64.515 -0.849 19486 5954 1 20 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.092 0.711 19486 5955 1 20 . 1 1 44 44 SER N N 44 110.500 110.500 112.731 -2.231 19486 5956 1 20 . 1 1 44 44 SER HA H 44 4.601 4.601 4.764 -0.163 19486 5957 1 20 . 1 1 44 44 SER C C 44 166.956 166.956 172.423 -5.467 19486 5958 1 20 . 1 1 44 44 SER CA C 44 55.700 55.700 57.132 -1.432 19486 5959 1 20 . 1 1 44 44 SER CB C 44 67.018 67.018 64.984 2.034 19486 5960 1 20 . 1 1 44 44 SER H H 44 7.246 7.246 7.746 -0.500 19486 5961 1 20 . 1 1 45 45 LEU N N 45 122.780 122.780 122.538 0.242 19486 5962 1 20 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.273 -0.768 19486 5963 1 20 . 1 1 45 45 LEU C C 45 181.968 181.968 175.245 6.723 19486 5964 1 20 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.057 3.215 19486 5965 1 20 . 1 1 45 45 LEU CB C 45 41.177 41.177 39.260 1.917 19486 5966 1 20 . 1 1 45 45 LEU H H 45 8.272 8.272 8.122 0.150 19486 5967 1 20 . 1 1 46 46 LEU N N 46 121.552 121.552 119.929 1.623 19486 5968 1 20 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.453 -0.419 19486 5969 1 20 . 1 1 46 46 LEU C C 46 180.359 180.359 177.852 2.507 19486 5970 1 20 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.942 1.694 19486 5971 1 20 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.445 -1.330 19486 5972 1 20 . 1 1 46 46 LEU H H 46 8.289 8.289 7.735 0.554 19486 5973 1 20 . 1 1 47 47 THR N N 47 109.081 109.081 115.391 -6.310 19486 5974 1 20 . 1 1 47 47 THR HA H 47 3.980 3.980 4.326 -0.346 19486 5975 1 20 . 1 1 47 47 THR C C 47 179.649 179.649 176.346 3.303 19486 5976 1 20 . 1 1 47 47 THR CA C 47 65.057 65.057 65.228 -0.171 19486 5977 1 20 . 1 1 47 47 THR CB C 47 69.160 69.160 69.057 0.103 19486 5978 1 20 . 1 1 47 47 THR H H 47 7.456 7.456 7.614 -0.158 19486 5979 1 20 . 1 1 48 48 LEU N N 48 124.194 124.194 121.976 2.218 19486 5980 1 20 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.324 -0.055 19486 5981 1 20 . 1 1 48 48 LEU C C 48 178.335 178.335 177.939 0.396 19486 5982 1 20 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.089 0.292 19486 5983 1 20 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.093 -0.226 19486 5984 1 20 . 1 1 48 48 LEU H H 48 7.582 7.582 7.486 0.096 19486 5985 1 20 . 1 1 49 49 THR N N 49 117.072 117.072 114.723 2.349 19486 5986 1 20 . 1 1 49 49 THR HA H 49 3.645 3.645 3.852 -0.207 19486 5987 1 20 . 1 1 49 49 THR C C 49 175.471 175.471 176.739 -1.268 19486 5988 1 20 . 1 1 49 49 THR CA C 49 67.720 67.720 67.116 0.604 19486 5989 1 20 . 1 1 49 49 THR CB C 49 68.791 68.791 68.211 0.580 19486 5990 1 20 . 1 1 49 49 THR H H 49 8.558 8.558 7.999 0.559 19486 5991 1 20 . 1 1 50 50 GLU N N 50 120.004 120.004 120.425 -0.421 19486 5992 1 20 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.935 -0.006 19486 5993 1 20 . 1 1 50 50 GLU C C 50 179.081 179.081 178.331 0.750 19486 5994 1 20 . 1 1 50 50 GLU CA C 50 59.130 59.130 58.971 0.159 19486 5995 1 20 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.495 0.189 19486 5996 1 20 . 1 1 50 50 GLU H H 50 7.966 7.966 7.596 0.370 19486 5997 1 20 . 1 1 51 51 HIS N N 51 117.288 117.288 118.328 -1.040 19486 5998 1 20 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.148 0.101 19486 5999 1 20 . 1 1 51 51 HIS C C 51 178.240 178.240 176.858 1.382 19486 6000 1 20 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.925 -0.439 19486 6001 1 20 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.738 -1.674 19486 6002 1 20 . 1 1 51 51 HIS H H 51 7.377 7.377 7.729 -0.352 19486 6003 1 20 . 1 1 52 52 LYS N N 52 120.729 120.729 119.090 1.639 19486 6004 1 20 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.027 -0.349 19486 6005 1 20 . 1 1 52 52 LYS C C 52 178.361 178.361 178.688 -0.327 19486 6006 1 20 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.182 1.471 19486 6007 1 20 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.350 0.110 19486 6008 1 20 . 