data_17588 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17588 _Entry.PDB_ID 2LC2 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 17588 _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 6 6 SER HA H 6 4.480 4.480 4.339 0.141 17588 2 1 1 . 1 1 6 6 SER C C 6 174.995 174.995 174.544 0.451 17588 3 1 1 . 1 1 6 6 SER CA C 6 58.675 58.675 58.987 -0.312 17588 4 1 1 . 1 1 6 6 SER CB C 6 63.822 63.822 64.019 -0.197 17588 5 1 1 . 1 1 7 7 GLY N N 7 110.458 110.458 111.453 -0.995 17588 6 1 1 . 1 1 7 7 GLY C C 7 173.853 173.853 172.939 0.914 17588 7 1 1 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.697 0.650 17588 8 1 1 . 1 1 7 7 GLY H H 7 8.394 8.394 8.775 -0.381 17588 9 1 1 . 1 1 8 8 ASN N N 8 119.020 119.020 116.822 2.198 17588 10 1 1 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.907 -0.150 17588 11 1 1 . 1 1 8 8 ASN C C 8 175.389 175.389 173.313 2.076 17588 12 1 1 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.743 0.488 17588 13 1 1 . 1 1 8 8 ASN CB C 8 38.959 38.959 40.322 -1.363 17588 14 1 1 . 1 1 8 8 ASN H H 8 8.308 8.308 8.346 -0.038 17588 15 1 1 . 1 1 9 9 VAL N N 9 120.281 120.281 120.556 -0.275 17588 16 1 1 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.376 -0.261 17588 17 1 1 . 1 1 9 9 VAL C C 9 175.980 175.980 173.653 2.327 17588 18 1 1 . 1 1 9 9 VAL CA C 9 62.468 62.468 61.833 0.635 17588 19 1 1 . 1 1 9 9 VAL CB C 9 32.712 32.712 34.585 -1.873 17588 20 1 1 . 1 1 9 9 VAL H H 9 8.173 8.173 8.849 -0.676 17588 21 1 1 . 1 1 10 10 ASP N N 10 123.840 123.840 124.178 -0.338 17588 22 1 1 . 1 1 10 10 ASP HA H 10 4.624 4.624 5.016 -0.392 17588 23 1 1 . 1 1 10 10 ASP C C 10 176.599 176.599 174.597 2.002 17588 24 1 1 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.551 0.839 17588 25 1 1 . 1 1 10 10 ASP CB C 10 41.343 41.343 43.337 -1.994 17588 26 1 1 . 1 1 10 10 ASP H H 10 8.418 8.418 8.498 -0.080 17588 27 1 1 . 1 1 11 11 SER N N 11 117.003 117.003 116.316 0.687 17588 28 1 1 . 1 1 11 11 SER HA H 11 4.395 4.395 4.403 -0.008 17588 29 1 1 . 1 1 11 11 SER C C 11 174.834 174.834 174.265 0.569 17588 30 1 1 . 1 1 11 11 SER CA C 11 58.886 58.886 58.382 0.504 17588 31 1 1 . 1 1 11 11 SER CB C 11 63.740 63.740 63.502 0.238 17588 32 1 1 . 1 1 11 11 SER H H 11 8.312 8.312 8.375 -0.063 17588 33 1 1 . 1 1 12 12 ASN N N 12 120.512 120.512 119.735 0.777 17588 34 1 1 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.563 0.122 17588 35 1 1 . 1 1 12 12 ASN C C 12 175.646 175.646 175.082 0.564 17588 36 1 1 . 1 1 12 12 ASN CA C 12 53.793 53.793 53.971 -0.178 17588 37 1 1 . 1 1 12 12 ASN CB C 12 38.630 38.630 38.497 0.133 17588 38 1 1 . 1 1 12 12 ASN H H 12 8.511 8.511 8.239 0.272 17588 39 1 1 . 1 1 13 13 GLN N N 13 120.057 120.057 122.821 -2.764 17588 40 1 1 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.286 -0.048 17588 41 1 1 . 1 1 13 13 GLN C C 13 175.988 175.988 175.667 0.321 17588 42 1 1 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.828 0.619 17588 43 1 1 . 1 1 13 13 GLN CB C 13 29.137 29.137 29.600 -0.463 17588 44 1 1 . 1 1 13 13 GLN H H 13 8.258 8.258 8.517 -0.259 17588 45 1 1 . 1 1 14 14 ASN N N 14 119.323 119.323 115.433 3.890 17588 46 1 1 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.908 -0.223 17588 47 1 1 . 1 1 14 14 ASN C C 14 175.552 175.552 173.523 2.029 17588 48 1 1 . 1 1 14 14 ASN CA C 14 53.565 53.565 53.030 0.535 17588 49 1 1 . 1 1 14 14 ASN CB C 14 38.763 38.763 40.057 -1.294 17588 50 1 1 . 1 1 14 14 ASN H H 14 8.377 8.377 8.390 -0.013 17588 51 1 1 . 1 1 15 15 LYS N N 15 121.938 121.938 118.660 3.278 17588 52 1 1 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.635 -0.421 17588 53 1 1 . 1 1 15 15 LYS C C 15 176.933 176.933 174.608 2.325 17588 54 1 1 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.575 1.660 17588 55 1 1 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.964 -1.211 17588 56 1 1 . 1 1 15 15 LYS H H 15 8.224 8.224 8.296 -0.072 17588 57 1 1 . 1 1 16 16 ALA N N 16 123.956 123.956 123.659 0.297 17588 58 1 1 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.625 -0.351 17588 59 1 1 . 1 1 16 16 ALA C C 16 178.593 178.593 177.596 0.997 17588 60 1 1 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.778 1.664 17588 61 1 1 . 1 1 16 16 ALA CB C 16 18.863 18.863 21.450 -2.587 17588 62 1 1 . 1 1 16 16 ALA H H 16 8.292 8.292 8.288 0.004 17588 63 1 1 . 1 1 17 17 SER N N 17 114.462 114.462 119.268 -4.806 17588 64 1 1 . 1 1 17 17 SER HA H 17 4.365 4.365 4.557 -0.192 17588 65 1 1 . 1 1 17 17 SER C C 17 175.370 175.370 174.719 0.651 17588 66 1 1 . 1 1 17 17 SER CA C 17 59.077 59.077 57.880 1.197 17588 67 1 1 . 1 1 17 17 SER CB C 17 63.383 63.383 62.261 1.122 17588 68 1 1 . 1 1 17 17 SER H H 17 8.200 8.200 8.839 -0.639 17588 69 1 1 . 1 1 18 18 MET N N 18 121.999 121.999 124.399 -2.400 17588 70 1 1 . 1 1 18 18 MET HA H 18 4.429 4.429 4.541 -0.112 17588 71 1 1 . 1 1 18 18 MET C C 18 176.829 176.829 175.904 0.925 17588 72 1 1 . 1 1 18 18 MET CA C 18 56.357 56.357 55.711 0.646 17588 73 1 1 . 1 1 18 18 MET CB C 18 32.630 32.630 32.273 0.358 17588 74 1 1 . 1 1 18 18 MET H H 18 8.214 8.214 8.251 -0.037 17588 75 1 1 . 1 1 19 19 LEU N N 19 122.083 122.083 116.858 5.225 17588 76 1 1 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.550 -0.294 17588 77 1 1 . 1 1 19 19 LEU C C 19 177.774 177.774 176.953 0.821 17588 78 1 1 . 1 1 19 19 LEU CA C 19 56.111 56.111 55.040 1.071 17588 79 1 1 . 1 1 19 19 LEU CB C 19 42.041 42.041 42.031 0.010 17588 80 1 1 . 1 1 19 19 LEU H H 19 8.076 8.076 7.573 0.503 17588 81 1 1 . 1 1 20 20 GLN N N 20 120.123 120.123 120.385 -0.262 17588 82 1 1 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.499 -0.292 17588 83 1 1 . 1 1 20 20 GLN C C 20 176.166 176.166 174.651 1.515 17588 84 1 1 . 1 1 20 20 GLN CA C 20 56.409 56.409 55.291 1.118 17588 85 1 1 . 1 1 20 20 GLN CB C 20 29.196 29.196 31.041 -1.845 17588 86 1 1 . 1 1 20 20 GLN H H 20 8.174 8.174 7.772 0.402 17588 87 1 1 . 1 1 21 21 ALA N N 21 124.216 124.216 125.351 -1.135 17588 88 1 1 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.622 -0.368 17588 89 1 1 . 1 1 21 21 ALA C C 21 178.034 178.034 176.141 1.893 17588 90 1 1 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.449 1.677 17588 91 1 1 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.791 -1.720 17588 92 1 1 . 1 1 21 21 ALA H H 21 8.151 8.151 8.329 -0.178 17588 93 1 1 . 1 1 22 22 ARG N N 22 119.591 119.591 125.043 -5.452 17588 94 1 1 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.257 0.051 17588 95 1 1 . 1 1 22 22 ARG C C 22 176.750 176.750 176.534 0.216 17588 96 1 1 . 1 1 22 22 ARG CA C 22 56.427 56.427 56.317 0.110 17588 97 1 1 . 1 1 22 22 ARG CB C 22 30.616 30.616 29.164 1.452 17588 98 1 1 . 1 1 22 22 ARG H H 22 8.147 8.147 8.684 -0.537 17588 99 1 1 . 1 1 23 23 LEU N N 23 122.553 122.553 124.282 -1.729 17588 100 1 1 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.522 -0.248 17588 101 1 1 . 1 1 23 23 LEU C C 23 177.547 177.547 176.355 1.192 17588 102 1 1 . 1 1 23 23 LEU CA C 23 55.690 55.690 55.373 0.317 17588 103 1 1 . 1 1 23 23 LEU CB C 23 42.082 42.082 42.527 -0.445 17588 104 1 1 . 1 1 23 23 LEU H H 23 8.220 8.220 8.626 -0.406 17588 105 1 1 . 1 1 24 24 ASN N N 24 118.666 118.666 116.873 1.793 17588 106 1 1 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.899 -0.226 17588 107 1 1 . 1 1 24 24 ASN C C 24 175.246 175.246 173.583 1.663 17588 108 1 1 . 1 1 24 24 ASN CA C 24 53.565 53.565 51.794 1.770 17588 109 1 1 . 1 1 24 24 ASN CB C 24 38.836 38.836 40.275 -1.439 17588 110 1 1 . 1 1 24 24 ASN H H 24 8.351 8.351 7.922 0.429 17588 111 1 1 . 1 1 25 25 ASP N N 25 120.897 120.897 119.051 1.846 17588 112 1 1 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.723 -0.147 17588 113 1 1 . 1 1 25 25 ASP C C 25 176.732 176.732 176.297 0.435 17588 114 1 1 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.821 0.885 17588 115 1 1 . 1 1 25 25 ASP CB C 25 41.219 41.219 42.124 -0.905 17588 116 1 1 . 1 1 25 25 ASP H H 25 8.234 8.234 8.407 -0.173 17588 117 1 1 . 1 1 26 26 GLU N N 26 121.168 121.168 119.883 1.285 17588 118 1 1 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.579 -0.365 17588 119 1 1 . 1 1 26 26 GLU C C 26 176.857 176.857 175.249 1.608 17588 120 1 1 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.817 1.430 17588 121 1 1 . 1 1 26 26 GLU CB C 26 29.959 29.959 31.363 -1.404 17588 122 1 1 . 1 1 26 26 GLU H H 26 8.368 8.368 8.496 -0.128 17588 123 1 1 . 1 1 27 27 ALA N N 27 124.100 124.100 126.637 -2.537 17588 124 1 1 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.692 -0.375 17588 125 1 1 . 1 1 27 27 ALA C C 27 178.520 178.520 177.189 1.331 17588 126 1 1 . 1 1 27 27 ALA CA C 27 52.986 52.986 51.879 1.107 17588 127 1 1 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.696 -0.751 17588 128 1 1 . 1 1 27 27 ALA H H 27 8.289 8.289 8.389 -0.100 17588 129 1 1 . 1 1 28 28 GLY N N 28 107.844 107.844 106.062 1.782 17588 130 1 1 . 1 1 28 28 GLY C C 28 175.019 175.019 174.179 0.840 17588 131 1 1 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.049 0.579 17588 132 1 1 . 1 1 28 28 GLY H H 28 8.315 8.315 9.677 -1.362 17588 133 1 1 . 1 1 29 29 GLY N N 29 108.754 108.754 107.657 1.097 17588 134 1 1 . 1 1 29 29 GLY C C 29 174.659 174.659 172.984 1.675 17588 135 1 1 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.265 0.222 17588 136 1 1 . 1 1 29 29 GLY H H 29 8.266 8.266 8.287 -0.021 17588 137 1 1 . 1 1 30 30 THR N N 30 114.068 114.068 112.741 1.327 17588 138 1 1 . 1 1 30 30 THR HA H 30 4.301 4.301 4.452 -0.151 17588 139 1 1 . 1 1 30 30 THR C C 30 174.789 174.789 174.013 0.776 17588 140 1 1 . 1 1 30 30 THR CA C 30 62.327 62.327 62.063 0.264 17588 141 1 1 . 1 1 30 30 THR CB C 30 69.553 69.553 69.658 -0.105 17588 142 1 1 . 1 1 30 30 THR H H 30 8.111 8.111 8.144 -0.033 17588 143 1 1 . 1 1 31 31 ARG N N 31 123.536 123.536 127.758 -4.222 17588 144 1 1 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.580 -0.281 17588 145 1 1 . 1 1 31 31 ARG C C 31 176.125 176.125 175.193 0.932 17588 146 1 1 . 1 1 31 31 ARG CA C 31 56.462 56.462 56.181 0.281 17588 147 1 1 . 1 1 31 31 ARG CB C 31 30.657 30.657 30.579 0.078 17588 148 1 1 . 1 1 31 31 ARG H H 31 8.343 8.343 8.544 -0.201 17588 149 1 1 . 1 1 32 32 LEU N N 32 122.865 122.865 125.638 -2.773 17588 150 1 1 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.628 -0.309 17588 151 1 1 . 1 1 32 32 LEU C C 32 177.036 177.036 176.435 0.601 17588 152 1 1 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.537 0.696 17588 153 1 1 . 1 1 32 32 LEU CB C 32 42.264 42.264 42.981 -0.717 17588 154 1 1 . 1 1 32 32 LEU H H 32 8.203 8.203 8.558 -0.355 17588 155 1 1 . 1 1 33 33 LEU N N 33 123.054 123.054 126.634 -3.580 17588 156 1 1 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.643 -0.307 17588 157 1 1 . 1 1 33 33 LEU C C 33 177.022 177.022 176.381 0.641 17588 158 1 1 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.694 0.375 17588 159 1 1 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.035 0.253 17588 160 1 1 . 1 1 33 33 LEU H H 33 8.150 8.150 8.599 -0.449 17588 161 1 1 . 1 1 34 34 ARG N N 34 122.226 122.226 126.132 -3.906 17588 162 1 1 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.612 -0.275 17588 163 1 1 . 1 1 34 34 ARG C C 34 175.950 175.950 174.313 1.637 17588 164 1 1 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.998 -0.080 17588 165 1 1 . 1 1 34 34 ARG CB C 34 30.781 30.781 32.444 -1.663 17588 166 1 1 . 1 1 34 34 ARG H H 34 8.248 8.248 8.758 -0.510 17588 167 1 1 . 1 1 35 35 VAL N N 35 121.294 121.294 124.565 -3.271 17588 168 1 1 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.637 -0.596 17588 169 1 1 . 1 1 35 35 VAL C C 35 175.709 175.709 173.837 1.872 17588 170 1 1 . 1 1 35 35 VAL CA C 35 62.240 62.240 61.817 0.423 17588 171 1 1 . 1 1 35 35 VAL CB C 35 32.753 32.753 34.190 -1.437 17588 172 1 1 . 1 1 35 35 VAL H H 35 8.107 8.107 8.829 -0.722 17588 173 1 1 . 1 1 36 36 HIS N N 36 123.522 123.522 124.714 -1.192 17588 174 1 1 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.956 -0.358 17588 175 1 1 . 1 1 36 36 HIS C C 36 174.825 174.825 173.266 1.559 17588 176 1 1 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.640 -0.529 17588 177 1 1 . 1 1 36 36 HIS CB C 36 30.944 30.944 31.843 -0.899 17588 178 1 1 . 1 1 36 36 HIS H H 36 8.410 8.410 8.621 -0.211 17588 179 1 1 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.781 -0.181 17588 180 1 1 . 1 1 37 37 HIS C C 37 175.173 175.173 174.123 1.050 17588 181 1 1 . 1 1 37 37 HIS CA C 37 56.217 56.217 56.664 -0.447 17588 182 1 1 . 1 1 37 37 HIS CB C 37 31.027 31.027 30.961 0.066 17588 183 1 1 . 1 1 38 38 GLU N N 38 122.826 122.826 119.320 3.506 17588 184 1 1 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.500 -0.245 17588 185 1 1 . 1 1 38 38 GLU C C 38 176.483 176.483 174.516 1.967 17588 186 1 1 . 1 1 38 38 GLU CA C 38 56.919 56.919 55.635 1.284 17588 187 1 1 . 1 1 38 38 GLU CB C 38 30.328 30.328 31.688 -1.360 17588 188 1 1 . 1 1 38 38 GLU H H 38 8.569 8.569 7.952 0.617 17588 189 1 1 . 1 1 39 39 SER N N 39 116.398 116.398 117.920 -1.522 17588 190 1 1 . 1 1 39 39 SER HA H 39 4.454 4.454 4.568 -0.114 17588 191 1 1 . 1 1 39 39 SER C C 39 174.497 174.497 172.904 1.593 17588 192 1 1 . 1 1 39 39 SER CA C 39 58.552 58.552 58.288 0.264 17588 193 1 1 . 1 1 39 39 SER CB C 39 64.028 64.028 64.252 -0.224 17588 194 1 1 . 1 1 39 39 SER H H 39 8.444 8.444 8.602 -0.158 17588 195 1 1 . 1 1 40 40 ASP N N 40 122.831 122.831 126.402 -3.571 17588 196 1 1 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.928 -0.256 17588 197 1 1 . 1 1 40 40 ASP C C 40 176.783 176.783 175.565 1.218 17588 198 1 1 . 1 1 40 40 ASP CA C 40 54.759 54.759 53.639 1.120 17588 199 1 1 . 1 1 40 40 ASP CB C 40 41.014 41.014 42.047 -1.033 17588 200 1 1 . 1 1 40 40 ASP H H 40 8.469 8.469 8.505 -0.036 17588 201 1 1 . 1 1 41 41 THR N N 41 113.679 113.679 117.854 -4.175 17588 202 1 1 . 1 1 41 41 THR HA H 41 4.181 4.181 4.526 -0.345 17588 203 1 1 . 1 1 41 41 THR C C 41 175.314 175.314 174.152 1.162 17588 204 1 1 . 1 1 41 41 THR CA C 41 62.819 62.819 62.145 0.673 17588 205 1 1 . 1 1 41 41 THR CB C 41 69.576 69.576 69.660 -0.084 17588 206 1 1 . 1 1 41 41 THR H H 41 8.066 8.066 8.554 -0.488 17588 207 1 1 . 1 1 42 42 GLU N N 42 122.776 122.776 126.112 -3.336 17588 208 1 1 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.608 -0.400 17588 209 1 1 . 1 1 42 42 GLU C C 42 177.129 177.129 176.803 0.326 17588 210 1 1 . 1 1 42 42 GLU CA C 42 57.322 57.322 55.984 1.338 17588 211 1 1 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.383 -0.383 17588 212 1 1 . 1 1 42 42 GLU H H 42 8.343 8.343 8.769 -0.426 17588 213 1 1 . 1 1 43 43 GLU N N 43 121.898 121.898 120.440 1.458 17588 214 1 1 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.098 0.113 17588 215 1 1 . 1 1 43 43 GLU C C 43 177.313 177.313 178.735 -1.422 17588 216 1 1 . 