1 1 52 52 LYS H H 52 8.572 8.572 7.729 0.843 19486 6009 1 20 . 1 1 53 53 VAL N N 53 112.220 112.220 116.346 -4.126 19486 6010 1 20 . 1 1 53 53 VAL HA H 53 4.099 4.099 3.877 0.222 19486 6011 1 20 . 1 1 53 53 VAL C C 53 175.078 175.078 177.042 -1.964 19486 6012 1 20 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.986 -1.546 19486 6013 1 20 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.526 -0.139 19486 6014 1 20 . 1 1 53 53 VAL H H 53 6.940 6.940 7.940 -1.000 19486 6015 1 20 . 1 1 54 54 THR N N 54 110.466 110.466 110.094 0.372 19486 6016 1 20 . 1 1 54 54 THR HA H 54 4.135 4.135 4.321 -0.186 19486 6017 1 20 . 1 1 54 54 THR C C 54 171.847 171.847 174.895 -3.048 19486 6018 1 20 . 1 1 54 54 THR CA C 54 63.056 63.056 61.788 1.268 19486 6019 1 20 . 1 1 54 54 THR CB C 54 69.595 69.595 70.309 -0.715 19486 6020 1 20 . 1 1 54 54 THR H H 54 7.581 7.581 7.533 0.048 19486 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 50 2.491 0.100 2.514 19486 2 1 1 "Average Difference" HA 57 0.315 0.096 0.303 19486 3 1 1 "Average Difference" C 50 2.826 1.263 2.554 19486 4 1 1 "Average Difference" CA 53 1.062 -0.212 1.050 19486 5 1 1 "Average Difference" CB 49 1.521 -0.558 1.430 19486 6 1 1 "Average Difference" HN 50 0.519 -0.033 0.523 19486 7 1 2 "Average Difference" N 50 3.025 -0.453 3.021 19486 8 1 2 "Average Difference" HA 57 0.341 0.093 0.331 19486 9 1 2 "Average Difference" C 50 2.807 1.247 2.540 19486 10 1 2 "Average Difference" CA 53 1.010 -0.159 1.007 19486 11 1 2 "Average Difference" CB 49 1.454 -0.482 1.386 19486 12 1 2 "Average Difference" HN 50 0.481 -0.032 0.485 19486 13 1 3 "Average Difference" N 50 2.547 -0.155 2.569 19486 14 1 3 "Average Difference" HA 57 0.372 0.074 0.368 19486 15 1 3 "Average Difference" C 50 2.874 1.188 2.644 19486 16 1 3 "Average Difference" CA 53 1.152 -0.378 1.099 19486 17 1 3 "Average Difference" CB 49 1.273 -0.443 1.206 19486 18 1 3 "Average Difference" HN 50 0.533 -0.129 0.523 19486 19 1 4 "Average Difference" N 50 2.685 0.313 2.693 19486 20 1 4 "Average Difference" HA 57 0.361 0.059 0.359 19486 21 1 4 "Average Difference" C 50 2.932 1.242 2.683 19486 22 1 4 "Average Difference" CA 53 1.126 -0.333 1.086 19486 23 1 4 "Average Difference" CB 49 1.599 -0.678 1.463 19486 24 1 4 "Average Difference" HN 50 0.527 -0.126 0.517 19486 25 1 5 "Average Difference" N 50 2.636 0.326 2.643 19486 26 1 5 "Average Difference" HA 57 0.364 0.103 0.352 19486 27 1 5 "Average Difference" C 50 2.881 1.235 2.630 19486 28 1 5 "Average Difference" CA 53 1.081 -0.444 0.996 19486 29 1 5 "Average Difference" CB 49 1.584 -0.626 1.471 19486 30 1 5 "Average Difference" HN 50 0.496 -0.090 0.493 19486 31 1 6 "Average Difference" N 50 2.891 0.135 2.918 19486 32 1 6 "Average Difference" HA 57 0.302 0.051 0.300 19486 33 1 6 "Average Difference" C 50 2.969 1.237 2.726 19486 34 1 6 "Average Difference" CA 53 1.106 -0.418 1.034 19486 35 1 6 "Average Difference" CB 49 1.593 -0.724 1.434 19486 36 1 6 "Average Difference" HN 50 0.513 -0.118 0.504 19486 37 1 7 "Average Difference" N 50 2.453 0.256 2.464 19486 38 1 7 "Average Difference" HA 57 0.387 0.077 0.382 19486 39 1 7 "Average Difference" C 50 2.819 1.119 2.614 19486 40 1 7 "Average Difference" CA 53 1.184 -0.199 1.178 19486 41 1 7 "Average Difference" CB 49 1.470 -0.501 1.397 19486 42 1 7 "Average Difference" HN 50 0.477 -0.070 0.477 19486 43 1 8 "Average Difference" N 50 2.668 0.283 2.680 19486 44 1 8 "Average Difference" HA 57 0.307 0.070 0.301 19486 45 1 8 "Average Difference" C 50 3.012 1.278 2.755 19486 46 1 8 "Average Difference" CA 53 1.204 -0.455 1.126 19486 47 1 8 "Average Difference" CB 49 1.748 -0.759 1.591 19486 48 1 8 "Average Difference" HN 50 0.506 -0.092 0.503 19486 49 1 9 "Average Difference" N 50 2.487 -0.011 2.512 19486 50 1 9 "Average Difference" HA 57 0.320 0.078 0.313 19486 51 1 9 "Average Difference" C 50 2.868 1.234 2.615 19486 52 1 9 "Average Difference" CA 53 1.102 -0.193 1.095 19486 53 1 9 "Average Difference" CB 49 1.566 -0.539 1.486 19486 54 1 9 "Average Difference" HN 50 0.467 -0.053 0.468 19486 55 1 10 "Average Difference" N 50 2.472 -0.147 2.492 19486 56 1 10 "Average Difference" HA 57 0.357 0.058 0.355 19486 57 1 10 "Average Difference" C 50 3.008 1.305 2.738 19486 58 1 10 "Average Difference" CA 53 1.174 -0.273 1.153 19486 59 1 10 "Average Difference" CB 49 1.499 -0.407 1.458 19486 60 1 10 "Average Difference" HN 50 0.511 -0.112 0.503 19486 61 1 11 "Average Difference" N 50 2.551 -0.076 2.575 19486 62 1 11 "Average Difference" HA 57 0.351 0.067 0.347 19486 63 1 11 "Average Difference" C 50 2.930 1.300 2.652 19486 64 1 11 "Average Difference" CA 53 1.179 -0.396 1.121 19486 65 1 11 "Average Difference" CB 49 1.547 -0.561 1.457 19486 66 1 11 "Average Difference" HN 50 0.492 -0.118 0.482 19486 67 1 12 "Average Difference" N 50 2.588 0.182 2.607 19486 68 1 12 "Average Difference" HA 57 0.354 0.070 0.350 19486 69 1 12 "Average Difference" C 50 2.889 1.319 2.596 19486 70 1 12 "Average Difference" CA 53 1.140 -0.312 1.107 19486 71 1 12 "Average Difference" CB 49 1.450 -0.517 1.369 19486 72 1 12 "Average Difference" HN 50 0.431 -0.089 0.426 19486 73 1 13 "Average Difference" N 50 3.055 0.318 3.069 19486 74 1 13 "Average Difference" HA 57 0.324 0.073 0.318 19486 75 1 13 "Average Difference" C 50 3.047 1.385 2.741 19486 76 1 13 "Average Difference" CA 53 1.152 -0.259 1.133 19486 77 1 13 "Average Difference" CB 49 1.642 -0.682 1.509 19486 78 1 13 "Average Difference" HN 50 0.493 -0.053 0.495 19486 79 1 14 "Average Difference" N 50 2.776 -0.368 2.779 19486 80 1 14 "Average Difference" HA 57 0.346 0.058 0.344 19486 81 1 14 "Average Difference" C 50 2.888 1.288 2.611 19486 82 1 14 "Average Difference" CA 53 1.115 -0.155 1.115 19486 83 1 14 "Average Difference" CB 49 1.632 -0.659 1.509 19486 84 1 14 "Average Difference" HN 50 0.530 -0.062 0.531 19486 85 1 15 "Average Difference" N 50 2.799 0.354 2.804 19486 86 1 15 "Average Difference" HA 57 0.344 0.090 0.335 19486 87 1 15 "Average Difference" C 50 2.887 1.186 2.659 19486 88 1 15 "Average Difference" CA 53 1.149 -0.354 1.103 19486 89 1 15 "Average Difference" CB 49 1.413 -0.376 1.376 19486 90 1 15 "Average Difference" HN 50 0.503 -0.100 0.498 19486 91 1 16 "Average Difference" N 50 2.870 0.229 2.890 19486 92 1 16 "Average Difference" HA 57 0.356 0.056 0.355 19486 93 1 16 "Average Difference" C 50 2.834 1.241 2.573 19486 94 1 16 "Average Difference" CA 53 1.177 -0.394 1.120 19486 95 1 16 "Average Difference" CB 49 1.553 -0.660 1.420 19486 96 1 16 "Average Difference" HN 50 0.530 -0.038 0.534 19486 97 1 17 "Average Difference" N 50 2.346 -0.435 2.329 19486 98 1 17 "Average Difference" HA 57 0.396 0.071 0.393 19486 99 1 17 "Average Difference" C 50 2.761 1.148 2.536 19486 100 1 17 "Average Difference" CA 53 1.203 -0.383 1.151 19486 101 1 17 "Average Difference" CB 49 1.351 -0.582 1.232 19486 102 1 17 "Average Difference" HN 50 0.496 -0.136 0.482 19486 103 1 18 "Average Difference" N 50 2.722 0.325 2.730 19486 104 1 18 "Average Difference" HA 57 0.310 0.083 0.301 19486 105 1 18 "Average Difference" C 50 3.063 1.426 2.738 19486 106 1 18 "Average Difference" CA 53 1.279 -0.352 1.241 19486 107 1 18 "Average Difference" CB 49 1.404 -0.678 1.242 19486 108 1 18 "Average Difference" HN 50 0.487 -0.027 0.491 19486 109 1 19 "Average Difference" N 50 2.834 0.100 2.861 19486 110 1 19 "Average Difference" HA 57 0.352 0.087 0.344 19486 111 1 19 "Average Difference" C 50 2.903 1.289 2.627 19486 112 1 19 "Average Difference" CA 53 1.112 -0.259 1.092 19486 113 1 19 "Average Difference" CB 49 1.408 -0.593 1.290 19486 114 1 19 "Average Difference" HN 50 0.458 -0.045 0.461 19486 115 1 20 "Average Difference" N 50 2.324 0.059 2.347 19486 116 1 20 "Average Difference" HA 57 0.348 0.047 0.348 19486 117 1 20 "Average Difference" C 50 2.872 1.252 2.611 19486 118 1 20 "Average Difference" CA 53 1.272 -0.206 1.267 19486 119 1 20 "Average Difference" CB 49 1.722 -0.439 1.682 19486 120 1 20 "Average Difference" HN 50 0.483 -0.052 0.485 19486 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 19486 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY N N 2 110.487 110.487 110.552 -0.065 19486 2 1 . 