1 1 43 43 GLU CA C 43 57.453 57.453 59.809 -2.356 17588 217 1 1 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.153 0.806 17588 218 1 1 . 1 1 43 43 GLU H H 43 8.397 8.397 8.755 -0.358 17588 219 1 1 . 1 1 44 44 ARG N N 44 121.336 121.336 119.224 2.112 17588 220 1 1 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.010 0.216 17588 221 1 1 . 1 1 44 44 ARG C C 44 178.048 178.048 178.677 -0.629 17588 222 1 1 . 1 1 44 44 ARG CA C 44 57.779 57.779 59.228 -1.449 17588 223 1 1 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.844 0.522 17588 224 1 1 . 1 1 44 44 ARG H H 44 8.401 8.401 8.641 -0.240 17588 225 1 1 . 1 1 45 45 GLY N N 45 109.098 109.098 105.700 3.398 17588 226 1 1 . 1 1 45 45 GLY C C 45 175.522 175.522 175.688 -0.166 17588 227 1 1 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.732 0.668 17588 228 1 1 . 1 1 45 45 GLY H H 45 8.536 8.536 7.755 0.781 17588 229 1 1 . 1 1 46 46 PHE N N 46 121.592 121.592 123.714 -2.122 17588 230 1 1 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.018 0.399 17588 231 1 1 . 1 1 46 46 PHE C C 46 177.561 177.561 177.063 0.498 17588 232 1 1 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.454 -1.374 17588 233 1 1 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.218 -0.307 17588 234 1 1 . 1 1 46 46 PHE H H 46 8.071 8.071 8.278 -0.207 17588 235 1 1 . 1 1 47 47 LEU N N 47 121.344 121.344 117.726 3.618 17588 236 1 1 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.793 0.249 17588 237 1 1 . 1 1 47 47 LEU C C 47 179.621 179.621 178.672 0.949 17588 238 1 1 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.769 -0.309 17588 239 1 1 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.819 -0.182 17588 240 1 1 . 1 1 47 47 LEU H H 47 8.215 8.215 8.372 -0.157 17588 241 1 1 . 1 1 48 48 GLU N N 48 121.986 121.986 119.547 2.439 17588 242 1 1 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.640 0.348 17588 243 1 1 . 1 1 48 48 GLU C C 48 177.573 177.573 178.644 -1.071 17588 244 1 1 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.380 -0.073 17588 245 1 1 . 1 1 48 48 GLU CB C 48 29.648 29.648 28.943 0.705 17588 246 1 1 . 1 1 48 48 GLU H H 48 8.225 8.225 7.762 0.463 17588 247 1 1 . 1 1 49 49 LYS N N 49 118.759 118.759 118.317 0.442 17588 248 1 1 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.580 -0.337 17588 249 1 1 . 1 1 49 49 LYS C C 49 177.659 177.659 178.655 -0.996 17588 250 1 1 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.542 0.344 17588 251 1 1 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.252 0.050 17588 252 1 1 . 1 1 49 49 LYS H H 49 7.790 7.790 7.956 -0.166 17588 253 1 1 . 1 1 50 50 ALA N N 50 120.023 120.023 120.250 -0.227 17588 254 1 1 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.910 0.049 17588 255 1 1 . 1 1 50 50 ALA C C 50 180.486 180.486 178.858 1.628 17588 256 1 1 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.624 0.258 17588 257 1 1 . 1 1 50 50 ALA CB C 50 17.877 17.877 18.209 -0.332 17588 258 1 1 . 1 1 50 50 ALA H H 50 7.798 7.798 7.307 0.491 17588 259 1 1 . 1 1 51 51 ALA N N 51 121.955 121.955 122.155 -0.200 17588 260 1 1 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.035 0.078 17588 261 1 1 . 1 1 51 51 ALA C C 51 180.762 180.762 179.434 1.328 17588 262 1 1 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.088 0.023 17588 263 1 1 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.153 -0.112 17588 264 1 1 . 1 1 51 51 ALA H H 51 7.809 7.809 7.908 -0.099 17588 265 1 1 . 1 1 52 52 VAL N N 52 120.415 120.415 117.840 2.575 17588 266 1 1 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.562 0.088 17588 267 1 1 . 1 1 52 52 VAL C C 52 178.567 178.567 178.359 0.208 17588 268 1 1 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.565 0.662 17588 269 1 1 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.268 0.842 17588 270 1 1 . 1 1 52 52 VAL H H 52 7.944 7.944 8.160 -0.216 17588 271 1 1 . 1 1 53 53 LYS N N 53 119.231 119.231 119.282 -0.051 17588 272 1 1 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.726 -0.162 17588 273 1 1 . 1 1 53 53 LYS C C 53 178.546 178.546 178.612 -0.066 17588 274 1 1 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.528 1.192 17588 275 1 1 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.996 0.255 17588 276 1 1 . 1 1 53 53 LYS H H 53 8.132 8.132 7.411 0.721 17588 277 1 1 . 1 1 54 54 LYS N N 54 119.514 119.514 119.949 -0.435 17588 278 1 1 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.844 0.149 17588 279 1 1 . 1 1 54 54 LYS C C 54 179.987 179.987 179.114 0.873 17588 280 1 1 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.878 0.359 17588 281 1 1 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.204 0.279 17588 282 1 1 . 1 1 54 54 LYS H H 54 7.956 7.956 8.070 -0.114 17588 283 1 1 . 1 1 55 55 MET N N 55 119.732 119.732 117.203 2.529 17588 284 1 1 . 1 1 55 55 MET HA H 55 4.251 4.251 4.053 0.198 17588 285 1 1 . 1 1 55 55 MET C C 55 177.536 177.536 178.356 -0.820 17588 286 1 1 . 1 1 55 55 MET CA C 55 58.396 58.396 58.458 -0.062 17588 287 1 1 . 1 1 55 55 MET CB C 55 34.228 34.228 31.523 2.705 17588 288 1 1 . 1 1 55 55 MET H H 55 7.816 7.816 7.951 -0.135 17588 289 1 1 . 1 1 56 56 ALA N N 56 122.295 122.295 122.299 -0.004 17588 290 1 1 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.069 0.083 17588 291 1 1 . 1 1 56 56 ALA C C 56 179.615 179.615 179.845 -0.230 17588 292 1 1 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.284 0.054 17588 293 1 1 . 1 1 56 56 ALA CB C 56 19.106 19.106 17.859 1.247 17588 294 1 1 . 1 1 56 56 ALA H H 56 8.724 8.724 7.638 1.086 17588 295 1 1 . 1 1 57 57 LYS N N 57 117.704 117.704 119.027 -1.323 17588 296 1 1 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.114 -0.030 17588 297 1 1 . 1 1 57 57 LYS C C 57 179.358 179.358 178.852 0.506 17588 298 1 1 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.769 0.205 17588 299 1 1 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.457 0.044 17588 300 1 1 . 1 1 57 57 LYS H H 57 8.444 8.444 7.982 0.462 17588 301 1 1 . 1 1 58 58 ALA N N 58 122.736 122.736 119.858 2.878 17588 302 1 1 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.063 0.108 17588 303 1 1 . 1 1 58 58 ALA C C 58 180.708 180.708 179.614 1.094 17588 304 1 1 . 1 1 58 58 ALA CA C 58 55.111 55.111 54.876 0.235 17588 305 1 1 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.328 -0.780 17588 306 1 1 . 1 1 58 58 ALA H H 58 7.701 7.701 7.528 0.173 17588 307 1 1 . 1 1 59 59 ILE N N 59 117.672 117.672 119.257 -1.585 17588 308 1 1 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.924 -0.251 17588 309 1 1 . 1 1 59 59 ILE C C 59 177.728 177.728 178.373 -0.645 17588 310 1 1 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.282 -0.304 17588 311 1 1 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.969 -0.156 17588 312 1 1 . 1 1 59 59 ILE H H 59 7.547 7.547 7.678 -0.131 17588 313 1 1 . 1 1 60 60 MET N N 60 117.653 117.653 117.714 -0.061 17588 314 1 1 . 1 1 60 60 MET HA H 60 4.098 4.098 3.947 0.151 17588 315 1 1 . 1 1 60 60 MET C C 60 178.085 178.085 178.266 -0.181 17588 316 1 1 . 1 1 60 60 MET CA C 60 58.060 58.060 59.149 -1.089 17588 317 1 1 . 1 1 60 60 MET CB C 60 32.178 32.178 32.331 -0.153 17588 318 1 1 . 1 1 60 60 MET H H 60 7.718 7.718 8.030 -0.312 17588 319 1 1 . 1 1 61 61 ALA N N 61 118.874 118.874 119.027 -0.153 17588 320 1 1 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.280 -0.006 17588 321 1 1 . 1 1 61 61 ALA C C 61 177.758 177.758 178.267 -0.509 17588 322 1 1 . 1 1 61 61 ALA CA C 61 53.442 53.442 53.000 0.442 17588 323 1 1 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.122 -0.053 17588 324 1 1 . 1 1 61 61 ALA H H 61 7.513 7.513 7.560 -0.047 17588 325 1 1 . 1 1 62 62 ASP N N 62 115.735 115.735 119.420 -3.685 17588 326 1 1 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.208 -0.275 17588 327 1 1 . 1 1 62 62 ASP C C 62 172.960 172.960 175.111 -2.151 17588 328 1 1 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.433 -0.309 17588 329 1 1 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.183 0.201 17588 330 1 1 . 1 1 62 62 ASP H H 62 7.615 7.615 7.928 -0.313 17588 331 1 1 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.377 0.069 17588 332 1 1 . 1 1 63 63 PRO C C 63 179.157 179.157 177.042 2.115 17588 333 1 1 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.463 -0.064 17588 334 1 1 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.161 0.099 17588 335 1 1 . 1 1 64 64 ASN N N 64 115.566 115.566 112.964 2.602 17588 336 1 1 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.517 0.035 17588 337 1 1 . 1 1 64 64 ASN C C 64 176.867 176.867 176.166 0.701 17588 338 1 1 . 1 1 64 64 ASN CA C 64 55.321 55.321 54.326 0.995 17588 339 1 1 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.502 0.399 17588 340 1 1 . 1 1 64 64 ASN H H 64 8.094 8.094 8.740 -0.646 17588 341 1 1 . 1 1 65 65 LYS N N 65 118.691 118.691 119.895 -1.204 17588 342 1 1 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.238 -0.060 17588 343 1 1 . 1 1 65 65 LYS C C 65 175.844 175.844 177.463 -1.619 17588 344 1 1 . 1 1 65 65 LYS CA C 65 56.234 56.234 57.324 -1.090 17588 345 1 1 . 1 1 65 65 LYS CB C 65 32.877 32.877 32.453 0.424 17588 346 1 1 . 1 1 65 65 LYS H H 65 8.185 8.185 7.420 0.765 17588 347 1 1 . 1 1 66 66 ALA N N 66 120.147 120.147 122.076 -1.929 17588 348 1 1 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.319 -0.277 17588 349 1 1 . 1 1 66 66 ALA C C 66 176.697 176.697 178.237 -1.540 17588 350 1 1 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.260 0.552 17588 351 1 1 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.512 0.723 17588 352 1 1 . 1 1 66 66 ALA H H 66 7.233 7.233 7.769 -0.536 17588 353 1 1 . 1 1 67 67 ASP N N 67 114.524 114.524 116.708 -2.184 17588 354 1 1 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.152 0.021 17588 355 1 1 . 1 1 67 67 ASP C C 67 178.071 178.071 178.095 -0.024 17588 356 1 1 . 1 1 67 67 ASP CA C 67 58.368 58.368 56.722 1.646 17588 357 1 1 . 1 1 67 67 ASP CB C 67 40.644 40.644 39.610 1.034 17588 358 1 1 . 1 1 67 67 ASP H H 67 8.114 8.114 8.531 -0.417 17588 359 1 1 . 1 1 68 68 GLU N N 68 117.486 117.486 120.534 -3.048 17588 360 1 1 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.955 -0.062 17588 361 1 1 . 1 1 68 68 GLU C C 68 178.885 178.885 178.676 0.209 17588 362 1 1 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.892 -0.147 17588 363 1 1 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.212 0.449 17588 364 1 1 . 1 1 68 68 GLU H H 68 7.846 7.846 7.488 0.358 17588 365 1 1 . 1 1 69 69 VAL N N 69 120.957 120.957 119.881 1.076 17588 366 1 1 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.249 -0.203 17588 367 1 1 . 1 1 69 69 VAL C C 69 176.618 176.618 177.828 -1.210 17588 368 1 1 . 1 1 69 69 VAL CA C 69 66.453 66.453 65.954 0.500 17588 369 1 1 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.746 0.293 17588 370 1 1 . 1 1 69 69 VAL H H 69 7.325 7.325 7.803 -0.478 17588 371 1 1 . 1 1 70 70 TYR N N 70 117.638 117.638 117.946 -0.308 17588 372 1 1 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.019 0.155 17588 373 1 1 . 1 1 70 70 TYR C C 70 178.493 178.493 178.124 0.369 17588 374 1 1 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.226 -2.745 17588 375 1 1 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.356 -2.493 17588 376 1 1 . 1 1 70 70 TYR H H 70 8.483 8.483 7.810 0.673 17588 377 1 1 . 1 1 71 71 LYS N N 71 117.283 117.283 117.900 -0.617 17588 378 1 1 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.184 0.030 17588 379 1 1 . 1 1 71 71 LYS C C 71 178.790 178.790 179.236 -0.446 17588 380 1 1 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.002 0.791 17588 381 1 1 . 1 1 71 71 LYS CB C 71 32.507 32.507 31.979 0.528 17588 382 1 1 . 1 1 71 71 LYS H H 71 7.754 7.754 7.562 0.192 17588 383 1 1 . 1 1 72 72 LYS N N 72 120.053 120.053 120.355 -0.302 17588 384 1 1 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.998 0.143 17588 385 1 1 . 1 1 72 72 LYS C C 72 180.399 180.399 179.156 1.243 17588 386 1 1 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.397 0.331 17588 387 1 1 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.227 -0.214 17588 388 1 1 . 1 1 72 72 LYS H H 72 7.386 7.386 7.948 -0.562 17588 389 1 1 . 1 1 73 73 TRP N N 73 121.910 121.910 120.269 1.641 17588 390 1 1 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.532 -0.019 17588 391 1 1 . 1 1 73 73 TRP C C 73 177.981 177.981 178.776 -0.795 17588 392 1 1 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.370 -1.455 17588 393 1 1 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.546 1.016 17588 394 1 1 . 1 1 73 73 TRP H H 73 8.659 8.659 8.109 0.550 17588 395 1 1 . 1 1 74 74 ALA N N 74 123.471 123.471 120.898 2.573 17588 396 1 1 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.285 0.207 17588 397 1 1 . 1 1 74 74 ALA C C 74 182.881 182.881 179.881 3.000 17588 398 1 1 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.099 0.251 17588 399 1 1 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.548 -0.156 17588 400 1 1 . 1 1 74 74 ALA H H 74 9.137 9.137 8.385 0.752 17588 401 1 1 . 1 1 75 75 ASP N N 75 121.896 121.896 117.090 4.806 17588 402 1 1 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.494 -0.030 17588 403 1 1 . 1 1 75 75 ASP C C 75 178.714 178.714 178.234 0.480 17588 404 1 1 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.669 0.425 17588 405 1 1 . 1 1 75 75 ASP CB C 75 40.585 40.585 41.160 -0.575 17588 406 1 1 . 1 1 75 75 ASP H H 75 8.804 8.804 7.887 0.917 17588 407 1 1 . 1 1 76 76 LYS N N 76 118.966 118.966 117.209 1.757 17588 408 1 1 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.093 -0.064 17588 409 1 1 . 1 1 76 76 LYS C C 76 176.868 176.868 177.726 -0.858 17588 410 1 1 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.883 -0.386 17588 411 1 1 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.935 -1.250 17588 412 1 1 . 1 1 76 76 LYS H H 76 7.630 7.630 8.121 -0.491 17588 413 1 1 . 1 1 77 77 GLY N N 77 107.310 107.310 105.245 2.065 17588 414 1 1 . 1 1 77 77 GLY C C 77 175.407 175.407 174.051 1.356 17588 415 1 1 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.699 0.490 17588 416 1 1 . 1 1 77 77 GLY H H 77 7.901 7.901 7.840 0.061 17588 417 1 1 . 1 1 78 78 TYR N N 78 117.917 117.917 119.786 -1.869 17588 418 1 1 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.877 0.415 17588 419 1 1 . 1 1 78 78 TYR C C 78 178.422 178.422 175.757 2.665 17588 420 1 1 . 1 1 78 78 TYR CA C 78 55.545 55.545 57.229 -1.684 17588 421 1 1 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.320 -3.539 17588 422 1 1 . 1 1 78 78 TYR H H 78 7.506 7.506 7.815 -0.309 17588 423 1 1 . 1 1 79 79 THR N N 79 119.420 119.420 112.026 7.394 17588 424 1 1 . 1 1 79 79 THR HA H 79 4.518 4.518 4.851 -0.333 17588 425 1 1 . 1 1 79 79 THR C C 79 175.648 175.648 175.237 0.411 17588 426 1 1 . 1 1 79 79 THR CA C 79 60.027 60.027 60.185 -0.158 17588 427 1 1 . 1 1 79 79 THR CB C 79 71.622 71.622 70.247 1.375 17588 428 1 1 . 1 1 79 79 THR H H 79 8.957 8.957 8.348 0.609 17588 429 1 1 . 1 1 80 80 LEU N N 80 119.655 119.655 123.989 -4.334 17588 430 1 1 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.008 0.172 17588 431 1 1 . 1 1 80 80 LEU C C 80 180.085 180.085 178.682 1.403 17588 432 1 1 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.435 0.478 17588 433 1 1 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.660 -2.007 17588 434 1 1 . 1 1 80 80 LEU H H 80 9.005 9.005 8.914 0.091 17588 435 1 1 . 1 1 81 81 THR N N 81 115.259 115.259 113.799 1.460 17588 436 1 1 . 1 1 81 81 THR HA H 81 3.939 3.939 3.830 0.109 17588 437 1 1 . 1 1 81 81 THR C C 81 177.000 177.000 176.648 0.352 17588 438 1 1 . 1 1 81 81 THR CA C 81 66.349 66.349 66.147 0.202 17588 439 1 1 . 1 1 81 81 THR CB C 81 68.591 68.591 67.813 0.778 17588 440 1 1 . 1 1 81 81 THR H H 81 8.135 8.135 7.831 0.304 17588 441 1 1 . 1 1 82 82 GLN N N 82 121.304 121.304 119.783 1.521 17588 442 1 1 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.603 0.050 17588 443 1 1 . 1 1 82 82 GLN C C 82 178.354 178.354 177.862 0.492 17588 444 1 1 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.184 0.456 17588 445 1 1 . 1 1 82 82 GLN CB C 82 28.914 28.914 27.917 0.997 17588 446 1 1 . 1 1 82 82 GLN H H 82 7.641 7.641 7.792 -0.151 17588 447 1 1 . 1 1 83 83 MET N N 83 117.464 117.464 119.610 -2.146 17588 448 1 1 . 1 1 83 83 MET HA H 83 4.425 4.425 3.871 0.554 17588 449 1 1 . 1 1 83 83 MET C C 83 177.906 177.906 178.252 -0.346 17588 450 1 1 . 1 1 83 83 MET CA C 83 55.462 55.462 57.824 -2.362 17588 451 1 1 . 1 1 83 83 MET CB C 83 29.014 29.014 31.933 -2.919 17588 452 1 1 . 1 1 83 83 MET H H 83 8.665 8.665 8.384 0.281 17588 453 1 1 . 1 1 84 84 SER N N 84 114.879 114.879 114.625 0.254 17588 454 1 1 . 1 1 84 84 SER HA H 84 3.689 3.689 3.630 0.059 17588 455 1 1 . 1 1 84 84 SER C C 84 176.666 176.666 176.286 0.380 17588 456 1 1 . 1 1 84 84 SER CA C 84 61.347 61.347 61.785 -0.438 17588 457 1 1 . 1 1 84 84 SER CB C 84 62.356 62.356 62.855 -0.499 17588 458 1 1 . 1 1 84 84 SER H H 84 8.607 8.607 8.189 0.418 17588 459 1 1 . 1 1 85 85 ASN N N 85 117.904 117.904 118.571 -0.667 17588 460 1 1 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.284 0.131 17588 461 1 1 . 1 1 85 85 ASN C C 85 177.997 177.997 177.895 0.102 17588 462 1 1 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.957 -0.004 17588 463 1 1 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.800 0.460 17588 464 1 1 . 1 1 85 85 ASN H H 85 7.204 7.204 7.664 -0.460 17588 465 1 1 . 1 1 86 86 PHE N N 86 118.316 118.316 117.844 0.472 17588 466 1 1 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.356 0.072 17588 467 1 1 . 1 1 86 86 PHE C C 86 177.478 177.478 176.543 0.935 17588 468 1 1 . 1 1 86 86 PHE CA C 86 58.394 58.394 59.413 -1.019 17588 469 1 1 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.838 -0.003 17588 470 1 1 . 1 1 86 86 PHE H H 86 8.367 8.367 7.499 0.868 17588 471 1 1 . 1 1 87 87 LEU N N 87 112.533 112.533 116.608 -4.075 17588 472 1 1 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.075 0.025 17588 473 1 1 . 1 1 87 87 LEU C C 87 176.474 176.474 178.120 -1.646 17588 474 1 1 . 1 1 87 87 LEU CA C 87 54.549 54.549 55.520 -0.972 17588 475 1 1 . 1 1 87 87 LEU CB C 87 41.371 41.371 41.291 0.080 17588 476 1 1 . 1 1 87 87 LEU H H 87 7.778 7.778 7.981 -0.203 17588 477 1 1 . 1 1 88 88 LYS N N 88 119.798 119.798 120.210 -0.412 17588 478 1 1 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.015 0.233 17588 479 1 1 . 1 1 88 88 LYS C C 88 176.594 176.594 177.815 -1.221 17588 480 1 1 . 1 1 88 88 LYS CA C 88 57.674 57.674 58.554 -0.880 17588 481 1 1 . 1 1 88 88 LYS CB C 88 32.671 32.671 32.318 0.353 17588 482 1 1 . 1 1 88 88 LYS H H 88 7.328 7.328 8.059 -0.731 17588 483 1 1 . 1 1 89 89 SER N N 89 117.937 117.937 112.723 5.214 17588 484 1 1 . 1 1 89 89 SER HA H 89 4.785 4.785 4.232 0.553 17588 485 1 1 . 1 1 89 89 SER CA C 89 57.375 57.375 58.796 -1.421 17588 486 1 1 . 1 1 89 89 SER CB C 89 64.838 64.838 62.492 2.346 17588 487 1 1 . 1 1 89 89 SER H H 89 8.197 8.197 8.600 -0.403 17588 488 1 1 . 1 1 90 90 LYS HA H 90 4.154 4.154 4.024 0.130 17588 489 1 1 . 1 1 90 90 LYS C C 90 177.472 177.472 175.442 2.030 17588 490 1 1 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.447 0.947 17588 491 1 1 . 1 1 90 90 LYS CB C 90 31.767 31.767 30.937 0.830 17588 492 1 1 . 1 1 90 90 LYS H H 90 7.981 7.981 8.336 -0.355 17588 493 1 1 . 1 1 91 91 THR N N 91 113.435 113.435 114.311 -0.876 17588 494 1 1 . 1 1 91 91 THR HA H 91 4.342 4.342 4.510 -0.168 17588 495 1 1 . 1 1 91 91 THR C C 91 174.236 174.236 174.281 -0.045 17588 496 1 1 . 1 1 91 91 THR CA C 91 61.203 61.203 61.229 -0.026 17588 497 1 1 . 1 1 91 91 THR CB C 91 69.254 69.254 71.209 -1.955 17588 498 1 1 . 1 1 91 91 THR H H 91 7.942 7.942 7.534 0.408 17588 499 1 1 . 1 1 92 92 ALA N N 92 129.685 129.685 126.216 3.469 17588 500 1 1 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.417 -0.239 17588 501 1 1 . 1 1 92 92 ALA C C 92 178.710 178.710 176.970 1.740 17588 502 1 1 . 1 1 92 92 ALA CA C 92 53.583 53.583 52.489 1.094 17588 503 1 1 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.872 -0.791 17588 504 1 1 . 1 1 92 92 ALA H H 92 8.603 8.603 8.599 0.004 17588 505 1 1 . 1 1 93 93 GLY N N 93 109.919 109.919 105.417 4.502 17588 506 1 1 . 1 1 93 93 GLY C C 93 176.310 176.310 173.809 2.501 17588 507 1 1 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.260 0.245 17588 508 1 1 . 1 1 93 93 GLY H H 93 8.823 8.823 7.749 1.074 17588 509 1 1 . 1 1 94 94 LYS N N 94 120.949 120.949 123.983 -3.034 17588 510 1 1 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.287 -0.495 17588 511 1 1 . 1 1 94 94 LYS C C 94 177.630 177.630 176.614 1.016 17588 512 1 1 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.300 3.306 17588 513 1 1 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.538 -0.291 17588 514 1 1 . 1 1 94 94 LYS H H 94 7.501 7.501 8.314 -0.813 17588 515 1 1 . 1 1 95 95 TYR N N 95 113.034 113.034 119.544 -6.510 17588 516 1 1 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.822 0.225 17588 517 1 1 . 1 1 95 95 TYR C C 95 176.649 176.649 175.029 1.620 17588 518 1 1 . 1 1 95 95 TYR CA C 95 56.936 56.936 57.078 -0.142 17588 519 1 1 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.851 1.149 17588 520 1 1 . 1 1 95 95 TYR H H 95 8.670 8.670 8.339 0.331 17588 521 1 1 . 1 1 96 96 ASP N N 96 123.097 123.097 122.066 1.031 17588 522 1 1 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.605 -0.276 17588 523 1 1 . 1 1 96 96 ASP C C 96 178.087 178.087 177.703 0.384 17588 524 1 1 . 1 1 96 96 ASP CA C 96 58.619 58.619 56.876 1.743 17588 525 1 1 . 1 1 96 96 ASP CB C 96 39.570 39.570 41.442 -1.872 17588 526 1 1 . 1 1 96 96 ASP H H 96 7.756 7.756 8.255 -0.499 17588 527 1 1 . 1 1 97 97 ARG N N 97 118.384 118.384 120.140 -1.756 17588 528 1 1 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.226 0.036 17588 529 1 1 . 1 1 97 97 ARG C C 97 179.927 179.927 178.338 1.589 17588 530 1 1 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.209 0.537 17588 531 1 1 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.177 0.617 17588 532 1 1 . 1 1 97 97 ARG H H 97 8.897 8.897 8.728 0.169 17588 533 1 1 . 1 1 98 98 VAL N N 98 119.642 119.642 118.653 0.989 17588 534 1 1 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.269 -0.331 17588 535 1 1 . 1 1 98 98 VAL C C 98 179.630 179.630 178.136 1.494 17588 536 1 1 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.152 0.652 17588 537 1 1 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.659 0.395 17588 538 1 1 . 1 1 98 98 VAL H H 98 7.578 7.578 8.088 -0.510 17588 539 1 1 . 1 1 99 99 TYR N N 99 122.432 122.432 121.283 1.149 17588 540 1 1 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.123 -0.189 17588 541 1 1 . 1 1 99 99 TYR C C 99 176.400 176.400 177.476 -1.076 17588 542 1 1 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.908 0.998 17588 543 1 1 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.430 -0.108 17588 544 1 1 . 1 1 99 99 TYR H H 99 8.635 8.635 8.120 0.515 17588 545 1 1 . 1 1 100 100 ASN N N 100 117.211 117.211 117.162 0.049 17588 546 1 1 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.009 0.277 17588 547 1 1 . 1 1 100 100 ASN C C 100 178.488 178.488 177.228 1.260 17588 548 1 1 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.491 -0.635 17588 549 1 1 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.841 0.008 17588 550 1 1 . 1 1 100 100 ASN H H 100 9.024 9.024 8.633 0.391 17588 551 1 1 . 1 1 101 101 GLY N N 101 105.413 105.413 108.703 -3.290 17588 552 1 1 . 1 1 101 101 GLY C C 101 175.833 175.833 175.753 0.080 17588 553 1 1 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.175 -0.143 17588 554 1 1 . 1 1 101 101 GLY H H 101 7.908 7.908 7.731 0.177 17588 555 1 1 . 1 1 102 102 TYR N N 102 126.373 126.373 123.000 3.373 17588 556 1 1 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.639 -0.172 17588 557 1 1 . 1 1 102 102 TYR C C 102 176.016 176.016 177.722 -1.706 17588 558 1 1 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.127 -0.573 17588 559 1 1 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.425 -0.535 17588 560 1 1 . 1 1 102 102 TYR H H 102 7.581 7.581 7.511 0.070 17588 561 1 1 . 1 1 103 103 VAL N N 103 117.870 117.870 118.762 -0.892 17588 562 1 1 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.255 -0.113 17588 563 1 1 . 1 1 103 103 VAL C C 103 178.786 178.786 178.249 0.537 17588 564 1 1 . 1 1 103 103 VAL CA C 103 66.577 66.577 67.025 -0.448 17588 565 1 1 . 1 1 103 103 VAL CB C 103 31.747 31.747 31.029 0.718 17588 566 1 1 . 1 1 103 103 VAL H H 103 7.510 7.510 7.508 0.002 17588 567 1 1 . 1 1 104 104 ILE N N 104 116.770 116.770 118.671 -1.901 17588 568 1 1 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.534 0.158 17588 569 1 1 . 1 1 104 104 ILE C C 104 178.703 178.703 177.681 1.022 17588 570 1 1 . 1 1 104 104 ILE CA C 104 63.837 63.837 65.039 -1.202 17588 571 1 1 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.536 0.396 17588 572 1 1 . 1 1 104 104 ILE H H 104 7.056 7.056 7.494 -0.438 17588 573 1 1 . 1 1 105 105 HIS N N 105 121.324 121.324 119.007 2.317 17588 574 1 1 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.200 -0.248 17588 575 1 1 . 1 1 105 105 HIS C C 105 176.974 176.974 177.040 -0.066 17588 576 1 1 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.499 0.651 17588 577 1 1 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.712 0.812 17588 578 1 1 . 1 1 105 105 HIS H H 105 7.864 7.864 7.609 0.255 17588 579 1 1 . 1 1 106 106 LEU N N 106 115.126 115.126 118.268 -3.142 17588 580 1 1 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.451 -0.616 17588 581 1 1 . 1 1 106 106 LEU C C 106 177.315 177.315 177.832 -0.517 17588 582 1 1 . 1 1 106 106 LEU CA C 106 55.707 55.707 56.196 -0.489 17588 583 1 1 . 1 1 106 106 LEU CB C 106 42.041 42.041 42.280 -0.239 17588 584 1 1 . 1 1 106 106 LEU H H 106 7.517 7.517 7.486 0.031 17588 585 1 1 . 1 1 107 107 ASP N N 107 119.221 119.221 120.140 -0.919 17588 586 1 1 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.320 0.181 17588 587 1 1 . 1 1 107 107 ASP C C 107 175.224 175.224 177.000 -1.776 17588 588 1 1 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.958 -1.340 17588 589 1 1 . 1 1 107 107 ASP CB C 107 40.765 40.765 41.093 -0.328 17588 590 1 1 . 1 1 107 107 ASP H H 107 7.512 7.512 7.585 -0.073 17588 591 1 2 . 1 1 6 6 SER HA H 6 4.480 4.480 5.140 -0.660 17588 592 1 2 . 1 1 6 6 SER C C 6 174.995 174.995 172.977 2.018 17588 593 1 2 . 1 1 6 6 SER CA C 6 58.675 58.675 57.687 0.988 17588 594 1 2 . 1 1 6 6 SER CB C 6 63.822 63.822 64.986 -1.164 17588 595 1 2 . 1 1 7 7 GLY N N 7 110.458 110.458 109.508 0.950 17588 596 1 2 . 1 1 7 7 GLY C C 7 173.853 173.853 172.623 1.230 17588 597 1 2 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.709 0.638 17588 598 1 2 . 1 1 7 7 GLY H H 7 8.394 8.394 8.878 -0.484 17588 599 1 2 . 1 1 8 8 ASN N N 8 119.020 119.020 118.245 0.775 17588 600 1 2 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.750 0.007 17588 601 1 2 . 1 1 8 8 ASN C C 8 175.389 175.389 173.497 1.892 17588 602 1 2 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.455 0.776 17588 603 1 2 . 1 1 8 8 ASN CB C 8 38.959 38.959 40.531 -1.572 17588 604 1 2 . 1 1 8 8 ASN H H 8 8.308 8.308 8.333 -0.025 17588 605 1 2 . 1 1 9 9 VAL N N 9 120.281 120.281 120.287 -0.006 17588 606 1 2 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.343 -0.228 17588 607 1 2 . 1 1 9 9 VAL C C 9 175.980 175.980 175.369 0.611 17588 608 1 2 . 1 1 9 9 VAL CA C 9 62.468 62.468 61.953 0.515 17588 609 1 2 . 1 1 9 9 VAL CB C 9 32.712 32.712 33.474 -0.762 17588 610 1 2 . 1 1 9 9 VAL H H 9 8.173 8.173 8.426 -0.253 17588 611 1 2 . 1 1 10 10 ASP N N 10 123.840 123.840 124.913 -1.073 17588 612 1 2 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.878 -0.254 17588 613 1 2 . 1 1 10 10 ASP C C 10 176.599 176.599 175.371 1.228 17588 614 1 2 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.714 0.676 17588 615 1 2 . 1 1 10 10 ASP CB C 10 41.343 41.343 42.326 -0.983 17588 616 1 2 . 1 1 10 10 ASP H H 10 8.418 8.418 8.443 -0.025 17588 617 1 2 . 1 1 11 11 SER N N 11 117.003 117.003 115.107 1.896 17588 618 1 2 . 1 1 11 11 SER HA H 11 4.395 4.395 4.923 -0.528 17588 619 1 2 . 1 1 11 11 SER C C 11 174.834 174.834 172.669 2.165 17588 620 1 2 . 1 1 11 11 SER CA C 11 58.886 58.886 57.568 1.318 17588 621 1 2 . 1 1 11 11 SER CB C 11 63.740 63.740 64.419 -0.679 17588 622 1 2 . 1 1 11 11 SER H H 11 8.312 8.312 8.575 -0.263 17588 623 1 2 . 1 1 12 12 ASN N N 12 120.512 120.512 118.776 1.736 17588 624 1 2 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.807 -0.122 17588 625 1 2 . 1 1 12 12 ASN C C 12 175.646 175.646 174.041 1.605 17588 626 1 2 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.514 1.278 17588 627 1 2 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.189 -0.559 17588 628 1 2 . 1 1 12 12 ASN H H 12 8.511 8.511 8.374 0.137 17588 629 1 2 . 1 1 13 13 GLN N N 13 120.057 120.057 118.748 1.309 17588 630 1 2 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.537 -0.299 17588 631 1 2 . 1 1 13 13 GLN C C 13 175.988 175.988 174.671 1.317 17588 632 1 2 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.651 0.796 17588 633 1 2 . 1 1 13 13 GLN CB C 13 29.137 29.137 30.501 -1.364 17588 634 1 2 . 1 1 13 13 GLN H H 13 8.258 8.258 8.474 -0.216 17588 635 1 2 . 1 1 14 14 ASN N N 14 119.323 119.323 119.068 0.255 17588 636 1 2 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.734 -0.049 17588 637 1 2 . 1 1 14 14 ASN C C 14 175.552 175.552 174.481 1.071 17588 638 1 2 . 1 1 14 14 ASN CA C 14 53.565 53.565 53.018 0.547 17588 639 1 2 . 1 1 14 14 ASN CB C 14 38.763 38.763 39.770 -1.007 17588 640 1 2 . 1 1 14 14 ASN H H 14 8.377 8.377 8.402 -0.025 17588 641 1 2 . 