1 1 2 2 GLY C C 2 169.148 169.148 173.533 -4.385 19486 3 1 . 1 1 2 2 GLY CA C 2 45.079 45.079 44.991 0.088 19486 4 1 . 1 1 2 2 GLY H H 2 8.216 8.216 8.512 -0.296 19486 5 1 . 1 1 3 3 SER N N 3 114.424 114.424 117.312 -2.888 19486 6 1 . 1 1 3 3 SER HA H 3 4.357 4.357 4.677 -0.320 19486 7 1 . 1 1 3 3 SER C C 3 169.812 169.812 173.504 -3.692 19486 8 1 . 1 1 3 3 SER CA C 3 58.382 58.382 57.968 0.414 19486 9 1 . 1 1 3 3 SER CB C 3 64.088 64.088 64.128 -0.040 19486 10 1 . 1 1 3 3 SER H H 3 7.996 7.996 8.146 -0.150 19486 11 1 . 1 1 4 4 HIS N N 4 122.476 122.476 125.370 -2.894 19486 12 1 . 1 1 4 4 HIS HA H 4 4.608 4.608 4.572 0.036 19486 13 1 . 1 1 4 4 HIS C C 4 170.682 170.682 173.633 -2.951 19486 14 1 . 1 1 4 4 HIS CA C 4 55.362 55.362 55.764 -0.402 19486 15 1 . 1 1 4 4 HIS CB C 4 30.816 30.816 30.314 0.502 19486 16 1 . 1 1 4 4 HIS H H 4 8.315 8.315 8.412 -0.097 19486 17 1 . 1 1 5 5 LYS N N 5 125.975 125.975 123.073 2.902 19486 18 1 . 1 1 5 5 LYS HA H 5 4.755 4.755 4.567 0.188 19486 19 1 . 1 1 5 5 LYS C C 5 172.684 172.684 175.696 -3.012 19486 20 1 . 1 1 5 5 LYS CA C 5 55.663 55.663 55.088 0.575 19486 21 1 . 1 1 5 5 LYS CB C 5 35.248 35.248 34.458 0.790 19486 22 1 . 1 1 5 5 LYS H H 5 8.655 8.655 7.917 0.738 19486 23 1 . 1 1 6 6 CYS N N 6 127.588 127.588 127.359 0.229 19486 24 1 . 1 1 6 6 CYS HA H 6 4.456 4.456 4.624 -0.168 19486 25 1 . 1 1 6 6 CYS C C 6 175.723 175.723 175.713 0.010 19486 26 1 . 1 1 6 6 CYS CA C 6 60.218 60.218 58.446 1.772 19486 27 1 . 1 1 6 6 CYS CB C 6 29.713 29.713 26.296 3.417 19486 28 1 . 1 1 6 6 CYS H H 6 9.046 9.046 8.835 0.211 19486 29 1 . 1 1 7 7 ASN N N 7 128.450 128.450 125.623 2.827 19486 30 1 . 1 1 7 7 ASN HA H 7 4.608 4.608 4.383 0.225 19486 31 1 . 1 1 7 7 ASN C C 7 172.781 172.781 176.224 -3.442 19486 32 1 . 1 1 7 7 ASN CA C 7 55.018 55.018 56.134 -1.116 19486 33 1 . 1 1 7 7 ASN CB C 7 38.141 38.141 38.058 0.083 19486 34 1 . 1 1 7 7 ASN H H 7 9.075 9.075 8.754 0.321 19486 35 1 . 1 1 8 8 VAL N N 8 123.473 123.473 118.930 4.543 19486 36 1 . 1 1 8 8 VAL HA H 8 3.805 3.805 3.723 0.082 19486 37 1 . 1 1 8 8 VAL C C 8 176.694 176.694 177.257 -0.563 19486 38 1 . 1 1 8 8 VAL CA C 8 65.026 65.026 64.876 0.150 19486 39 1 . 1 1 8 8 VAL CB C 8 32.962 32.962 31.395 1.567 19486 40 1 . 1 1 8 8 VAL H H 8 9.223 9.223 8.144 1.079 19486 41 1 . 1 1 9 9 CYS N N 9 118.379 118.379 115.965 2.414 19486 42 1 . 1 1 9 9 CYS HA H 9 5.159 5.159 4.529 0.630 19486 43 1 . 1 1 9 9 CYS C C 9 173.754 173.754 175.363 -1.609 19486 44 1 . 1 1 9 9 CYS CA C 9 58.452 58.452 59.494 -1.042 19486 45 1 . 1 1 9 9 CYS CB C 9 32.344 32.344 28.078 4.266 19486 46 1 . 1 1 9 9 CYS H H 9 8.457 8.457 8.090 0.367 19486 47 1 . 1 1 10 10 SER N N 10 114.054 114.054 111.429 2.625 19486 48 1 . 1 1 10 10 SER HA H 10 4.260 4.260 4.135 0.125 19486 49 1 . 1 1 10 10 SER C C 10 169.209 169.209 173.867 -4.658 19486 50 1 . 1 1 10 10 SER CA C 10 61.286 61.286 59.837 1.449 19486 51 1 . 1 1 10 10 SER CB C 10 62.173 62.173 62.042 0.131 19486 52 1 . 1 1 10 10 SER H H 10 7.910 7.910 8.469 -0.559 19486 53 1 . 1 1 11 11 ARG N N 11 122.514 122.514 119.924 2.590 19486 54 1 . 1 1 11 11 ARG HA H 11 4.078 4.078 4.637 -0.559 19486 55 1 . 1 1 11 11 ARG C C 11 172.193 172.193 175.192 -2.999 19486 56 1 . 1 1 11 11 ARG CA C 11 57.889 57.889 55.051 2.838 19486 57 1 . 1 1 11 11 ARG CB C 11 31.569 31.569 31.947 -0.378 19486 58 1 . 1 1 11 11 ARG H H 11 8.047 8.047 7.824 0.223 19486 59 1 . 1 1 12 12 THR N N 12 111.399 111.399 113.121 -1.722 19486 60 1 . 1 1 12 12 THR HA H 12 4.896 4.896 4.591 0.305 19486 61 1 . 1 1 12 12 THR C C 12 168.910 168.910 173.475 -4.565 19486 62 1 . 1 1 12 12 THR CA C 12 60.396 60.396 60.589 -0.193 19486 63 1 . 1 1 12 12 THR CB C 12 71.239 71.239 70.221 1.018 19486 64 1 . 1 1 12 12 THR H H 12 7.716 7.716 8.005 -0.289 19486 65 1 . 1 1 13 13 PHE N N 13 118.814 118.814 122.641 -3.827 19486 66 1 . 1 1 13 13 PHE HA H 13 4.440 4.440 4.645 -0.205 19486 67 1 . 1 1 13 13 PHE C C 13 173.256 173.256 175.006 -1.750 19486 68 1 . 1 1 13 13 PHE CA C 13 57.579 57.579 56.679 0.900 19486 69 1 . 1 1 13 13 PHE CB C 13 43.109 43.109 40.272 2.837 19486 70 1 . 1 1 13 13 PHE H H 13 8.527 8.527 8.489 0.038 19486 71 1 . 1 1 14 14 PHE N N 14 119.476 119.476 120.897 -1.421 19486 72 1 . 1 1 14 14 PHE HA H 14 4.800 4.800 4.446 0.354 19486 73 1 . 1 1 14 14 PHE C C 14 173.255 173.255 175.356 -2.101 19486 74 1 . 1 1 14 14 PHE CA C 14 59.206 59.206 59.341 -0.135 19486 75 1 . 1 1 14 14 PHE CB C 14 39.436 39.436 39.415 0.021 19486 76 1 . 1 1 14 14 PHE H H 14 8.975 8.975 8.390 0.585 19486 77 1 . 1 1 15 15 SER N N 15 111.316 111.316 113.902 -2.587 19486 78 1 . 1 1 15 15 SER HA H 15 4.573 4.573 4.754 -0.181 19486 79 1 . 1 1 15 15 SER C C 15 169.172 169.172 174.963 -5.791 19486 80 1 . 1 1 15 15 SER CA C 15 55.948 55.948 56.706 -0.758 19486 81 1 . 1 1 15 15 SER CB C 15 67.029 67.029 65.431 1.598 19486 82 1 . 1 1 15 15 SER H H 15 7.813 7.813 8.002 -0.189 19486 83 1 . 1 1 16 16 GLU N N 16 123.055 123.055 123.842 -0.787 19486 84 1 . 1 1 16 16 GLU HA H 16 3.420 3.420 3.980 -0.560 19486 85 1 . 1 1 16 16 GLU C C 16 179.932 179.932 177.899 2.033 19486 86 1 . 1 1 16 16 GLU CA C 16 59.294 59.294 59.488 -0.194 19486 87 1 . 1 1 16 16 GLU CB C 16 29.038 29.038 29.477 -0.439 19486 88 1 . 1 1 16 16 GLU H H 16 8.755 8.755 8.907 -0.152 19486 89 1 . 1 1 17 17 ASN N N 17 117.537 117.537 117.715 -0.178 19486 90 1 . 1 1 17 17 ASN HA H 17 4.285 4.285 4.578 -0.293 19486 91 1 . 1 1 17 17 ASN C C 17 177.403 177.403 177.611 -0.208 19486 92 1 . 1 1 17 17 ASN CA C 17 56.444 56.444 55.397 1.047 19486 93 1 . 1 1 17 17 ASN CB C 17 37.954 37.954 37.890 0.064 19486 94 1 . 1 1 17 17 ASN H H 17 8.548 8.548 8.442 0.106 19486 95 1 . 1 1 18 18 GLY N N 18 108.587 108.587 109.125 -0.538 19486 96 1 . 1 1 18 18 GLY C C 18 175.491 175.491 176.035 -0.544 19486 97 1 . 1 1 18 18 GLY CA C 18 46.689 46.689 46.564 0.125 19486 98 1 . 1 1 18 18 GLY H H 18 8.038 8.038 7.973 0.065 19486 99 1 . 1 1 19 19 LEU N N 19 123.120 123.120 122.935 0.185 19486 100 1 . 1 1 19 19 LEU HA H 19 3.217 3.217 4.159 -0.942 19486 101 1 . 1 1 19 19 LEU C C 19 176.975 176.975 178.691 -1.716 19486 102 1 . 1 1 19 19 LEU CA C 19 57.774 57.774 57.602 0.172 19486 103 1 . 1 1 19 19 LEU CB C 19 40.895 40.895 41.644 -0.749 19486 104 1 . 1 1 19 19 LEU H H 19 7.240 7.240 7.813 -0.573 19486 105 1 . 1 1 20 20 ARG N N 20 119.506 119.506 117.887 1.619 19486 106 1 . 1 1 20 20 ARG HA H 20 3.784 3.784 3.959 -0.175 19486 107 1 . 1 1 20 20 ARG C C 20 181.705 181.705 178.717 2.988 19486 108 1 . 1 1 20 20 ARG CA C 20 60.383 60.383 59.035 1.348 19486 109 1 . 1 1 20 20 ARG CB C 20 29.927 29.927 29.580 0.347 19486 110 1 . 1 1 20 20 ARG H H 20 8.426 8.426 7.796 0.630 19486 111 1 . 1 1 21 21 GLU N N 21 117.954 117.954 118.669 -0.715 19486 112 1 . 1 1 21 21 GLU HA H 21 3.940 3.940 4.094 -0.154 19486 113 1 . 1 1 21 21 GLU C C 21 180.973 180.973 178.810 2.163 19486 114 1 . 1 1 21 21 GLU CA C 21 59.155 59.155 58.935 0.220 19486 115 1 . 1 1 21 21 GLU CB C 21 29.622 29.622 29.662 -0.040 19486 116 1 . 1 1 21 21 GLU H H 21 7.961 7.961 7.955 0.006 19486 117 1 . 1 1 22 22 HIS N N 22 119.084 119.084 119.283 -0.199 19486 118 1 . 1 1 22 22 HIS HA H 22 4.236 4.236 4.351 -0.115 19486 119 1 . 1 1 22 22 HIS C C 22 179.182 179.182 177.311 1.871 19486 120 1 . 