1 1 15 15 LYS N N 15 121.938 121.938 118.044 3.894 17588 642 1 2 . 1 1 15 15 LYS HA H 15 4.214 4.214 3.931 0.283 17588 643 1 2 . 1 1 15 15 LYS C C 15 176.933 176.933 175.457 1.476 17588 644 1 2 . 1 1 15 15 LYS CA C 15 57.235 57.235 56.657 0.578 17588 645 1 2 . 1 1 15 15 LYS CB C 15 32.753 32.753 30.450 2.303 17588 646 1 2 . 1 1 15 15 LYS H H 15 8.224 8.224 8.548 -0.324 17588 647 1 2 . 1 1 16 16 ALA N N 16 123.956 123.956 123.108 0.848 17588 648 1 2 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.167 0.107 17588 649 1 2 . 1 1 16 16 ALA C C 16 178.593 178.593 177.696 0.897 17588 650 1 2 . 1 1 16 16 ALA CA C 16 53.442 53.442 52.154 1.288 17588 651 1 2 . 1 1 16 16 ALA CB C 16 18.863 18.863 19.750 -0.887 17588 652 1 2 . 1 1 16 16 ALA H H 16 8.292 8.292 8.220 0.072 17588 653 1 2 . 1 1 17 17 SER N N 17 114.462 114.462 118.931 -4.469 17588 654 1 2 . 1 1 17 17 SER HA H 17 4.365 4.365 4.237 0.128 17588 655 1 2 . 1 1 17 17 SER C C 17 175.370 175.370 174.981 0.389 17588 656 1 2 . 1 1 17 17 SER CA C 17 59.077 59.077 58.773 0.304 17588 657 1 2 . 1 1 17 17 SER CB C 17 63.383 63.383 62.714 0.669 17588 658 1 2 . 1 1 17 17 SER H H 17 8.200 8.200 8.304 -0.104 17588 659 1 2 . 1 1 18 18 MET N N 18 121.999 121.999 122.216 -0.217 17588 660 1 2 . 1 1 18 18 MET HA H 18 4.429 4.429 4.234 0.195 17588 661 1 2 . 1 1 18 18 MET C C 18 176.829 176.829 176.926 -0.097 17588 662 1 2 . 1 1 18 18 MET CA C 18 56.357 56.357 55.603 0.754 17588 663 1 2 . 1 1 18 18 MET CB C 18 32.630 32.630 33.219 -0.590 17588 664 1 2 . 1 1 18 18 MET H H 18 8.214 8.214 8.438 -0.224 17588 665 1 2 . 1 1 19 19 LEU N N 19 122.083 122.083 121.633 0.450 17588 666 1 2 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.223 0.033 17588 667 1 2 . 1 1 19 19 LEU C C 19 177.774 177.774 176.393 1.381 17588 668 1 2 . 1 1 19 19 LEU CA C 19 56.111 56.111 55.291 0.820 17588 669 1 2 . 1 1 19 19 LEU CB C 19 42.041 42.041 41.767 0.274 17588 670 1 2 . 1 1 19 19 LEU H H 19 8.076 8.076 8.226 -0.150 17588 671 1 2 . 1 1 20 20 GLN N N 20 120.123 120.123 127.136 -7.013 17588 672 1 2 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.512 -0.305 17588 673 1 2 . 1 1 20 20 GLN C C 20 176.166 176.166 174.277 1.889 17588 674 1 2 . 1 1 20 20 GLN CA C 20 56.409 56.409 55.103 1.306 17588 675 1 2 . 1 1 20 20 GLN CB C 20 29.196 29.196 29.440 -0.244 17588 676 1 2 . 1 1 20 20 GLN H H 20 8.174 8.174 8.585 -0.411 17588 677 1 2 . 1 1 21 21 ALA N N 21 124.216 124.216 127.331 -3.115 17588 678 1 2 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.642 -0.388 17588 679 1 2 . 1 1 21 21 ALA C C 21 178.034 178.034 176.721 1.313 17588 680 1 2 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.859 1.267 17588 681 1 2 . 1 1 21 21 ALA CB C 21 19.071 19.071 19.564 -0.494 17588 682 1 2 . 1 1 21 21 ALA H H 21 8.151 8.151 8.591 -0.441 17588 683 1 2 . 1 1 22 22 ARG N N 22 119.591 119.591 122.975 -3.384 17588 684 1 2 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.610 -0.302 17588 685 1 2 . 1 1 22 22 ARG C C 22 176.750 176.750 174.773 1.977 17588 686 1 2 . 1 1 22 22 ARG CA C 22 56.427 56.427 56.249 0.178 17588 687 1 2 . 1 1 22 22 ARG CB C 22 30.616 30.616 30.346 0.270 17588 688 1 2 . 1 1 22 22 ARG H H 22 8.147 8.147 8.805 -0.658 17588 689 1 2 . 1 1 23 23 LEU N N 23 122.553 122.553 121.378 1.175 17588 690 1 2 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.643 -0.369 17588 691 1 2 . 1 1 23 23 LEU C C 23 177.547 177.547 175.803 1.744 17588 692 1 2 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.392 1.298 17588 693 1 2 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.610 -1.528 17588 694 1 2 . 1 1 23 23 LEU H H 23 8.220 8.220 8.071 0.149 17588 695 1 2 . 1 1 24 24 ASN N N 24 118.666 118.666 123.066 -4.400 17588 696 1 2 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.927 -0.254 17588 697 1 2 . 1 1 24 24 ASN C C 24 175.246 175.246 174.305 0.941 17588 698 1 2 . 1 1 24 24 ASN CA C 24 53.565 53.565 53.529 0.035 17588 699 1 2 . 1 1 24 24 ASN CB C 24 38.836 38.836 39.197 -0.361 17588 700 1 2 . 1 1 24 24 ASN H H 24 8.351 8.351 8.573 -0.222 17588 701 1 2 . 1 1 25 25 ASP N N 25 120.897 120.897 125.635 -4.738 17588 702 1 2 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.703 -0.127 17588 703 1 2 . 1 1 25 25 ASP C C 25 176.732 176.732 175.547 1.185 17588 704 1 2 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.787 0.919 17588 705 1 2 . 1 1 25 25 ASP CB C 25 41.219 41.219 41.132 0.087 17588 706 1 2 . 1 1 25 25 ASP H H 25 8.234 8.234 8.641 -0.407 17588 707 1 2 . 1 1 26 26 GLU N N 26 121.168 121.168 123.731 -2.563 17588 708 1 2 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.550 -0.336 17588 709 1 2 . 1 1 26 26 GLU C C 26 176.857 176.857 175.504 1.353 17588 710 1 2 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.880 1.367 17588 711 1 2 . 1 1 26 26 GLU CB C 26 29.959 29.959 30.065 -0.106 17588 712 1 2 . 1 1 26 26 GLU H H 26 8.368 8.368 8.396 -0.028 17588 713 1 2 . 1 1 27 27 ALA N N 27 124.100 124.100 126.453 -2.353 17588 714 1 2 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.677 -0.360 17588 715 1 2 . 1 1 27 27 ALA C C 27 178.520 178.520 177.556 0.964 17588 716 1 2 . 1 1 27 27 ALA CA C 27 52.986 52.986 51.740 1.246 17588 717 1 2 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.817 -0.872 17588 718 1 2 . 1 1 27 27 ALA H H 27 8.289 8.289 8.525 -0.236 17588 719 1 2 . 1 1 28 28 GLY N N 28 107.844 107.844 107.717 0.127 17588 720 1 2 . 1 1 28 28 GLY C C 28 175.019 175.019 174.848 0.171 17588 721 1 2 . 1 1 28 28 GLY CA C 28 45.628 45.628 44.632 0.996 17588 722 1 2 . 1 1 28 28 GLY H H 28 8.315 8.315 8.313 0.002 17588 723 1 2 . 1 1 29 29 GLY N N 29 108.754 108.754 109.285 -0.531 17588 724 1 2 . 1 1 29 29 GLY C C 29 174.659 174.659 175.251 -0.592 17588 725 1 2 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.805 -0.318 17588 726 1 2 . 1 1 29 29 GLY H H 29 8.266 8.266 8.213 0.053 17588 727 1 2 . 1 1 30 30 THR N N 30 114.068 114.068 115.439 -1.371 17588 728 1 2 . 1 1 30 30 THR HA H 30 4.301 4.301 4.342 -0.041 17588 729 1 2 . 1 1 30 30 THR C C 30 174.789 174.789 174.295 0.494 17588 730 1 2 . 1 1 30 30 THR CA C 30 62.327 62.327 61.550 0.777 17588 731 1 2 . 1 1 30 30 THR CB C 30 69.553 69.553 69.281 0.272 17588 732 1 2 . 1 1 30 30 THR H H 30 8.111 8.111 7.977 0.134 17588 733 1 2 . 1 1 31 31 ARG N N 31 123.536 123.536 125.413 -1.877 17588 734 1 2 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.628 -0.329 17588 735 1 2 . 1 1 31 31 ARG C C 31 176.125 176.125 175.140 0.985 17588 736 1 2 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.368 1.094 17588 737 1 2 . 1 1 31 31 ARG CB C 31 30.657 30.657 30.340 0.317 17588 738 1 2 . 1 1 31 31 ARG H H 31 8.343 8.343 8.606 -0.263 17588 739 1 2 . 1 1 32 32 LEU N N 32 122.865 122.865 124.511 -1.646 17588 740 1 2 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.570 -0.251 17588 741 1 2 . 1 1 32 32 LEU C C 32 177.036 177.036 176.944 0.092 17588 742 1 2 . 1 1 32 32 LEU CA C 32 55.233 55.233 53.949 1.284 17588 743 1 2 . 1 1 32 32 LEU CB C 32 42.264 42.264 42.978 -0.714 17588 744 1 2 . 1 1 32 32 LEU H H 32 8.203 8.203 8.456 -0.253 17588 745 1 2 . 1 1 33 33 LEU N N 33 123.054 123.054 123.673 -0.619 17588 746 1 2 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.582 -0.246 17588 747 1 2 . 1 1 33 33 LEU C C 33 177.022 177.022 176.036 0.986 17588 748 1 2 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.645 0.424 17588 749 1 2 . 1 1 33 33 LEU CB C 33 42.288 42.288 41.353 0.935 17588 750 1 2 . 1 1 33 33 LEU H H 33 8.150 8.150 8.438 -0.288 17588 751 1 2 . 1 1 34 34 ARG N N 34 122.226 122.226 123.829 -1.603 17588 752 1 2 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.573 -0.236 17588 753 1 2 . 1 1 34 34 ARG C C 34 175.950 175.950 174.544 1.406 17588 754 1 2 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.548 0.370 17588 755 1 2 . 1 1 34 34 ARG CB C 34 30.781 30.781 32.640 -1.859 17588 756 1 2 . 1 1 34 34 ARG H H 34 8.248 8.248 8.281 -0.033 17588 757 1 2 . 1 1 35 35 VAL N N 35 121.294 121.294 118.976 2.318 17588 758 1 2 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.320 -0.279 17588 759 1 2 . 1 1 35 35 VAL C C 35 175.709 175.709 175.878 -0.169 17588 760 1 2 . 1 1 35 35 VAL CA C 35 62.240 62.240 62.128 0.112 17588 761 1 2 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.310 0.443 17588 762 1 2 . 1 1 35 35 VAL H H 35 8.107 8.107 8.208 -0.101 17588 763 1 2 . 1 1 36 36 HIS N N 36 123.522 123.522 126.357 -2.835 17588 764 1 2 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.628 -0.030 17588 765 1 2 . 1 1 36 36 HIS C C 36 174.825 174.825 174.255 0.570 17588 766 1 2 . 1 1 36 36 HIS CA C 36 56.111 56.111 55.514 0.597 17588 767 1 2 . 1 1 36 36 HIS CB C 36 30.944 30.944 29.469 1.475 17588 768 1 2 . 1 1 36 36 HIS H H 36 8.410 8.410 8.755 -0.345 17588 769 1 2 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.688 -0.088 17588 770 1 2 . 1 1 37 37 HIS C C 37 175.173 175.173 175.237 -0.064 17588 771 1 2 . 1 1 37 37 HIS CA C 37 56.217 56.217 55.839 0.378 17588 772 1 2 . 1 1 37 37 HIS CB C 37 31.027 31.027 30.240 0.787 17588 773 1 2 . 1 1 38 38 GLU N N 38 122.826 122.826 122.962 -0.136 17588 774 1 2 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.094 0.161 17588 775 1 2 . 1 1 38 38 GLU C C 38 176.483 176.483 174.902 1.581 17588 776 1 2 . 1 1 38 38 GLU CA C 38 56.919 56.919 56.960 -0.041 17588 777 1 2 . 1 1 38 38 GLU CB C 38 30.328 30.328 28.564 1.764 17588 778 1 2 . 1 1 38 38 GLU H H 38 8.569 8.569 8.963 -0.394 17588 779 1 2 . 1 1 39 39 SER N N 39 116.398 116.398 114.775 1.623 17588 780 1 2 . 1 1 39 39 SER HA H 39 4.454 4.454 4.543 -0.089 17588 781 1 2 . 1 1 39 39 SER C C 39 174.497 174.497 174.399 0.098 17588 782 1 2 . 1 1 39 39 SER CA C 39 58.552 58.552 57.929 0.623 17588 783 1 2 . 1 1 39 39 SER CB C 39 64.028 64.028 65.019 -0.991 17588 784 1 2 . 1 1 39 39 SER H H 39 8.444 8.444 7.950 0.494 17588 785 1 2 . 1 1 40 40 ASP N N 40 122.831 122.831 119.768 3.063 17588 786 1 2 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.437 0.235 17588 787 1 2 . 1 1 40 40 ASP C C 40 176.783 176.783 174.733 2.050 17588 788 1 2 . 1 1 40 40 ASP CA C 40 54.759 54.759 55.169 -0.410 17588 789 1 2 . 1 1 40 40 ASP CB C 40 41.014 41.014 40.563 0.451 17588 790 1 2 . 1 1 40 40 ASP H H 40 8.469 8.469 8.686 -0.217 17588 791 1 2 . 1 1 41 41 THR N N 41 113.679 113.679 115.609 -1.930 17588 792 1 2 . 1 1 41 41 THR HA H 41 4.181 4.181 4.557 -0.376 17588 793 1 2 . 1 1 41 41 THR C C 41 175.314 175.314 174.355 0.959 17588 794 1 2 . 1 1 41 41 THR CA C 41 62.819 62.819 61.563 1.256 17588 795 1 2 . 1 1 41 41 THR CB C 41 69.576 69.576 69.931 -0.355 17588 796 1 2 . 1 1 41 41 THR H H 41 8.066 8.066 8.075 -0.009 17588 797 1 2 . 1 1 42 42 GLU N N 42 122.776 122.776 127.215 -4.439 17588 798 1 2 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.362 -0.154 17588 799 1 2 . 1 1 42 42 GLU C C 42 177.129 177.129 177.158 -0.029 17588 800 1 2 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.095 1.227 17588 801 1 2 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.272 -0.272 17588 802 1 2 . 1 1 42 42 GLU H H 42 8.343 8.343 8.670 -0.327 17588 803 1 2 . 1 1 43 43 GLU N N 43 121.898 121.898 123.902 -2.004 17588 804 1 2 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.163 0.048 17588 805 1 2 . 1 1 43 43 GLU C C 43 177.313 177.313 178.733 -1.420 17588 806 1 2 . 1 1 43 43 GLU CA C 43 57.453 57.453 60.169 -2.716 17588 807 1 2 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.515 0.444 17588 808 1 2 . 1 1 43 43 GLU H H 43 8.397 8.397 9.026 -0.629 17588 809 1 2 . 1 1 44 44 ARG N N 44 121.336 121.336 118.376 2.960 17588 810 1 2 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.087 0.140 17588 811 1 2 . 1 1 44 44 ARG C C 44 178.048 178.048 178.878 -0.830 17588 812 1 2 . 1 1 44 44 ARG CA C 44 57.779 57.779 58.928 -1.149 17588 813 1 2 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.631 0.735 17588 814 1 2 . 1 1 44 44 ARG H H 44 8.401 8.401 8.579 -0.178 17588 815 1 2 . 1 1 45 45 GLY N N 45 109.098 109.098 105.812 3.286 17588 816 1 2 . 1 1 45 45 GLY C C 45 175.522 175.522 175.592 -0.070 17588 817 1 2 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.814 0.586 17588 818 1 2 . 1 1 45 45 GLY H H 45 8.536 8.536 8.132 0.404 17588 819 1 2 . 1 1 46 46 PHE N N 46 121.592 121.592 124.249 -2.657 17588 820 1 2 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.176 0.241 17588 821 1 2 . 1 1 46 46 PHE C C 46 177.561 177.561 177.269 0.292 17588 822 1 2 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.042 -0.962 17588 823 1 2 . 1 1 46 46 PHE CB C 46 38.911 38.911 38.933 -0.022 17588 824 1 2 . 1 1 46 46 PHE H H 46 8.071 8.071 8.594 -0.523 17588 825 1 2 . 1 1 47 47 LEU N N 47 121.344 121.344 118.380 2.964 17588 826 1 2 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.195 0.847 17588 827 1 2 . 1 1 47 47 LEU C C 47 179.621 179.621 178.639 0.982 17588 828 1 2 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.770 -0.310 17588 829 1 2 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.369 0.268 17588 830 1 2 . 1 1 47 47 LEU H H 47 8.215 8.215 8.050 0.165 17588 831 1 2 . 1 1 48 48 GLU N N 48 121.986 121.986 118.580 3.406 17588 832 1 2 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.639 0.349 17588 833 1 2 . 1 1 48 48 GLU C C 48 177.573 177.573 178.372 -0.799 17588 834 1 2 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.181 0.126 17588 835 1 2 . 1 1 48 48 GLU CB C 48 29.648 29.648 28.942 0.706 17588 836 1 2 . 1 1 48 48 GLU H H 48 8.225 8.225 7.877 0.348 17588 837 1 2 . 1 1 49 49 LYS N N 49 118.759 118.759 117.807 0.952 17588 838 1 2 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.208 0.035 17588 839 1 2 . 1 1 49 49 LYS C C 49 177.659 177.659 178.516 -0.857 17588 840 1 2 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.463 0.423 17588 841 1 2 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.117 0.185 17588 842 1 2 . 1 1 49 49 LYS H H 49 7.790 7.790 8.094 -0.304 17588 843 1 2 . 1 1 50 50 ALA N N 50 120.023 120.023 120.972 -0.949 17588 844 1 2 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.859 0.100 17588 845 1 2 . 1 1 50 50 ALA C C 50 180.486 180.486 179.239 1.247 17588 846 1 2 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.820 0.062 17588 847 1 2 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.613 0.264 17588 848 1 2 . 1 1 50 50 ALA H H 50 7.798 7.798 7.746 0.052 17588 849 1 2 . 1 1 51 51 ALA N N 51 121.955 121.955 121.302 0.653 17588 850 1 2 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.870 0.243 17588 851 1 2 . 1 1 51 51 ALA C C 51 180.762 180.762 179.525 1.237 17588 852 1 2 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.031 0.080 17588 853 1 2 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.007 0.034 17588 854 1 2 . 1 1 51 51 ALA H H 51 7.809 7.809 7.432 0.377 17588 855 1 2 . 