1 1 22 22 HIS CA C 22 58.860 58.860 58.723 0.138 19486 121 1 . 1 1 22 22 HIS CB C 22 28.259 28.259 29.977 -1.718 19486 122 1 . 1 1 22 22 HIS H H 22 7.434 7.434 7.880 -0.446 19486 123 1 . 1 1 23 23 LEU N N 23 122.153 122.153 119.855 2.298 19486 124 1 . 1 1 23 23 LEU HA H 23 3.765 3.765 4.174 -0.409 19486 125 1 . 1 1 23 23 LEU C C 23 181.265 181.265 178.666 2.599 19486 126 1 . 1 1 23 23 LEU CA C 23 58.587 58.587 57.388 1.199 19486 127 1 . 1 1 23 23 LEU CB C 23 41.840 41.840 41.786 0.054 19486 128 1 . 1 1 23 23 LEU H H 23 8.835 8.835 8.108 0.727 19486 129 1 . 1 1 24 24 GLN N N 24 115.740 115.740 116.700 -0.960 19486 130 1 . 1 1 24 24 GLN HA H 24 4.008 4.008 4.078 -0.070 19486 131 1 . 1 1 24 24 GLN C C 24 178.454 178.454 177.833 0.621 19486 132 1 . 1 1 24 24 GLN CA C 24 57.970 57.970 58.093 -0.123 19486 133 1 . 1 1 24 24 GLN CB C 24 28.431 28.431 28.227 0.204 19486 134 1 . 1 1 24 24 GLN H H 24 7.142 7.142 7.784 -0.642 19486 135 1 . 1 1 25 25 THR N N 25 109.376 109.376 110.811 -1.435 19486 136 1 . 1 1 25 25 THR HA H 25 4.129 4.129 4.034 0.095 19486 137 1 . 1 1 25 25 THR C C 25 173.471 173.471 175.365 -1.894 19486 138 1 . 1 1 25 25 THR CA C 25 63.754 63.754 64.244 -0.490 19486 139 1 . 1 1 25 25 THR CB C 25 69.467 69.467 68.525 0.942 19486 140 1 . 1 1 25 25 THR H H 25 7.801 7.801 7.508 0.293 19486 141 1 . 1 1 26 26 HIS N N 26 118.158 118.158 118.901 -0.743 19486 142 1 . 1 1 26 26 HIS HA H 26 4.891 4.891 4.708 0.183 19486 143 1 . 1 1 26 26 HIS C C 26 171.847 171.847 175.807 -3.960 19486 144 1 . 1 1 26 26 HIS CA C 26 55.083 55.083 56.818 -1.735 19486 145 1 . 1 1 26 26 HIS CB C 26 28.686 28.686 30.242 -1.556 19486 146 1 . 1 1 26 26 HIS H H 26 7.095 7.095 7.530 -0.435 19486 147 1 . 1 1 27 27 ARG N N 27 120.083 120.083 120.027 0.056 19486 148 1 . 1 1 27 27 ARG HA H 27 4.400 4.400 4.326 0.074 19486 149 1 . 1 1 27 27 ARG C C 27 175.194 175.194 176.782 -1.588 19486 150 1 . 1 1 27 27 ARG CA C 27 56.387 56.387 56.535 -0.148 19486 151 1 . 1 1 27 27 ARG CB C 27 31.260 31.260 30.585 0.675 19486 152 1 . 1 1 27 27 ARG H H 27 7.630 7.630 7.676 -0.046 19486 153 1 . 1 1 28 28 GLY N N 28 109.773 109.773 108.632 1.141 19486 154 1 . 1 1 28 28 GLY CA C 28 44.632 44.632 44.136 0.496 19486 155 1 . 1 1 28 28 GLY H H 28 8.217 8.217 7.736 0.481 19486 156 1 . 1 1 29 29 PRO HA H 29 4.387 4.387 4.441 -0.054 19486 157 1 . 1 1 29 29 PRO C C 29 176.069 176.069 176.150 -0.081 19486 158 1 . 1 1 29 29 PRO CA C 29 63.030 63.030 62.924 0.106 19486 159 1 . 1 1 29 29 PRO CB C 29 32.227 32.227 32.270 -0.043 19486 160 1 . 1 1 30 30 ALA N N 30 124.277 124.277 125.857 -1.580 19486 161 1 . 1 1 30 30 ALA HA H 30 4.191 4.191 4.369 -0.178 19486 162 1 . 1 1 30 30 ALA C C 30 177.466 177.466 176.929 0.537 19486 163 1 . 1 1 30 30 ALA CA C 30 52.423 52.423 51.917 0.506 19486 164 1 . 1 1 30 30 ALA CB C 30 19.185 19.185 19.088 0.097 19486 165 1 . 1 1 30 30 ALA H H 30 8.312 8.312 8.353 -0.041 19486 166 1 . 1 1 31 31 LYS N N 31 120.503 120.503 121.393 -0.890 19486 167 1 . 1 1 31 31 LYS HA H 31 4.153 4.153 4.344 -0.191 19486 168 1 . 1 1 31 31 LYS C C 31 173.444 173.444 175.421 -1.977 19486 169 1 . 1 1 31 31 LYS CA C 31 55.970 55.970 56.164 -0.194 19486 170 1 . 1 1 31 31 LYS CB C 31 33.189 33.189 32.969 0.220 19486 171 1 . 1 1 31 31 LYS H H 31 8.160 8.160 8.192 -0.032 19486 172 1 . 1 1 32 32 HIS N N 32 118.745 118.745 119.107 -0.362 19486 173 1 . 1 1 32 32 HIS HA H 32 4.642 4.642 4.684 -0.042 19486 174 1 . 1 1 32 32 HIS C C 32 171.199 171.199 174.169 -2.970 19486 175 1 . 1 1 32 32 HIS CA C 32 55.641 55.641 55.376 0.265 19486 176 1 . 1 1 32 32 HIS CB C 32 32.293 32.293 30.094 2.199 19486 177 1 . 1 1 32 32 HIS H H 32 7.888 7.888 8.083 -0.195 19486 178 1 . 1 1 33 33 TYR N N 33 120.158 120.158 120.989 -0.831 19486 179 1 . 1 1 33 33 TYR HA H 33 4.544 4.544 4.673 -0.129 19486 180 1 . 