1 1 52 52 VAL N N 52 120.415 120.415 118.836 1.579 17588 856 1 2 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.596 0.054 17588 857 1 2 . 1 1 52 52 VAL C C 52 178.567 178.567 178.281 0.286 17588 858 1 2 . 1 1 52 52 VAL CA C 52 67.227 67.227 67.531 -0.304 17588 859 1 2 . 1 1 52 52 VAL CB C 52 31.110 31.110 31.014 0.096 17588 860 1 2 . 1 1 52 52 VAL H H 52 7.944 7.944 7.658 0.286 17588 861 1 2 . 1 1 53 53 LYS N N 53 119.231 119.231 118.792 0.439 17588 862 1 2 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.717 -0.153 17588 863 1 2 . 1 1 53 53 LYS C C 53 178.546 178.546 179.086 -0.540 17588 864 1 2 . 1 1 53 53 LYS CA C 53 60.720 60.720 58.977 1.743 17588 865 1 2 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.609 0.642 17588 866 1 2 . 1 1 53 53 LYS H H 53 8.132 8.132 7.888 0.244 17588 867 1 2 . 1 1 54 54 LYS N N 54 119.514 119.514 119.255 0.259 17588 868 1 2 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.970 0.023 17588 869 1 2 . 1 1 54 54 LYS C C 54 179.987 179.987 179.118 0.869 17588 870 1 2 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.356 0.881 17588 871 1 2 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.169 0.314 17588 872 1 2 . 1 1 54 54 LYS H H 54 7.956 7.956 8.246 -0.290 17588 873 1 2 . 1 1 55 55 MET N N 55 119.732 119.732 117.224 2.508 17588 874 1 2 . 1 1 55 55 MET HA H 55 4.251 4.251 4.079 0.172 17588 875 1 2 . 1 1 55 55 MET C C 55 177.536 177.536 178.502 -0.966 17588 876 1 2 . 1 1 55 55 MET CA C 55 58.396 58.396 58.081 0.315 17588 877 1 2 . 1 1 55 55 MET CB C 55 34.228 34.228 31.762 2.466 17588 878 1 2 . 1 1 55 55 MET H H 55 7.816 7.816 8.218 -0.402 17588 879 1 2 . 1 1 56 56 ALA N N 56 122.295 122.295 122.385 -0.090 17588 880 1 2 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.112 0.040 17588 881 1 2 . 1 1 56 56 ALA C C 56 179.615 179.615 179.539 0.076 17588 882 1 2 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.376 -0.038 17588 883 1 2 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.082 1.024 17588 884 1 2 . 1 1 56 56 ALA H H 56 8.724 8.724 8.143 0.581 17588 885 1 2 . 1 1 57 57 LYS N N 57 117.704 117.704 119.387 -1.683 17588 886 1 2 . 1 1 57 57 LYS HA H 57 4.084 4.084 3.979 0.105 17588 887 1 2 . 1 1 57 57 LYS C C 57 179.358 179.358 179.009 0.349 17588 888 1 2 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.881 0.093 17588 889 1 2 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.257 0.244 17588 890 1 2 . 1 1 57 57 LYS H H 57 8.444 8.444 7.717 0.727 17588 891 1 2 . 1 1 58 58 ALA N N 58 122.736 122.736 120.806 1.930 17588 892 1 2 . 1 1 58 58 ALA HA H 58 4.171 4.171 3.920 0.251 17588 893 1 2 . 1 1 58 58 ALA C C 58 180.708 180.708 179.486 1.222 17588 894 1 2 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.185 -0.074 17588 895 1 2 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.206 -0.658 17588 896 1 2 . 1 1 58 58 ALA H H 58 7.701 7.701 7.441 0.260 17588 897 1 2 . 1 1 59 59 ILE N N 59 117.672 117.672 118.731 -1.059 17588 898 1 2 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.829 -0.156 17588 899 1 2 . 1 1 59 59 ILE C C 59 177.728 177.728 178.253 -0.525 17588 900 1 2 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.705 -0.727 17588 901 1 2 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.944 -0.131 17588 902 1 2 . 1 1 59 59 ILE H H 59 7.547 7.547 7.687 -0.140 17588 903 1 2 . 1 1 60 60 MET N N 60 117.653 117.653 116.675 0.978 17588 904 1 2 . 1 1 60 60 MET HA H 60 4.098 4.098 3.905 0.193 17588 905 1 2 . 1 1 60 60 MET C C 60 178.085 178.085 178.083 0.002 17588 906 1 2 . 1 1 60 60 MET CA C 60 58.060 58.060 58.619 -0.559 17588 907 1 2 . 1 1 60 60 MET CB C 60 32.178 32.178 32.503 -0.325 17588 908 1 2 . 1 1 60 60 MET H H 60 7.718 7.718 7.655 0.063 17588 909 1 2 . 1 1 61 61 ALA N N 61 118.874 118.874 120.172 -1.298 17588 910 1 2 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.212 0.062 17588 911 1 2 . 1 1 61 61 ALA C C 61 177.758 177.758 178.288 -0.530 17588 912 1 2 . 1 1 61 61 ALA CA C 61 53.442 53.442 53.415 0.027 17588 913 1 2 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.148 -0.080 17588 914 1 2 . 1 1 61 61 ALA H H 61 7.513 7.513 7.415 0.098 17588 915 1 2 . 1 1 62 62 ASP N N 62 115.735 115.735 117.729 -1.994 17588 916 1 2 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.172 -0.239 17588 917 1 2 . 1 1 62 62 ASP C C 62 172.960 172.960 174.325 -1.365 17588 918 1 2 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.708 -0.584 17588 919 1 2 . 1 1 62 62 ASP CB C 62 41.384 41.384 42.984 -1.600 17588 920 1 2 . 1 1 62 62 ASP H H 62 7.615 7.615 7.955 -0.340 17588 921 1 2 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.352 0.094 17588 922 1 2 . 1 1 63 63 PRO C C 63 179.157 179.157 178.410 0.747 17588 923 1 2 . 1 1 63 63 PRO CA C 63 64.399 64.399 65.341 -0.942 17588 924 1 2 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.261 -0.002 17588 925 1 2 . 1 1 64 64 ASN N N 64 115.566 115.566 117.315 -1.749 17588 926 1 2 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.323 0.229 17588 927 1 2 . 1 1 64 64 ASN C C 64 176.867 176.867 177.129 -0.262 17588 928 1 2 . 1 1 64 64 ASN CA C 64 55.321 55.321 56.528 -1.207 17588 929 1 2 . 1 1 64 64 ASN CB C 64 37.901 37.901 38.044 -0.143 17588 930 1 2 . 1 1 64 64 ASN H H 64 8.094 8.094 8.703 -0.609 17588 931 1 2 . 1 1 65 65 LYS N N 65 118.691 118.691 118.687 0.004 17588 932 1 2 . 1 1 65 65 LYS HA H 65 4.178 4.178 3.934 0.244 17588 933 1 2 . 1 1 65 65 LYS C C 65 175.844 175.844 178.088 -2.244 17588 934 1 2 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.450 -2.216 17588 935 1 2 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.874 1.003 17588 936 1 2 . 1 1 65 65 LYS H H 65 8.185 8.185 7.716 0.469 17588 937 1 2 . 1 1 66 66 ALA N N 66 120.147 120.147 123.058 -2.911 17588 938 1 2 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.242 -0.200 17588 939 1 2 . 1 1 66 66 ALA C C 66 176.697 176.697 178.920 -2.223 17588 940 1 2 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.245 0.568 17588 941 1 2 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.963 0.271 17588 942 1 2 . 1 1 66 66 ALA H H 66 7.233 7.233 8.306 -1.073 17588 943 1 2 . 1 1 67 67 ASP N N 67 114.524 114.524 118.627 -4.103 17588 944 1 2 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.384 -0.211 17588 945 1 2 . 1 1 67 67 ASP C C 67 178.071 178.071 178.865 -0.794 17588 946 1 2 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.696 0.672 17588 947 1 2 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.150 0.494 17588 948 1 2 . 1 1 67 67 ASP H H 67 8.114 8.114 7.955 0.159 17588 949 1 2 . 1 1 68 68 GLU N N 68 117.486 117.486 119.156 -1.670 17588 950 1 2 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.941 -0.048 17588 951 1 2 . 1 1 68 68 GLU C C 68 178.885 178.885 178.919 -0.034 17588 952 1 2 . 1 1 68 68 GLU CA C 68 58.745 58.745 59.059 -0.314 17588 953 1 2 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.490 0.171 17588 954 1 2 . 1 1 68 68 GLU H H 68 7.846 7.846 7.270 0.576 17588 955 1 2 . 1 1 69 69 VAL N N 69 120.957 120.957 120.440 0.517 17588 956 1 2 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.162 -0.116 17588 957 1 2 . 1 1 69 69 VAL C C 69 176.618 176.618 177.889 -1.271 17588 958 1 2 . 1 1 69 69 VAL CA C 69 66.453 66.453 65.702 0.751 17588 959 1 2 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.241 0.798 17588 960 1 2 . 1 1 69 69 VAL H H 69 7.325 7.325 8.268 -0.943 17588 961 1 2 . 1 1 70 70 TYR N N 70 117.638 117.638 117.501 0.137 17588 962 1 2 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.076 0.099 17588 963 1 2 . 1 1 70 70 TYR C C 70 178.493 178.493 178.171 0.322 17588 964 1 2 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.740 -3.259 17588 965 1 2 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.453 -2.590 17588 966 1 2 . 1 1 70 70 TYR H H 70 8.483 8.483 7.770 0.713 17588 967 1 2 . 1 1 71 71 LYS N N 71 117.283 117.283 117.649 -0.366 17588 968 1 2 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.156 0.058 17588 969 1 2 . 1 1 71 71 LYS C C 71 178.790 178.790 179.200 -0.410 17588 970 1 2 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.459 0.334 17588 971 1 2 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.161 0.346 17588 972 1 2 . 1 1 71 71 LYS H H 71 7.754 7.754 7.574 0.180 17588 973 1 2 . 1 1 72 72 LYS N N 72 120.053 120.053 120.549 -0.496 17588 974 1 2 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.976 0.165 17588 975 1 2 . 1 1 72 72 LYS C C 72 180.399 180.399 178.962 1.437 17588 976 1 2 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.454 0.274 17588 977 1 2 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.157 -0.143 17588 978 1 2 . 1 1 72 72 LYS H H 72 7.386 7.386 7.744 -0.358 17588 979 1 2 . 1 1 73 73 TRP N N 73 121.910 121.910 120.174 1.736 17588 980 1 2 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.472 0.041 17588 981 1 2 . 1 1 73 73 TRP C C 73 177.981 177.981 179.088 -1.107 17588 982 1 2 . 1 1 73 73 TRP CA C 73 57.915 57.915 60.541 -2.626 17588 983 1 2 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.193 1.369 17588 984 1 2 . 1 1 73 73 TRP H H 73 8.659 8.659 8.280 0.379 17588 985 1 2 . 1 1 74 74 ALA N N 74 123.471 123.471 121.131 2.340 17588 986 1 2 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.178 0.314 17588 987 1 2 . 1 1 74 74 ALA C C 74 182.881 182.881 179.751 3.130 17588 988 1 2 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.100 0.249 17588 989 1 2 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.535 -0.143 17588 990 1 2 . 1 1 74 74 ALA H H 74 9.137 9.137 8.155 0.982 17588 991 1 2 . 1 1 75 75 ASP N N 75 121.896 121.896 118.223 3.673 17588 992 1 2 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.344 0.120 17588 993 1 2 . 1 1 75 75 ASP C C 75 178.714 178.714 178.911 -0.197 17588 994 1 2 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.772 0.322 17588 995 1 2 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.536 0.049 17588 996 1 2 . 1 1 75 75 ASP H H 75 8.804 8.804 7.836 0.968 17588 997 1 2 . 1 1 76 76 LYS N N 76 118.966 118.966 117.263 1.703 17588 998 1 2 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.063 -0.034 17588 999 1 2 . 1 1 76 76 LYS C C 76 176.868 176.868 177.640 -0.772 17588 1000 1 2 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.952 -0.455 17588 1001 1 2 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.841 -1.156 17588 1002 1 2 . 1 1 76 76 LYS H H 76 7.630 7.630 7.846 -0.216 17588 1003 1 2 . 1 1 77 77 GLY N N 77 107.310 107.310 105.638 1.672 17588 1004 1 2 . 1 1 77 77 GLY C C 77 175.407 175.407 173.521 1.886 17588 1005 1 2 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.709 0.480 17588 1006 1 2 . 1 1 77 77 GLY H H 77 7.901 7.901 7.464 0.437 17588 1007 1 2 . 1 1 78 78 TYR N N 78 117.917 117.917 119.506 -1.589 17588 1008 1 2 . 1 1 78 78 TYR HA H 78 5.292 5.292 5.115 0.177 17588 1009 1 2 . 1 1 78 78 TYR C C 78 178.422 178.422 175.299 3.123 17588 1010 1 2 . 1 1 78 78 TYR CA C 78 55.545 55.545 55.392 0.153 17588 1011 1 2 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.993 -4.212 17588 1012 1 2 . 1 1 78 78 TYR H H 78 7.506 7.506 7.742 -0.236 17588 1013 1 2 . 1 1 79 79 THR N N 79 119.420 119.420 113.043 6.377 17588 1014 1 2 . 1 1 79 79 THR HA H 79 4.518 4.518 4.832 -0.314 17588 1015 1 2 . 1 1 79 79 THR C C 79 175.648 175.648 175.186 0.462 17588 1016 1 2 . 1 1 79 79 THR CA C 79 60.027 60.027 60.359 -0.332 17588 1017 1 2 . 1 1 79 79 THR CB C 79 71.622 71.622 70.464 1.158 17588 1018 1 2 . 1 1 79 79 THR H H 79 8.957 8.957 8.350 0.607 17588 1019 1 2 . 1 1 80 80 LEU N N 80 119.655 119.655 123.785 -4.130 17588 1020 1 2 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.047 0.133 17588 1021 1 2 . 1 1 80 80 LEU C C 80 180.085 180.085 178.620 1.465 17588 1022 1 2 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.688 0.225 17588 1023 1 2 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.801 -2.148 17588 1024 1 2 . 1 1 80 80 LEU H H 80 9.005 9.005 8.942 0.063 17588 1025 1 2 . 1 1 81 81 THR N N 81 115.259 115.259 112.999 2.260 17588 1026 1 2 . 1 1 81 81 THR HA H 81 3.939 3.939 3.920 0.019 17588 1027 1 2 . 1 1 81 81 THR C C 81 177.000 177.000 176.762 0.238 17588 1028 1 2 . 1 1 81 81 THR CA C 81 66.349 66.349 66.267 0.082 17588 1029 1 2 . 1 1 81 81 THR CB C 81 68.591 68.591 68.030 0.561 17588 1030 1 2 . 1 1 81 81 THR H H 81 8.135 8.135 8.295 -0.160 17588 1031 1 2 . 1 1 82 82 GLN N N 82 121.304 121.304 120.032 1.272 17588 1032 1 2 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.706 -0.053 17588 1033 1 2 . 1 1 82 82 GLN C C 82 178.354 178.354 177.785 0.569 17588 1034 1 2 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.151 0.489 17588 1035 1 2 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.516 0.398 17588 1036 1 2 . 1 1 82 82 GLN H H 82 7.641 7.641 7.724 -0.083 17588 1037 1 2 . 1 1 83 83 MET N N 83 117.464 117.464 119.539 -2.075 17588 1038 1 2 . 1 1 83 83 MET HA H 83 4.425 4.425 3.862 0.563 17588 1039 1 2 . 1 1 83 83 MET C C 83 177.906 177.906 178.261 -0.355 17588 1040 1 2 . 1 1 83 83 MET CA C 83 55.462 55.462 57.949 -2.487 17588 1041 1 2 . 1 1 83 83 MET CB C 83 29.014 29.014 32.032 -3.018 17588 1042 1 2 . 1 1 83 83 MET H H 83 8.665 8.665 8.365 0.300 17588 1043 1 2 . 1 1 84 84 SER N N 84 114.879 114.879 114.141 0.738 17588 1044 1 2 . 1 1 84 84 SER HA H 84 3.689 3.689 3.968 -0.279 17588 1045 1 2 . 1 1 84 84 SER C C 84 176.666 176.666 175.719 0.947 17588 1046 1 2 . 1 1 84 84 SER CA C 84 61.347 61.347 61.999 -0.652 17588 1047 1 2 . 1 1 84 84 SER CB C 84 62.356 62.356 63.008 -0.652 17588 1048 1 2 . 1 1 84 84 SER H H 84 8.607 8.607 8.274 0.333 17588 1049 1 2 . 1 1 85 85 ASN N N 85 117.904 117.904 116.406 1.498 17588 1050 1 2 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.360 0.055 17588 1051 1 2 . 1 1 85 85 ASN C C 85 177.997 177.997 177.876 0.121 17588 1052 1 2 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.562 0.391 17588 1053 1 2 . 1 1 85 85 ASN CB C 85 38.260 38.260 38.155 0.105 17588 1054 1 2 . 1 1 85 85 ASN H H 85 7.204 7.204 7.630 -0.426 17588 1055 1 2 . 1 1 86 86 PHE N N 86 118.316 118.316 118.433 -0.117 17588 1056 1 2 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.325 0.103 17588 1057 1 2 . 1 1 86 86 PHE C C 86 177.478 177.478 176.155 1.323 17588 1058 1 2 . 1 1 86 86 PHE CA C 86 58.394 58.394 59.498 -1.104 17588 1059 1 2 . 1 1 86 86 PHE CB C 86 38.835 38.835 39.099 -0.264 17588 1060 1 2 . 1 1 86 86 PHE H H 86 8.367 8.367 7.382 0.985 17588 1061 1 2 . 1 1 87 87 LEU N N 87 112.533 112.533 115.510 -2.977 17588 1062 1 2 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.233 -0.133 17588 1063 1 2 . 1 1 87 87 LEU C C 87 176.474 176.474 176.654 -0.180 17588 1064 1 2 . 1 1 87 87 LEU CA C 87 54.549 54.549 53.819 0.730 17588 1065 1 2 . 1 1 87 87 LEU CB C 87 41.371 41.371 39.958 1.413 17588 1066 1 2 . 1 1 87 87 LEU H H 87 7.778 7.778 8.006 -0.228 17588 1067 1 2 . 1 1 88 88 LYS N N 88 119.798 119.798 119.252 0.546 17588 1068 1 2 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.276 -0.028 17588 1069 1 2 . 1 1 88 88 LYS C C 88 176.594 176.594 176.046 0.548 17588 1070 1 2 . 1 1 88 88 LYS CA C 88 57.674 57.674 55.143 2.531 17588 1071 1 2 . 1 1 88 88 LYS CB C 88 32.671 32.671 30.497 2.174 17588 1072 1 2 . 1 1 88 88 LYS H H 88 7.328 7.328 7.711 -0.383 17588 1073 1 2 . 1 1 89 89 SER N N 89 117.937 117.937 117.959 -0.022 17588 1074 1 2 . 1 1 89 89 SER HA H 89 4.785 4.785 4.375 0.410 17588 1075 1 2 . 1 1 89 89 SER CA C 89 57.375 57.375 59.006 -1.631 17588 1076 1 2 . 1 1 89 89 SER CB C 89 64.838 64.838 62.627 2.211 17588 1077 1 2 . 1 1 89 89 SER H H 89 8.197 8.197 7.810 0.387 17588 1078 1 2 . 1 1 90 90 LYS HA H 90 4.154 4.154 4.092 0.062 17588 1079 1 2 . 1 1 90 90 LYS C C 90 177.472 177.472 175.832 1.640 17588 1080 1 2 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.579 0.815 17588 1081 1 2 . 1 1 90 90 LYS CB C 90 31.767 31.767 31.718 0.049 17588 1082 1 2 . 1 1 90 90 LYS H H 90 7.981 7.981 8.249 -0.268 17588 1083 1 2 . 1 1 91 91 THR N N 91 113.435 113.435 116.154 -2.719 17588 1084 1 2 . 1 1 91 91 THR HA H 91 4.342 4.342 4.453 -0.111 17588 1085 1 2 . 1 1 91 91 THR C C 91 174.236 174.236 174.537 -0.301 17588 1086 1 2 . 1 1 91 91 THR CA C 91 61.203 61.203 61.265 -0.062 17588 1087 1 2 . 1 1 91 91 THR CB C 91 69.254 69.254 70.409 -1.155 17588 1088 1 2 . 1 1 91 91 THR H H 91 7.942 7.942 7.676 0.266 17588 1089 1 2 . 1 1 92 92 ALA N N 92 129.685 129.685 125.947 3.738 17588 1090 1 2 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.373 -0.195 17588 1091 1 2 . 1 1 92 92 ALA C C 92 178.710 178.710 176.657 2.053 17588 1092 1 2 . 1 1 92 92 ALA CA C 92 53.583 53.583 51.800 1.782 17588 1093 1 2 . 1 1 92 92 ALA CB C 92 18.081 18.081 16.918 1.163 17588 1094 1 2 . 1 1 92 92 ALA H H 92 8.603 8.603 8.813 -0.210 17588 1095 1 2 . 1 1 93 93 GLY N N 93 109.919 109.919 106.860 3.059 17588 1096 1 2 . 1 1 93 93 GLY C C 93 176.310 176.310 173.460 2.850 17588 1097 1 2 . 1 1 93 93 GLY CA C 93 45.505 45.505 44.900 0.605 17588 1098 1 2 . 1 1 93 93 GLY H H 93 8.823 8.823 7.621 1.202 17588 1099 1 2 . 1 1 94 94 LYS N N 94 120.949 120.949 124.262 -3.313 17588 1100 1 2 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.339 -0.547 17588 1101 1 2 . 1 1 94 94 LYS C C 94 177.630 177.630 175.898 1.732 17588 1102 1 2 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.172 3.434 17588 1103 1 2 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.636 -0.390 17588 1104 1 2 . 1 1 94 94 LYS H H 94 7.501 7.501 8.186 -0.685 17588 1105 1 2 . 1 1 95 95 TYR N N 95 113.034 113.034 119.035 -6.001 17588 1106 1 2 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.914 0.133 17588 1107 1 2 . 1 1 95 95 TYR C C 95 176.649 176.649 176.400 0.249 17588 1108 1 2 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.551 0.385 17588 1109 1 2 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.685 1.315 17588 1110 1 2 . 1 1 95 95 TYR H H 95 8.670 8.670 8.380 0.290 17588 1111 1 2 . 1 1 96 96 ASP N N 96 123.097 123.097 122.289 0.808 17588 1112 1 2 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.494 -0.165 17588 1113 1 2 . 1 1 96 96 ASP C C 96 178.087 178.087 178.309 -0.222 17588 1114 1 2 . 1 1 96 96 ASP CA C 96 58.619 58.619 57.773 0.847 17588 1115 1 2 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.843 -1.273 17588 1116 1 2 . 1 1 96 96 ASP H H 96 7.756 7.756 8.658 -0.902 17588 1117 1 2 . 1 1 97 97 ARG N N 97 118.384 118.384 119.102 -0.718 17588 1118 1 2 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.216 0.046 17588 1119 1 2 . 1 1 97 97 ARG C C 97 179.927 179.927 178.519 1.408 17588 1120 1 2 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.162 0.584 17588 1121 1 2 . 1 1 97 97 ARG CB C 97 29.794 29.794 30.236 -0.442 17588 1122 1 2 . 1 1 97 97 ARG H H 97 8.897 8.897 8.631 0.266 17588 1123 1 2 . 1 1 98 98 VAL N N 98 119.642 119.642 119.480 0.162 17588 1124 1 2 . 1 1 98 98 VAL HA H 98 3.938 3.938 3.944 -0.006 17588 1125 1 2 . 1 1 98 98 VAL C C 98 179.630 179.630 178.584 1.046 17588 1126 1 2 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.954 -0.150 17588 1127 1 2 . 1 1 98 98 VAL CB C 98 32.054 32.054 32.019 0.035 17588 1128 1 2 . 1 1 98 98 VAL H H 98 7.578 7.578 7.842 -0.264 17588 1129 1 2 . 1 1 99 99 TYR N N 99 122.432 122.432 119.808 2.624 17588 1130 1 2 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.107 -0.173 17588 1131 1 2 . 1 1 99 99 TYR C C 99 176.400 176.400 177.666 -1.266 17588 1132 1 2 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.877 1.029 17588 1133 1 2 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.426 -0.104 17588 1134 1 2 . 1 1 99 99 TYR H H 99 8.635 8.635 7.918 0.717 17588 1135 1 2 . 1 1 100 100 ASN N N 100 117.211 117.211 117.516 -0.305 17588 1136 1 2 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.233 0.053 17588 1137 1 2 . 1 1 100 100 ASN C C 100 178.488 178.488 177.727 0.761 17588 1138 1 2 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.610 -0.754 17588 1139 1 2 . 1 1 100 100 ASN CB C 100 37.849 37.849 38.273 -0.424 17588 1140 1 2 . 1 1 100 100 ASN H H 100 9.024 9.024 8.217 0.807 17588 1141 1 2 . 1 1 101 101 GLY N N 101 105.413 105.413 107.544 -2.131 17588 1142 1 2 . 1 1 101 101 GLY C C 101 175.833 175.833 175.695 0.138 17588 1143 1 2 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.124 -0.092 17588 1144 1 2 . 1 1 101 101 GLY H H 101 7.908 7.908 7.853 0.055 17588 1145 1 2 . 1 1 102 102 TYR N N 102 126.373 126.373 123.478 2.895 17588 1146 1 2 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.658 -0.191 17588 1147 1 2 . 1 1 102 102 TYR C C 102 176.016 176.016 177.898 -1.882 17588 1148 1 2 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.696 -1.143 17588 1149 1 2 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.176 -0.286 17588 1150 1 2 . 1 1 102 102 TYR H H 102 7.581 7.581 7.369 0.212 17588 1151 1 2 . 1 1 103 103 VAL N N 103 117.870 117.870 117.282 0.588 17588 1152 1 2 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.220 -0.078 17588 1153 1 2 . 1 1 103 103 VAL C C 103 178.786 178.786 177.952 0.834 17588 1154 1 2 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.856 -0.279 17588 1155 1 2 . 1 1 103 103 VAL CB C 103 31.747 31.747 31.283 0.464 17588 1156 1 2 . 1 1 103 103 VAL H H 103 7.510 7.510 7.802 -0.292 17588 1157 1 2 . 1 1 104 104 ILE N N 104 116.770 116.770 118.349 -1.579 17588 1158 1 2 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.594 0.099 17588 1159 1 2 . 1 1 104 104 ILE C C 104 178.703 178.703 177.590 1.113 17588 1160 1 2 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.424 -0.587 17588 1161 1 2 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.496 0.436 17588 1162 1 2 . 1 1 104 104 ILE H H 104 7.056 7.056 7.470 -0.414 17588 1163 1 2 . 1 1 105 105 HIS N N 105 121.324 121.324 119.139 2.185 17588 1164 1 2 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.108 -0.156 17588 1165 1 2 . 1 1 105 105 HIS C C 105 176.974 176.974 177.826 -0.852 17588 1166 1 2 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.538 0.612 17588 1167 1 2 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.552 0.972 17588 1168 1 2 . 1 1 105 105 HIS H H 105 7.864 7.864 7.958 -0.094 17588 1169 1 2 . 1 1 106 106 LEU N N 106 115.126 115.126 118.852 -3.726 17588 1170 1 2 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.208 -0.373 17588 1171 1 2 . 1 1 106 106 LEU C C 106 177.315 177.315 178.153 -0.838 17588 1172 1 2 . 1 1 106 106 LEU CA C 106 55.707 55.707 56.837 -1.130 17588 1173 1 2 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.941 0.100 17588 1174 1 2 . 1 1 106 106 LEU H H 106 7.517 7.517 7.915 -0.398 17588 1175 1 2 . 1 1 107 107 ASP N N 107 119.221 119.221 119.508 -0.287 17588 1176 1 2 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.311 0.190 17588 1177 1 2 . 1 1 107 107 ASP C C 107 175.224 175.224 177.047 -1.823 17588 1178 1 2 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.969 -1.351 17588 1179 1 2 . 1 1 107 107 ASP CB C 107 40.765 40.765 41.037 -0.272 17588 1180 1 2 . 1 1 107 107 ASP H H 107 7.512 7.512 7.522 -0.010 17588 1181 1 3 . 1 1 6 6 SER HA H 6 4.480 4.480 5.115 -0.635 17588 1182 1 3 . 1 1 6 6 SER C C 6 174.995 174.995 173.202 1.793 17588 1183 1 3 . 1 1 6 6 SER CA C 6 58.675 58.675 57.625 1.050 17588 1184 1 3 . 1 1 6 6 SER CB C 6 63.822 63.822 64.012 -0.190 17588 1185 1 3 . 1 1 7 7 GLY N N 7 110.458 110.458 108.379 2.079 17588 1186 1 3 . 1 1 7 7 GLY C C 7 173.853 173.853 172.642 1.211 17588 1187 1 3 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.309 1.038 17588 1188 1 3 . 1 1 7 7 GLY H H 7 8.394 8.394 9.221 -0.827 17588 1189 1 3 . 1 1 8 8 ASN N N 8 119.020 119.020 116.469 2.551 17588 1190 1 3 . 1 1 8 8 ASN HA H 8 4.757 4.757 5.230 -0.473 17588 1191 1 3 . 1 1 8 8 ASN C C 8 175.389 175.389 173.457 1.932 17588 1192 1 3 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.521 0.710 17588 1193 1 3 . 1 1 8 8 ASN CB C 8 38.959 38.959 41.206 -2.247 17588 1194 1 3 . 1 1 8 8 ASN H H 8 8.308 8.308 9.078 -0.770 17588 1195 1 3 . 1 1 9 9 VAL N N 9 120.281 120.281 120.512 -0.231 17588 1196 1 3 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.326 -0.211 17588 1197 1 3 . 1 1 9 9 VAL C C 9 175.980 175.980 173.992 1.988 17588 1198 1 3 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.979 -0.511 17588 1199 1 3 . 1 1 9 9 VAL CB C 9 32.712 32.712 33.464 -0.752 17588 1200 1 3 . 1 1 9 9 VAL H H 9 8.173 8.173 8.525 -0.352 17588 1201 1 3 . 1 1 10 10 ASP N N 10 123.840 123.840 122.909 0.931 17588 1202 1 3 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.904 -0.280 17588 1203 1 3 . 1 1 10 10 ASP C C 10 176.599 176.599 174.607 1.992 17588 1204 1 3 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.967 0.423 17588 1205 1 3 . 1 1 10 10 ASP CB C 10 41.343 41.343 42.077 -0.734 17588 1206 1 3 . 1 1 10 10 ASP H H 10 8.418 8.418 8.315 0.103 17588 1207 1 3 . 1 1 11 11 SER N N 11 117.003 117.003 115.408 1.595 17588 1208 1 3 . 1 1 11 11 SER HA H 11 4.395 4.395 5.036 -0.641 17588 1209 1 3 . 1 1 11 11 SER C C 11 174.834 174.834 172.524 2.310 17588 1210 1 3 . 1 1 11 11 SER CA C 11 58.886 58.886 57.428 1.458 17588 1211 1 3 . 1 1 11 11 SER CB C 11 63.740 63.740 66.696 -2.956 17588 1212 1 3 . 1 1 11 11 SER H H 11 8.312 8.312 8.552 -0.240 17588 1213 1 3 . 1 1 12 12 ASN N N 12 120.512 120.512 118.498 2.014 17588 1214 1 3 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.892 -0.207 17588 1215 1 3 . 1 1 12 12 ASN C C 12 175.646 175.646 173.479 2.167 17588 1216 1 3 . 1 1 12 12 ASN CA C 12 53.793 53.793 53.108 0.685 17588 1217 1 3 . 1 1 12 12 ASN CB C 12 38.630 38.630 40.251 -1.621 17588 1218 1 3 . 1 1 12 12 ASN H H 12 8.511 8.511 8.559 -0.048 17588 1219 1 3 . 1 1 13 13 GLN N N 13 120.057 120.057 120.063 -0.006 17588 1220 1 3 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.941 -0.703 17588 1221 1 3 . 1 1 13 13 GLN C C 13 175.988 175.988 174.220 1.768 17588 1222 1 3 . 1 1 13 13 GLN CA C 13 56.447 56.447 54.813 1.634 17588 1223 1 3 . 1 1 13 13 GLN CB C 13 29.137 29.137 31.274 -2.137 17588 1224 1 3 . 1 1 13 13 GLN H H 13 8.258 8.258 8.543 -0.285 17588 1225 1 3 . 1 1 14 14 ASN N N 14 119.323 119.323 119.287 0.036 17588 1226 1 3 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.875 -0.190 17588 1227 1 3 . 1 1 14 14 ASN C C 14 175.552 175.552 173.808 1.744 17588 1228 1 3 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.851 0.714 17588 1229 1 3 . 1 1 14 14 ASN CB C 14 38.763 38.763 39.288 -0.525 17588 1230 1 3 . 1 1 14 14 ASN H H 14 8.377 8.377 8.718 -0.341 17588 1231 1 3 . 1 1 15 15 LYS N N 15 121.938 121.938 120.053 1.885 17588 1232 1 3 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.592 -0.378 17588 1233 1 3 . 1 1 15 15 LYS C C 15 176.933 176.933 175.564 1.369 17588 1234 1 3 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.378 1.857 17588 1235 1 3 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.298 -0.546 17588 1236 1 3 . 1 1 15 15 LYS H H 15 8.224 8.224 8.148 0.076 17588 1237 1 3 . 1 1 16 16 ALA N N 16 123.956 123.956 123.042 0.914 17588 1238 1 3 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.610 -0.336 17588 1239 1 3 . 1 1 16 16 ALA C C 16 178.593 178.593 177.387 1.206 17588 1240 1 3 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.591 1.851 17588 1241 1 3 . 1 1 16 16 ALA CB C 16 18.863 18.863 19.676 -0.813 17588 1242 1 3 . 1 1 16 16 ALA H H 16 8.292 8.292 8.211 0.081 17588 1243 1 3 . 1 1 17 17 SER N N 17 114.462 114.462 119.184 -4.722 17588 1244 1 3 . 1 1 17 17 SER HA H 17 4.365 4.365 4.569 -0.204 17588 1245 1 3 . 1 1 17 17 SER C C 17 175.370 175.370 174.735 0.635 17588 1246 1 3 . 1 1 17 17 SER CA C 17 59.077 59.077 57.763 1.314 17588 1247 1 3 . 1 1 17 17 SER CB C 17 63.383 63.383 63.487 -0.104 17588 1248 1 3 . 1 1 17 17 SER H H 17 8.200 8.200 8.575 -0.375 17588 1249 1 3 . 1 1 18 18 MET N N 18 121.999 121.999 126.272 -4.273 17588 1250 1 3 . 1 1 18 18 MET HA H 18 4.429 4.429 4.169 0.260 17588 1251 1 3 . 1 1 18 18 MET C C 18 176.829 176.829 176.695 0.134 17588 1252 1 3 . 1 1 18 18 MET CA C 18 56.357 56.357 57.047 -0.690 17588 1253 1 3 . 1 1 18 18 MET CB C 18 32.630 32.630 32.910 -0.280 17588 1254 1 3 . 1 1 18 18 MET H H 18 8.214 8.214 8.449 -0.235 17588 1255 1 3 . 1 1 19 19 LEU N N 19 122.083 122.083 119.706 2.377 17588 1256 1 3 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.415 -0.159 17588 1257 1 3 . 1 1 19 19 LEU C C 19 177.774 177.774 175.518 2.256 17588 1258 1 3 . 1 1 19 19 LEU CA C 19 56.111 56.111 54.864 1.247 17588 1259 1 3 . 1 1 19 19 LEU CB C 19 42.041 42.041 42.899 -0.858 17588 1260 1 3 . 1 1 19 19 LEU H H 19 8.076 8.076 7.539 0.537 17588 1261 1 3 . 1 1 20 20 GLN N N 20 120.123 120.123 122.199 -2.076 17588 1262 1 3 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.532 -0.325 17588 1263 1 3 . 1 1 20 20 GLN C C 20 176.166 176.166 174.822 1.344 17588 1264 1 3 . 1 1 20 20 GLN CA C 20 56.409 56.409 55.265 1.144 17588 1265 1 3 . 1 1 20 20 GLN CB C 20 29.196 29.196 29.527 -0.331 17588 1266 1 3 . 1 1 20 20 GLN H H 20 8.174 8.174 8.562 -0.388 17588 1267 1 3 . 1 1 21 21 ALA N N 21 124.216 124.216 128.214 -3.998 17588 1268 1 3 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.475 -0.221 17588 1269 1 3 . 1 1 21 21 ALA C C 21 178.034 178.034 176.440 1.594 17588 1270 1 3 . 1 1 21 21 ALA CA C 21 53.126 53.126 52.946 0.180 17588 1271 1 3 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.500 -1.429 17588 1272 1 3 . 1 1 21 21 ALA H H 21 8.151 8.151 8.426 -0.275 17588 1273 1 3 . 1 1 22 22 ARG N N 22 119.591 119.591 123.473 -3.882 17588 1274 1 3 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.593 -0.285 17588 1275 1 3 . 1 1 22 22 ARG C C 22 176.750 176.750 175.475 1.275 17588 1276 1 3 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.616 0.811 17588 1277 1 3 . 1 1 22 22 ARG CB C 22 30.616 30.616 30.133 0.483 17588 1278 1 3 . 1 1 22 22 ARG H H 22 8.147 8.147 8.629 -0.482 17588 1279 1 3 . 