1 1 33 33 TYR C C 33 172.174 172.174 174.194 -2.020 19486 181 1 . 1 1 33 33 TYR CA C 33 57.776 57.776 57.051 0.725 19486 182 1 . 1 1 33 33 TYR CB C 33 39.394 39.394 39.501 -0.107 19486 183 1 . 1 1 33 33 TYR H H 33 8.672 8.672 8.265 0.407 19486 184 1 . 1 1 34 34 MET N N 34 123.629 123.629 124.486 -0.857 19486 185 1 . 1 1 34 34 MET HA H 34 5.113 5.113 5.005 0.108 19486 186 1 . 1 1 34 34 MET C C 34 172.661 172.661 175.248 -2.587 19486 187 1 . 1 1 34 34 MET CA C 34 54.285 54.285 54.140 0.145 19486 188 1 . 1 1 34 34 MET CB C 34 35.606 35.606 35.073 0.533 19486 189 1 . 1 1 34 34 MET H H 34 8.770 8.770 8.183 0.587 19486 190 1 . 1 1 35 35 CYS N N 35 128.648 128.648 127.922 0.726 19486 191 1 . 1 1 35 35 CYS HA H 35 4.814 4.814 4.822 -0.008 19486 192 1 . 1 1 35 35 CYS CA C 35 57.229 57.229 57.286 -0.057 19486 193 1 . 1 1 35 35 CYS CB C 35 30.413 30.413 27.626 2.787 19486 194 1 . 1 1 35 35 CYS H H 35 9.412 9.412 8.743 0.669 19486 195 1 . 1 1 36 36 PRO HA H 36 4.527 4.527 4.304 0.223 19486 196 1 . 1 1 36 36 PRO C C 36 175.359 175.359 177.054 -1.695 19486 197 1 . 1 1 36 36 PRO CA C 36 64.130 64.130 65.169 -1.038 19486 198 1 . 1 1 36 36 PRO CB C 36 32.327 32.327 31.935 0.392 19486 199 1 . 1 1 37 37 ILE N N 37 121.680 121.680 117.589 4.091 19486 200 1 . 1 1 37 37 ILE HA H 37 3.906 3.906 3.976 -0.070 19486 201 1 . 1 1 37 37 ILE C C 37 176.316 176.316 177.424 -1.108 19486 202 1 . 1 1 37 37 ILE CA C 37 63.160 63.160 62.879 0.281 19486 203 1 . 1 1 37 37 ILE CB C 37 38.333 38.333 38.391 -0.058 19486 204 1 . 1 1 37 37 ILE H H 37 8.802 8.802 8.141 0.661 19486 205 1 . 1 1 38 38 CYS N N 38 115.962 115.962 114.824 1.138 19486 206 1 . 1 1 38 38 CYS HA H 38 5.137 5.137 4.934 0.203 19486 207 1 . 1 1 38 38 CYS C C 38 175.994 175.994 175.831 0.163 19486 208 1 . 1 1 38 38 CYS CA C 38 58.260 58.260 57.617 0.642 19486 209 1 . 1 1 38 38 CYS CB C 38 32.806 32.806 29.628 3.178 19486 210 1 . 1 1 38 38 CYS H H 38 8.070 8.070 8.197 -0.127 19486 211 1 . 1 1 39 39 GLY N N 39 113.286 113.286 111.295 1.991 19486 212 1 . 1 1 39 39 GLY C C 39 169.495 169.495 174.514 -5.019 19486 213 1 . 1 1 39 39 GLY CA C 39 46.446 46.446 45.737 0.709 19486 214 1 . 1 1 39 39 GLY H H 39 8.113 8.113 8.172 -0.059 19486 215 1 . 1 1 40 40 GLU N N 40 122.500 122.500 119.562 2.938 19486 216 1 . 1 1 40 40 GLU HA H 40 4.028 4.028 4.189 -0.161 19486 217 1 . 1 1 40 40 GLU C C 40 171.486 171.486 176.032 -4.546 19486 218 1 . 1 1 40 40 GLU CA C 40 57.719 57.719 56.153 1.566 19486 219 1 . 1 1 40 40 GLU CB C 40 30.434 30.434 30.033 0.401 19486 220 1 . 1 1 40 40 GLU H H 40 8.119 8.119 8.137 -0.018 19486 221 1 . 1 1 41 41 ARG N N 41 120.904 120.904 122.300 -1.396 19486 222 1 . 1 1 41 41 ARG HA H 41 4.938 4.938 4.693 0.245 19486 223 1 . 1 1 41 41 ARG C C 41 173.428 173.428 175.419 -1.991 19486 224 1 . 1 1 41 41 ARG CA C 41 55.153 55.153 55.579 -0.426 19486 225 1 . 1 1 41 41 ARG CB C 41 32.810 32.810 31.147 1.663 19486 226 1 . 1 1 41 41 ARG H H 41 8.051 8.051 8.418 -0.367 19486 227 1 . 1 1 42 42 PHE N N 42 119.481 119.481 123.770 -4.289 19486 228 1 . 1 1 42 42 PHE HA H 42 4.688 4.688 4.943 -0.255 19486 229 1 . 1 1 42 42 PHE CA C 42 56.737 56.737 55.019 1.718 19486 230 1 . 1 1 42 42 PHE CB C 42 41.976 41.976 41.136 0.840 19486 231 1 . 1 1 42 42 PHE H H 42 8.856 8.856 8.441 0.415 19486 232 1 . 1 1 43 43 PRO HA H 43 4.789 4.789 4.357 0.432 19486 233 1 . 1 1 43 43 PRO C C 43 174.319 174.319 176.367 -2.048 19486 234 1 . 1 1 43 43 PRO CA C 43 63.666 63.666 63.984 -0.318 19486 235 1 . 1 1 43 43 PRO CB C 43 32.803 32.803 32.149 0.654 19486 236 1 . 1 1 44 44 SER N N 44 110.500 110.500 112.146 -1.646 19486 237 1 . 1 1 44 44 SER HA H 44 4.601 4.601 4.663 -0.062 19486 238 1 . 1 1 44 44 SER C C 44 166.956 166.956 172.983 -6.027 19486 239 1 . 1 1 44 44 SER CA C 44 55.700 55.700 56.956 -1.256 19486 240 1 . 1 1 44 44 SER CB C 44 67.018 67.018 65.597 1.421 19486 241 1 . 