1 1 23 23 LEU N N 23 122.553 122.553 122.724 -0.171 17588 1280 1 3 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.169 0.105 17588 1281 1 3 . 1 1 23 23 LEU C C 23 177.547 177.547 177.275 0.272 17588 1282 1 3 . 1 1 23 23 LEU CA C 23 55.690 55.690 56.117 -0.427 17588 1283 1 3 . 1 1 23 23 LEU CB C 23 42.082 42.082 41.937 0.145 17588 1284 1 3 . 1 1 23 23 LEU H H 23 8.220 8.220 8.476 -0.256 17588 1285 1 3 . 1 1 24 24 ASN N N 24 118.666 118.666 116.111 2.555 17588 1286 1 3 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.786 -0.113 17588 1287 1 3 . 1 1 24 24 ASN C C 24 175.246 175.246 174.108 1.138 17588 1288 1 3 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.539 1.026 17588 1289 1 3 . 1 1 24 24 ASN CB C 24 38.836 38.836 40.517 -1.681 17588 1290 1 3 . 1 1 24 24 ASN H H 24 8.351 8.351 8.125 0.226 17588 1291 1 3 . 1 1 25 25 ASP N N 25 120.897 120.897 119.700 1.197 17588 1292 1 3 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.780 -0.204 17588 1293 1 3 . 1 1 25 25 ASP C C 25 176.732 176.732 175.784 0.948 17588 1294 1 3 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.737 0.969 17588 1295 1 3 . 1 1 25 25 ASP CB C 25 41.219 41.219 42.459 -1.240 17588 1296 1 3 . 1 1 25 25 ASP H H 25 8.234 8.234 8.415 -0.181 17588 1297 1 3 . 1 1 26 26 GLU N N 26 121.168 121.168 121.197 -0.029 17588 1298 1 3 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.458 -0.244 17588 1299 1 3 . 1 1 26 26 GLU C C 26 176.857 176.857 177.006 -0.149 17588 1300 1 3 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.755 1.492 17588 1301 1 3 . 1 1 26 26 GLU CB C 26 29.959 29.959 29.945 0.014 17588 1302 1 3 . 1 1 26 26 GLU H H 26 8.368 8.368 8.555 -0.187 17588 1303 1 3 . 1 1 27 27 ALA N N 27 124.100 124.100 129.338 -5.238 17588 1304 1 3 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.185 0.132 17588 1305 1 3 . 1 1 27 27 ALA C C 27 178.520 178.520 177.715 0.805 17588 1306 1 3 . 1 1 27 27 ALA CA C 27 52.986 52.986 53.577 -0.591 17588 1307 1 3 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.194 -0.249 17588 1308 1 3 . 1 1 27 27 ALA H H 27 8.289 8.289 8.697 -0.408 17588 1309 1 3 . 1 1 28 28 GLY N N 28 107.844 107.844 106.640 1.204 17588 1310 1 3 . 1 1 28 28 GLY C C 28 175.019 175.019 175.302 -0.283 17588 1311 1 3 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.158 0.470 17588 1312 1 3 . 1 1 28 28 GLY H H 28 8.315 8.315 7.872 0.443 17588 1313 1 3 . 1 1 29 29 GLY N N 29 108.754 108.754 109.526 -0.772 17588 1314 1 3 . 1 1 29 29 GLY C C 29 174.659 174.659 174.098 0.561 17588 1315 1 3 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.022 0.465 17588 1316 1 3 . 1 1 29 29 GLY H H 29 8.266 8.266 8.594 -0.328 17588 1317 1 3 . 1 1 30 30 THR N N 30 114.068 114.068 115.326 -1.258 17588 1318 1 3 . 1 1 30 30 THR HA H 30 4.301 4.301 4.421 -0.120 17588 1319 1 3 . 1 1 30 30 THR C C 30 174.789 174.789 173.588 1.201 17588 1320 1 3 . 1 1 30 30 THR CA C 30 62.327 62.327 61.936 0.391 17588 1321 1 3 . 1 1 30 30 THR CB C 30 69.553 69.553 69.021 0.532 17588 1322 1 3 . 1 1 30 30 THR H H 30 8.111 8.111 7.951 0.160 17588 1323 1 3 . 1 1 31 31 ARG N N 31 123.536 123.536 128.244 -4.708 17588 1324 1 3 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.631 -0.332 17588 1325 1 3 . 1 1 31 31 ARG C C 31 176.125 176.125 175.567 0.558 17588 1326 1 3 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.827 0.635 17588 1327 1 3 . 1 1 31 31 ARG CB C 31 30.657 30.657 30.536 0.121 17588 1328 1 3 . 1 1 31 31 ARG H H 31 8.343 8.343 8.603 -0.260 17588 1329 1 3 . 1 1 32 32 LEU N N 32 122.865 122.865 127.783 -4.918 17588 1330 1 3 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.589 -0.270 17588 1331 1 3 . 1 1 32 32 LEU C C 32 177.036 177.036 175.970 1.066 17588 1332 1 3 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.044 1.189 17588 1333 1 3 . 1 1 32 32 LEU CB C 32 42.264 42.264 41.909 0.355 17588 1334 1 3 . 1 1 32 32 LEU H H 32 8.203 8.203 8.739 -0.536 17588 1335 1 3 . 1 1 33 33 LEU N N 33 123.054 123.054 124.865 -1.811 17588 1336 1 3 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.538 -0.202 17588 1337 1 3 . 1 1 33 33 LEU C C 33 177.022 177.022 176.669 0.353 17588 1338 1 3 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.007 1.062 17588 1339 1 3 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.483 -0.195 17588 1340 1 3 . 1 1 33 33 LEU H H 33 8.150 8.150 8.239 -0.089 17588 1341 1 3 . 1 1 34 34 ARG N N 34 122.226 122.226 124.899 -2.673 17588 1342 1 3 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.274 0.063 17588 1343 1 3 . 1 1 34 34 ARG C C 34 175.950 175.950 175.980 -0.030 17588 1344 1 3 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.343 0.575 17588 1345 1 3 . 1 1 34 34 ARG CB C 34 30.781 30.781 30.137 0.644 17588 1346 1 3 . 1 1 34 34 ARG H H 34 8.248 8.248 8.441 -0.193 17588 1347 1 3 . 1 1 35 35 VAL N N 35 121.294 121.294 121.895 -0.601 17588 1348 1 3 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.160 -0.119 17588 1349 1 3 . 1 1 35 35 VAL C C 35 175.709 175.709 176.270 -0.561 17588 1350 1 3 . 1 1 35 35 VAL CA C 35 62.240 62.240 62.968 -0.728 17588 1351 1 3 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.215 0.538 17588 1352 1 3 . 1 1 35 35 VAL H H 35 8.107 8.107 8.197 -0.090 17588 1353 1 3 . 1 1 36 36 HIS N N 36 123.522 123.522 123.856 -0.334 17588 1354 1 3 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.452 0.146 17588 1355 1 3 . 1 1 36 36 HIS C C 36 174.825 174.825 176.051 -1.226 17588 1356 1 3 . 1 1 36 36 HIS CA C 36 56.111 56.111 57.128 -1.017 17588 1357 1 3 . 1 1 36 36 HIS CB C 36 30.944 30.944 30.020 0.924 17588 1358 1 3 . 1 1 36 36 HIS H H 36 8.410 8.410 8.633 -0.223 17588 1359 1 3 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.343 0.257 17588 1360 1 3 . 1 1 37 37 HIS C C 37 175.173 175.173 174.020 1.153 17588 1361 1 3 . 1 1 37 37 HIS CA C 37 56.217 56.217 56.038 0.179 17588 1362 1 3 . 1 1 37 37 HIS CB C 37 31.027 31.027 28.585 2.442 17588 1363 1 3 . 1 1 38 38 GLU N N 38 122.826 122.826 118.602 4.224 17588 1364 1 3 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.166 0.089 17588 1365 1 3 . 1 1 38 38 GLU C C 38 176.483 176.483 176.003 0.480 17588 1366 1 3 . 1 1 38 38 GLU CA C 38 56.919 56.919 57.934 -1.015 17588 1367 1 3 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.125 0.203 17588 1368 1 3 . 1 1 38 38 GLU H H 38 8.569 8.569 8.264 0.305 17588 1369 1 3 . 1 1 39 39 SER N N 39 116.398 116.398 119.666 -3.268 17588 1370 1 3 . 1 1 39 39 SER HA H 39 4.454 4.454 4.331 0.123 17588 1371 1 3 . 1 1 39 39 SER C C 39 174.497 174.497 174.494 0.003 17588 1372 1 3 . 1 1 39 39 SER CA C 39 58.552 58.552 59.360 -0.808 17588 1373 1 3 . 1 1 39 39 SER CB C 39 64.028 64.028 63.601 0.427 17588 1374 1 3 . 1 1 39 39 SER H H 39 8.444 8.444 8.469 -0.025 17588 1375 1 3 . 1 1 40 40 ASP N N 40 122.831 122.831 119.975 2.856 17588 1376 1 3 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.394 0.278 17588 1377 1 3 . 1 1 40 40 ASP C C 40 176.783 176.783 174.875 1.908 17588 1378 1 3 . 1 1 40 40 ASP CA C 40 54.759 54.759 54.890 -0.131 17588 1379 1 3 . 1 1 40 40 ASP CB C 40 41.014 41.014 40.134 0.880 17588 1380 1 3 . 1 1 40 40 ASP H H 40 8.469 8.469 8.418 0.051 17588 1381 1 3 . 1 1 41 41 THR N N 41 113.679 113.679 113.789 -0.110 17588 1382 1 3 . 1 1 41 41 THR HA H 41 4.181 4.181 4.225 -0.044 17588 1383 1 3 . 1 1 41 41 THR C C 41 175.314 175.314 174.452 0.862 17588 1384 1 3 . 1 1 41 41 THR CA C 41 62.819 62.819 61.532 1.287 17588 1385 1 3 . 1 1 41 41 THR CB C 41 69.576 69.576 68.658 0.918 17588 1386 1 3 . 1 1 41 41 THR H H 41 8.066 8.066 7.793 0.273 17588 1387 1 3 . 1 1 42 42 GLU N N 42 122.776 122.776 126.651 -3.875 17588 1388 1 3 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.210 -0.002 17588 1389 1 3 . 1 1 42 42 GLU C C 42 177.129 177.129 175.744 1.385 17588 1390 1 3 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.817 0.505 17588 1391 1 3 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.756 -0.756 17588 1392 1 3 . 1 1 42 42 GLU H H 42 8.343 8.343 8.458 -0.115 17588 1393 1 3 . 1 1 43 43 GLU N N 43 121.898 121.898 125.893 -3.995 17588 1394 1 3 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.523 -0.312 17588 1395 1 3 . 1 1 43 43 GLU C C 43 177.313 177.313 176.375 0.938 17588 1396 1 3 . 1 1 43 43 GLU CA C 43 57.453 57.453 57.152 0.301 17588 1397 1 3 . 1 1 43 43 GLU CB C 43 29.959 29.959 30.247 -0.288 17588 1398 1 3 . 1 1 43 43 GLU H H 43 8.397 8.397 8.630 -0.233 17588 1399 1 3 . 1 1 44 44 ARG N N 44 121.336 121.336 121.169 0.167 17588 1400 1 3 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.057 0.169 17588 1401 1 3 . 1 1 44 44 ARG C C 44 178.048 178.048 177.610 0.438 17588 1402 1 3 . 1 1 44 44 ARG CA C 44 57.779 57.779 57.644 0.135 17588 1403 1 3 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.429 0.937 17588 1404 1 3 . 1 1 44 44 ARG H H 44 8.401 8.401 8.666 -0.265 17588 1405 1 3 . 1 1 45 45 GLY N N 45 109.098 109.098 114.104 -5.006 17588 1406 1 3 . 1 1 45 45 GLY C C 45 175.522 175.522 175.495 0.027 17588 1407 1 3 . 1 1 45 45 GLY CA C 45 46.400 46.400 46.421 -0.021 17588 1408 1 3 . 1 1 45 45 GLY H H 45 8.536 8.536 8.744 -0.208 17588 1409 1 3 . 1 1 46 46 PHE N N 46 121.592 121.592 123.510 -1.918 17588 1410 1 3 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.224 0.193 17588 1411 1 3 . 1 1 46 46 PHE C C 46 177.561 177.561 176.235 1.326 17588 1412 1 3 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.298 -1.218 17588 1413 1 3 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.110 -0.199 17588 1414 1 3 . 1 1 46 46 PHE H H 46 8.071 8.071 7.743 0.328 17588 1415 1 3 . 1 1 47 47 LEU N N 47 121.344 121.344 119.099 2.245 17588 1416 1 3 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.406 0.636 17588 1417 1 3 . 1 1 47 47 LEU C C 47 179.621 179.621 178.453 1.168 17588 1418 1 3 . 1 1 47 47 LEU CA C 47 57.460 57.460 58.011 -0.551 17588 1419 1 3 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.622 0.015 17588 1420 1 3 . 1 1 47 47 LEU H H 47 8.215 8.215 7.928 0.287 17588 1421 1 3 . 1 1 48 48 GLU N N 48 121.986 121.986 119.065 2.921 17588 1422 1 3 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.632 0.356 17588 1423 1 3 . 1 1 48 48 GLU C C 48 177.573 177.573 178.033 -0.460 17588 1424 1 3 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.632 -0.325 17588 1425 1 3 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.300 0.348 17588 1426 1 3 . 1 1 48 48 GLU H H 48 8.225 8.225 8.239 -0.014 17588 1427 1 3 . 1 1 49 49 LYS N N 49 118.759 118.759 118.643 0.116 17588 1428 1 3 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.441 -0.198 17588 1429 1 3 . 1 1 49 49 LYS C C 49 177.659 177.659 178.548 -0.889 17588 1430 1 3 . 1 1 49 49 LYS CA C 49 59.886 59.886 58.916 0.970 17588 1431 1 3 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.267 0.035 17588 1432 1 3 . 1 1 49 49 LYS H H 49 7.790 7.790 7.562 0.228 17588 1433 1 3 . 1 1 50 50 ALA N N 50 120.023 120.023 120.991 -0.968 17588 1434 1 3 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.839 0.120 17588 1435 1 3 . 1 1 50 50 ALA C C 50 180.486 180.486 179.314 1.172 17588 1436 1 3 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.810 0.072 17588 1437 1 3 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.756 0.121 17588 1438 1 3 . 1 1 50 50 ALA H H 50 7.798 7.798 7.330 0.468 17588 1439 1 3 . 1 1 51 51 ALA N N 51 121.955 121.955 121.479 0.476 17588 1440 1 3 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.862 0.251 17588 1441 1 3 . 1 1 51 51 ALA C C 51 180.762 180.762 179.422 1.340 17588 1442 1 3 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.042 0.069 17588 1443 1 3 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.014 0.027 17588 1444 1 3 . 1 1 51 51 ALA H H 51 7.809 7.809 7.843 -0.034 17588 1445 1 3 . 1 1 52 52 VAL N N 52 120.415 120.415 118.494 1.921 17588 1446 1 3 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.618 0.032 17588 1447 1 3 . 1 1 52 52 VAL C C 52 178.567 178.567 178.329 0.238 17588 1448 1 3 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.832 0.395 17588 1449 1 3 . 1 1 52 52 VAL CB C 52 31.110 31.110 31.046 0.065 17588 1450 1 3 . 1 1 52 52 VAL H H 52 7.944 7.944 7.475 0.469 17588 1451 1 3 . 1 1 53 53 LYS N N 53 119.231 119.231 118.866 0.365 17588 1452 1 3 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.814 -0.250 17588 1453 1 3 . 1 1 53 53 LYS C C 53 178.546 178.546 178.704 -0.158 17588 1454 1 3 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.104 1.616 17588 1455 1 3 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.932 0.319 17588 1456 1 3 . 1 1 53 53 LYS H H 53 8.132 8.132 7.600 0.532 17588 1457 1 3 . 1 1 54 54 LYS N N 54 119.514 119.514 120.707 -1.193 17588 1458 1 3 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.943 0.050 17588 1459 1 3 . 1 1 54 54 LYS C C 54 179.987 179.987 179.134 0.853 17588 1460 1 3 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.275 0.962 17588 1461 1 3 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.152 0.331 17588 1462 1 3 . 1 1 54 54 LYS H H 54 7.956 7.956 8.051 -0.095 17588 1463 1 3 . 1 1 55 55 MET N N 55 119.732 119.732 117.540 2.192 17588 1464 1 3 . 1 1 55 55 MET HA H 55 4.251 4.251 3.919 0.332 17588 1465 1 3 . 1 1 55 55 MET C C 55 177.536 177.536 178.286 -0.750 17588 1466 1 3 . 1 1 55 55 MET CA C 55 58.396 58.396 59.023 -0.627 17588 1467 1 3 . 1 1 55 55 MET CB C 55 34.228 34.228 32.218 2.010 17588 1468 1 3 . 1 1 55 55 MET H H 55 7.816 7.816 7.997 -0.181 17588 1469 1 3 . 1 1 56 56 ALA N N 56 122.295 122.295 122.086 0.209 17588 1470 1 3 . 1 1 56 56 ALA HA H 56 4.152 4.152 3.996 0.156 17588 1471 1 3 . 1 1 56 56 ALA C C 56 179.615 179.615 179.415 0.200 17588 1472 1 3 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.335 0.003 17588 1473 1 3 . 1 1 56 56 ALA CB C 56 19.106 19.106 17.888 1.218 17588 1474 1 3 . 1 1 56 56 ALA H H 56 8.724 8.724 7.750 0.974 17588 1475 1 3 . 1 1 57 57 LYS N N 57 117.704 117.704 119.135 -1.431 17588 1476 1 3 . 1 1 57 57 LYS HA H 57 4.084 4.084 3.969 0.115 17588 1477 1 3 . 1 1 57 57 LYS C C 57 179.358 179.358 178.915 0.443 17588 1478 1 3 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.669 0.305 17588 1479 1 3 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.341 0.160 17588 1480 1 3 . 1 1 57 57 LYS H H 57 8.444 8.444 8.027 0.417 17588 1481 1 3 . 1 1 58 58 ALA N N 58 122.736 122.736 121.257 1.479 17588 1482 1 3 . 1 1 58 58 ALA HA H 58 4.171 4.171 3.994 0.177 17588 1483 1 3 . 1 1 58 58 ALA C C 58 180.708 180.708 179.736 0.972 17588 1484 1 3 . 1 1 58 58 ALA CA C 58 55.111 55.111 54.988 0.123 17588 1485 1 3 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.346 -0.798 17588 1486 1 3 . 1 1 58 58 ALA H H 58 7.701 7.701 7.573 0.128 17588 1487 1 3 . 1 1 59 59 ILE N N 59 117.672 117.672 119.069 -1.397 17588 1488 1 3 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.924 -0.251 17588 1489 1 3 . 