1 1 44 44 SER H H 44 7.246 7.246 7.613 -0.367 19486 242 1 . 1 1 45 45 LEU N N 45 122.780 122.780 122.966 -0.186 19486 243 1 . 1 1 45 45 LEU HA H 45 3.505 3.505 4.403 -0.898 19486 244 1 . 1 1 45 45 LEU C C 45 181.968 181.968 175.199 6.769 19486 245 1 . 1 1 45 45 LEU CA C 45 57.272 57.272 54.668 2.604 19486 246 1 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.006 1.171 19486 247 1 . 1 1 45 45 LEU H H 45 8.272 8.272 8.676 -0.404 19486 248 1 . 1 1 46 46 LEU N N 46 121.552 121.552 119.817 1.735 19486 249 1 . 1 1 46 46 LEU HA H 46 4.034 4.034 4.538 -0.504 19486 250 1 . 1 1 46 46 LEU C C 46 180.359 180.359 177.779 2.580 19486 251 1 . 1 1 46 46 LEU CA C 46 58.636 58.636 56.592 2.044 19486 252 1 . 1 1 46 46 LEU CB C 46 42.115 42.115 43.123 -1.008 19486 253 1 . 1 1 46 46 LEU H H 46 8.289 8.289 7.694 0.595 19486 254 1 . 1 1 47 47 THR N N 47 109.081 109.081 115.437 -6.356 19486 255 1 . 1 1 47 47 THR HA H 47 3.980 3.980 4.117 -0.137 19486 256 1 . 1 1 47 47 THR C C 47 179.649 179.649 176.301 3.348 19486 257 1 . 1 1 47 47 THR CA C 47 65.057 65.057 65.603 -0.546 19486 258 1 . 1 1 47 47 THR CB C 47 69.160 69.160 68.756 0.404 19486 259 1 . 1 1 47 47 THR H H 47 7.456 7.456 7.854 -0.398 19486 260 1 . 1 1 48 48 LEU N N 48 124.194 124.194 122.036 2.158 19486 261 1 . 1 1 48 48 LEU HA H 48 3.269 3.269 3.540 -0.271 19486 262 1 . 1 1 48 48 LEU C C 48 178.335 178.335 178.100 0.235 19486 263 1 . 1 1 48 48 LEU CA C 48 58.381 58.381 58.153 0.228 19486 264 1 . 1 1 48 48 LEU CB C 48 40.867 40.867 41.255 -0.388 19486 265 1 . 1 1 48 48 LEU H H 48 7.582 7.582 7.478 0.104 19486 266 1 . 1 1 49 49 THR N N 49 117.072 117.072 114.628 2.444 19486 267 1 . 1 1 49 49 THR HA H 49 3.645 3.645 3.877 -0.232 19486 268 1 . 1 1 49 49 THR C C 49 175.471 175.471 176.702 -1.231 19486 269 1 . 1 1 49 49 THR CA C 49 67.720 67.720 67.002 0.718 19486 270 1 . 1 1 49 49 THR CB C 49 68.791 68.791 68.340 0.451 19486 271 1 . 1 1 49 49 THR H H 49 8.558 8.558 7.874 0.684 19486 272 1 . 1 1 50 50 GLU N N 50 120.004 120.004 120.833 -0.829 19486 273 1 . 1 1 50 50 GLU HA H 50 3.929 3.929 3.940 -0.011 19486 274 1 . 1 1 50 50 GLU C C 50 179.081 179.081 178.758 0.323 19486 275 1 . 1 1 50 50 GLU CA C 50 59.130 59.130 59.140 -0.010 19486 276 1 . 1 1 50 50 GLU CB C 50 29.684 29.684 29.311 0.373 19486 277 1 . 1 1 50 50 GLU H H 50 7.966 7.966 7.839 0.127 19486 278 1 . 1 1 51 51 HIS N N 51 117.288 117.288 119.174 -1.886 19486 279 1 . 1 1 51 51 HIS HA H 51 4.249 4.249 4.246 0.003 19486 280 1 . 1 1 51 51 HIS C C 51 178.240 178.240 176.725 1.515 19486 281 1 . 1 1 51 51 HIS CA C 51 58.486 58.486 58.831 -0.345 19486 282 1 . 1 1 51 51 HIS CB C 51 28.064 28.064 29.839 -1.775 19486 283 1 . 1 1 51 51 HIS H H 51 7.377 7.377 7.650 -0.273 19486 284 1 . 1 1 52 52 LYS N N 52 120.729 120.729 118.308 2.421 19486 285 1 . 1 1 52 52 LYS HA H 52 3.678 3.678 4.054 -0.376 19486 286 1 . 1 1 52 52 LYS C C 52 178.361 178.361 179.072 -0.711 19486 287 1 . 1 1 52 52 LYS CA C 52 60.653 60.653 59.058 1.595 19486 288 1 . 1 1 52 52 LYS CB C 52 32.460 32.460 32.362 0.099 19486 289 1 . 1 1 52 52 LYS H H 52 8.572 8.572 7.824 0.748 19486 290 1 . 1 1 53 53 VAL N N 53 112.220 112.220 115.364 -3.145 19486 291 1 . 1 1 53 53 VAL HA H 53 4.099 4.099 3.996 0.103 19486 292 1 . 1 1 53 53 VAL C C 53 175.078 175.078 177.326 -2.248 19486 293 1 . 1 1 53 53 VAL CA C 53 63.440 63.440 64.903 -1.463 19486 294 1 . 1 1 53 53 VAL CB C 53 31.387 31.387 31.508 -0.121 19486 295 1 . 1 1 53 53 VAL H H 53 6.940 6.940 7.704 -0.764 19486 296 1 . 1 1 54 54 THR N N 54 110.466 110.466 111.667 -1.201 19486 297 1 . 1 1 54 54 THR HA H 54 4.135 4.135 4.279 -0.144 19486 298 1 . 1 1 54 54 THR C C 54 171.847 171.847 174.871 -3.024 19486 299 1 . 1 1 54 54 THR CA C 54 63.056 63.056 61.589 1.467 19486 300 1 . 1 1 54 54 THR CB C 54 69.595 69.595 68.481 1.114 19486 301 1 . 1 1 54 54 THR H H 54 7.581 7.581 7.590 -0.009 19486 stop_ save_