1 1 59 59 ILE C C 59 177.728 177.728 178.098 -0.370 17588 1490 1 3 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.856 -0.878 17588 1491 1 3 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.921 -0.108 17588 1492 1 3 . 1 1 59 59 ILE H H 59 7.547 7.547 7.670 -0.123 17588 1493 1 3 . 1 1 60 60 MET N N 60 117.653 117.653 116.502 1.151 17588 1494 1 3 . 1 1 60 60 MET HA H 60 4.098 4.098 4.162 -0.064 17588 1495 1 3 . 1 1 60 60 MET C C 60 178.085 178.085 177.905 0.180 17588 1496 1 3 . 1 1 60 60 MET CA C 60 58.060 58.060 58.180 -0.120 17588 1497 1 3 . 1 1 60 60 MET CB C 60 32.178 32.178 32.106 0.072 17588 1498 1 3 . 1 1 60 60 MET H H 60 7.718 7.718 8.291 -0.573 17588 1499 1 3 . 1 1 61 61 ALA N N 61 118.874 118.874 119.541 -0.667 17588 1500 1 3 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.392 -0.118 17588 1501 1 3 . 1 1 61 61 ALA C C 61 177.758 177.758 178.162 -0.404 17588 1502 1 3 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.526 0.916 17588 1503 1 3 . 1 1 61 61 ALA CB C 61 19.068 19.068 20.082 -1.014 17588 1504 1 3 . 1 1 61 61 ALA H H 61 7.513 7.513 7.657 -0.144 17588 1505 1 3 . 1 1 62 62 ASP N N 62 115.735 115.735 119.170 -3.435 17588 1506 1 3 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.148 -0.215 17588 1507 1 3 . 1 1 62 62 ASP C C 62 172.960 172.960 175.174 -2.214 17588 1508 1 3 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.345 -0.221 17588 1509 1 3 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.450 -0.066 17588 1510 1 3 . 1 1 62 62 ASP H H 62 7.615 7.615 8.075 -0.460 17588 1511 1 3 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.372 0.074 17588 1512 1 3 . 1 1 63 63 PRO C C 63 179.157 179.157 177.505 1.652 17588 1513 1 3 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.601 -0.202 17588 1514 1 3 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.347 -0.087 17588 1515 1 3 . 1 1 64 64 ASN N N 64 115.566 115.566 114.885 0.681 17588 1516 1 3 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.529 0.023 17588 1517 1 3 . 1 1 64 64 ASN C C 64 176.867 176.867 177.042 -0.175 17588 1518 1 3 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.660 -0.339 17588 1519 1 3 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.930 -0.029 17588 1520 1 3 . 1 1 64 64 ASN H H 64 8.094 8.094 8.588 -0.494 17588 1521 1 3 . 1 1 65 65 LYS N N 65 118.691 118.691 120.372 -1.681 17588 1522 1 3 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.068 0.110 17588 1523 1 3 . 1 1 65 65 LYS C C 65 175.844 175.844 177.912 -2.068 17588 1524 1 3 . 1 1 65 65 LYS CA C 65 56.234 56.234 57.942 -1.708 17588 1525 1 3 . 1 1 65 65 LYS CB C 65 32.877 32.877 32.185 0.692 17588 1526 1 3 . 1 1 65 65 LYS H H 65 8.185 8.185 7.486 0.699 17588 1527 1 3 . 1 1 66 66 ALA N N 66 120.147 120.147 122.064 -1.917 17588 1528 1 3 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.333 -0.291 17588 1529 1 3 . 1 1 66 66 ALA C C 66 176.697 176.697 178.614 -1.917 17588 1530 1 3 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.415 0.397 17588 1531 1 3 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.610 0.623 17588 1532 1 3 . 1 1 66 66 ALA H H 66 7.233 7.233 7.593 -0.360 17588 1533 1 3 . 1 1 67 67 ASP N N 67 114.524 114.524 118.077 -3.553 17588 1534 1 3 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.429 -0.256 17588 1535 1 3 . 1 1 67 67 ASP C C 67 178.071 178.071 178.614 -0.543 17588 1536 1 3 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.557 0.811 17588 1537 1 3 . 1 1 67 67 ASP CB C 67 40.644 40.644 39.970 0.674 17588 1538 1 3 . 1 1 67 67 ASP H H 67 8.114 8.114 8.444 -0.330 17588 1539 1 3 . 1 1 68 68 GLU N N 68 117.486 117.486 119.276 -1.790 17588 1540 1 3 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.999 -0.106 17588 1541 1 3 . 1 1 68 68 GLU C C 68 178.885 178.885 178.988 -0.103 17588 1542 1 3 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.744 0.001 17588 1543 1 3 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.158 0.503 17588 1544 1 3 . 1 1 68 68 GLU H H 68 7.846 7.846 7.754 0.092 17588 1545 1 3 . 1 1 69 69 VAL N N 69 120.957 120.957 120.516 0.441 17588 1546 1 3 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.206 -0.160 17588 1547 1 3 . 1 1 69 69 VAL C C 69 176.618 176.618 177.944 -1.326 17588 1548 1 3 . 1 1 69 69 VAL CA C 69 66.453 66.453 65.454 0.999 17588 1549 1 3 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.296 0.743 17588 1550 1 3 . 1 1 69 69 VAL H H 69 7.325 7.325 7.613 -0.288 17588 1551 1 3 . 1 1 70 70 TYR N N 70 117.638 117.638 117.119 0.519 17588 1552 1 3 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.038 0.137 17588 1553 1 3 . 1 1 70 70 TYR C C 70 178.493 178.493 178.047 0.446 17588 1554 1 3 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.983 -3.502 17588 1555 1 3 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.642 -2.779 17588 1556 1 3 . 1 1 70 70 TYR H H 70 8.483 8.483 8.023 0.460 17588 1557 1 3 . 1 1 71 71 LYS N N 71 117.283 117.283 118.055 -0.772 17588 1558 1 3 . 1 1 71 71 LYS HA H 71 4.214 4.214 3.930 0.284 17588 1559 1 3 . 1 1 71 71 LYS C C 71 178.790 178.790 178.968 -0.178 17588 1560 1 3 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.283 0.510 17588 1561 1 3 . 1 1 71 71 LYS CB C 71 32.507 32.507 31.916 0.591 17588 1562 1 3 . 1 1 71 71 LYS H H 71 7.754 7.754 7.808 -0.054 17588 1563 1 3 . 1 1 72 72 LYS N N 72 120.053 120.053 120.569 -0.516 17588 1564 1 3 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.940 0.201 17588 1565 1 3 . 1 1 72 72 LYS C C 72 180.399 180.399 178.953 1.446 17588 1566 1 3 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.451 0.277 17588 1567 1 3 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.111 -0.097 17588 1568 1 3 . 1 1 72 72 LYS H H 72 7.386 7.386 7.340 0.046 17588 1569 1 3 . 1 1 73 73 TRP N N 73 121.910 121.910 120.111 1.799 17588 1570 1 3 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.369 0.144 17588 1571 1 3 . 1 1 73 73 TRP C C 73 177.981 177.981 179.004 -1.023 17588 1572 1 3 . 1 1 73 73 TRP CA C 73 57.915 57.915 60.413 -2.498 17588 1573 1 3 . 1 1 73 73 TRP CB C 73 29.562 29.562 27.996 1.566 17588 1574 1 3 . 1 1 73 73 TRP H H 73 8.659 8.659 8.056 0.603 17588 1575 1 3 . 1 1 74 74 ALA N N 74 123.471 123.471 119.614 3.857 17588 1576 1 3 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.248 0.244 17588 1577 1 3 . 1 1 74 74 ALA C C 74 182.881 182.881 179.752 3.129 17588 1578 1 3 . 1 1 74 74 ALA CA C 74 55.349 55.349 54.932 0.417 17588 1579 1 3 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.474 -0.083 17588 1580 1 3 . 1 1 74 74 ALA H H 74 9.137 9.137 8.034 1.103 17588 1581 1 3 . 1 1 75 75 ASP N N 75 121.896 121.896 117.266 4.630 17588 1582 1 3 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.401 0.063 17588 1583 1 3 . 1 1 75 75 ASP C C 75 178.714 178.714 178.337 0.377 17588 1584 1 3 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.679 0.415 17588 1585 1 3 . 1 1 75 75 ASP CB C 75 40.585 40.585 41.009 -0.424 17588 1586 1 3 . 1 1 75 75 ASP H H 75 8.804 8.804 7.984 0.821 17588 1587 1 3 . 1 1 76 76 LYS N N 76 118.966 118.966 116.675 2.291 17588 1588 1 3 . 1 1 76 76 LYS HA H 76 4.029 4.029 3.981 0.048 17588 1589 1 3 . 1 1 76 76 LYS C C 76 176.868 176.868 177.951 -1.083 17588 1590 1 3 . 1 1 76 76 LYS CA C 76 56.497 56.497 57.079 -0.582 17588 1591 1 3 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.656 -0.970 17588 1592 1 3 . 1 1 76 76 LYS H H 76 7.630 7.630 8.120 -0.490 17588 1593 1 3 . 1 1 77 77 GLY N N 77 107.310 107.310 106.807 0.503 17588 1594 1 3 . 1 1 77 77 GLY C C 77 175.407 175.407 174.030 1.377 17588 1595 1 3 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.779 0.410 17588 1596 1 3 . 1 1 77 77 GLY H H 77 7.901 7.901 7.666 0.235 17588 1597 1 3 . 1 1 78 78 TYR N N 78 117.917 117.917 120.135 -2.218 17588 1598 1 3 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.899 0.393 17588 1599 1 3 . 1 1 78 78 TYR C C 78 178.422 178.422 175.131 3.291 17588 1600 1 3 . 1 1 78 78 TYR CA C 78 55.545 55.545 56.018 -0.473 17588 1601 1 3 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.495 -3.715 17588 1602 1 3 . 1 1 78 78 TYR H H 78 7.506 7.506 7.466 0.040 17588 1603 1 3 . 1 1 79 79 THR N N 79 119.420 119.420 113.583 5.837 17588 1604 1 3 . 1 1 79 79 THR HA H 79 4.518 4.518 4.830 -0.312 17588 1605 1 3 . 1 1 79 79 THR C C 79 175.648 175.648 175.442 0.206 17588 1606 1 3 . 1 1 79 79 THR CA C 79 60.027 60.027 60.050 -0.022 17588 1607 1 3 . 1 1 79 79 THR CB C 79 71.622 71.622 70.414 1.208 17588 1608 1 3 . 1 1 79 79 THR H H 79 8.957 8.957 8.370 0.587 17588 1609 1 3 . 1 1 80 80 LEU N N 80 119.655 119.655 125.012 -5.357 17588 1610 1 3 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.099 0.081 17588 1611 1 3 . 1 1 80 80 LEU C C 80 180.085 180.085 178.628 1.457 17588 1612 1 3 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.912 0.001 17588 1613 1 3 . 1 1 80 80 LEU CB C 80 39.653 39.653 42.084 -2.431 17588 1614 1 3 . 1 1 80 80 LEU H H 80 9.005 9.005 8.974 0.031 17588 1615 1 3 . 1 1 81 81 THR N N 81 115.259 115.259 114.174 1.085 17588 1616 1 3 . 1 1 81 81 THR HA H 81 3.939 3.939 3.807 0.132 17588 1617 1 3 . 1 1 81 81 THR C C 81 177.000 177.000 176.852 0.148 17588 1618 1 3 . 1 1 81 81 THR CA C 81 66.349 66.349 66.719 -0.370 17588 1619 1 3 . 1 1 81 81 THR CB C 81 68.591 68.591 68.449 0.142 17588 1620 1 3 . 1 1 81 81 THR H H 81 8.135 8.135 7.840 0.295 17588 1621 1 3 . 1 1 82 82 GLN N N 82 121.304 121.304 119.444 1.860 17588 1622 1 3 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.587 0.066 17588 1623 1 3 . 1 1 82 82 GLN C C 82 178.354 178.354 177.829 0.525 17588 1624 1 3 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.606 0.034 17588 1625 1 3 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.245 0.669 17588 1626 1 3 . 1 1 82 82 GLN H H 82 7.641 7.641 7.641 0.000 17588 1627 1 3 . 1 1 83 83 MET N N 83 117.464 117.464 119.844 -2.380 17588 1628 1 3 . 1 1 83 83 MET HA H 83 4.425 4.425 3.862 0.563 17588 1629 1 3 . 1 1 83 83 MET C C 83 177.906 177.906 177.847 0.059 17588 1630 1 3 . 1 1 83 83 MET CA C 83 55.462 55.462 58.217 -2.755 17588 1631 1 3 . 1 1 83 83 MET CB C 83 29.014 29.014 32.168 -3.154 17588 1632 1 3 . 1 1 83 83 MET H H 83 8.665 8.665 8.509 0.156 17588 1633 1 3 . 1 1 84 84 SER N N 84 114.879 114.879 115.041 -0.162 17588 1634 1 3 . 1 1 84 84 SER HA H 84 3.689 3.689 3.591 0.098 17588 1635 1 3 . 1 1 84 84 SER C C 84 176.666 176.666 176.380 0.286 17588 1636 1 3 . 1 1 84 84 SER CA C 84 61.347 61.347 62.135 -0.788 17588 1637 1 3 . 1 1 84 84 SER CB C 84 62.356 62.356 61.820 0.536 17588 1638 1 3 . 1 1 84 84 SER H H 84 8.607 8.607 8.486 0.121 17588 1639 1 3 . 1 1 85 85 ASN N N 85 117.904 117.904 120.859 -2.955 17588 1640 1 3 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.289 0.126 17588 1641 1 3 . 1 1 85 85 ASN C C 85 177.997 177.997 177.177 0.820 17588 1642 1 3 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.829 0.124 17588 1643 1 3 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.789 0.471 17588 1644 1 3 . 1 1 85 85 ASN H H 85 7.204 7.204 7.161 0.043 17588 1645 1 3 . 1 1 86 86 PHE N N 86 118.316 118.316 117.600 0.716 17588 1646 1 3 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.120 0.308 17588 1647 1 3 . 1 1 86 86 PHE C C 86 177.478 177.478 177.229 0.249 17588 1648 1 3 . 1 1 86 86 PHE CA C 86 58.394 58.394 60.231 -1.837 17588 1649 1 3 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.249 0.586 17588 1650 1 3 . 1 1 86 86 PHE H H 86 8.367 8.367 7.579 0.788 17588 1651 1 3 . 1 1 87 87 LEU N N 87 112.533 112.533 117.341 -4.808 17588 1652 1 3 . 1 1 87 87 LEU HA H 87 4.100 4.100 3.811 0.289 17588 1653 1 3 . 1 1 87 87 LEU C C 87 176.474 176.474 177.923 -1.449 17588 1654 1 3 . 1 1 87 87 LEU CA C 87 54.549 54.549 56.670 -2.121 17588 1655 1 3 . 1 1 87 87 LEU CB C 87 41.371 41.371 41.766 -0.395 17588 1656 1 3 . 1 1 87 87 LEU H H 87 7.778 7.778 7.953 -0.175 17588 1657 1 3 . 1 1 88 88 LYS N N 88 119.798 119.798 119.622 0.176 17588 1658 1 3 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.056 0.192 17588 1659 1 3 . 1 1 88 88 LYS C C 88 176.594 176.594 175.962 0.632 17588 1660 1 3 . 1 1 88 88 LYS CA C 88 57.674 57.674 57.205 0.470 17588 1661 1 3 . 1 1 88 88 LYS CB C 88 32.671 32.671 32.076 0.595 17588 1662 1 3 . 1 1 88 88 LYS H H 88 7.328 7.328 8.050 -0.723 17588 1663 1 3 . 1 1 89 89 SER N N 89 117.937 117.937 119.010 -1.073 17588 1664 1 3 . 1 1 89 89 SER HA H 89 4.785 4.785 4.548 0.237 17588 1665 1 3 . 1 1 89 89 SER CA C 89 57.375 57.375 57.221 0.154 17588 1666 1 3 . 1 1 89 89 SER CB C 89 64.838 64.838 63.166 1.672 17588 1667 1 3 . 1 1 89 89 SER H H 89 8.197 8.197 8.571 -0.374 17588 1668 1 3 . 1 1 90 90 LYS HA H 90 4.154 4.154 4.051 0.103 17588 1669 1 3 . 1 1 90 90 LYS C C 90 177.472 177.472 175.007 2.465 17588 1670 1 3 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.073 1.321 17588 1671 1 3 . 1 1 90 90 LYS CB C 90 31.767 31.767 30.169 1.598 17588 1672 1 3 . 1 1 90 90 LYS H H 90 7.981 7.981 8.263 -0.282 17588 1673 1 3 . 1 1 91 91 THR N N 91 113.435 113.435 113.044 0.391 17588 1674 1 3 . 1 1 91 91 THR HA H 91 4.342 4.342 4.535 -0.193 17588 1675 1 3 . 1 1 91 91 THR C C 91 174.236 174.236 174.812 -0.576 17588 1676 1 3 . 1 1 91 91 THR CA C 91 61.203 61.203 60.861 0.342 17588 1677 1 3 . 1 1 91 91 THR CB C 91 69.254 69.254 70.414 -1.160 17588 1678 1 3 . 1 1 91 91 THR H H 91 7.942 7.942 7.513 0.429 17588 1679 1 3 . 1 1 92 92 ALA N N 92 129.685 129.685 127.548 2.137 17588 1680 1 3 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.200 -0.022 17588 1681 1 3 . 1 1 92 92 ALA C C 92 178.710 178.710 178.109 0.601 17588 1682 1 3 . 1 1 92 92 ALA CA C 92 53.583 53.583 53.644 -0.061 17588 1683 1 3 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.999 -0.918 17588 1684 1 3 . 1 1 92 92 ALA H H 92 8.603 8.603 8.526 0.077 17588 1685 1 3 . 1 1 93 93 GLY N N 93 109.919 109.919 106.465 3.454 17588 1686 1 3 . 1 1 93 93 GLY C C 93 176.310 176.310 173.486 2.824 17588 1687 1 3 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.016 0.489 17588 1688 1 3 . 1 1 93 93 GLY H H 93 8.823 8.823 7.980 0.843 17588 1689 1 3 . 1 1 94 94 LYS N N 94 120.949 120.949 125.605 -4.656 17588 1690 1 3 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.225 -0.433 17588 1691 1 3 . 1 1 94 94 LYS C C 94 177.630 177.630 176.527 1.103 17588 1692 1 3 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.464 3.142 17588 1693 1 3 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.078 0.168 17588 1694 1 3 . 1 1 94 94 LYS H H 94 7.501 7.501 8.432 -0.931 17588 1695 1 3 . 1 1 95 95 TYR N N 95 113.034 113.034 118.066 -5.032 17588 1696 1 3 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.902 0.145 17588 1697 1 3 . 1 1 95 95 TYR C C 95 176.649 176.649 175.641 1.008 17588 1698 1 3 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.527 0.409 17588 1699 1 3 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.609 1.391 17588 1700 1 3 . 1 1 95 95 TYR H H 95 8.670 8.670 8.290 0.380 17588 1701 1 3 . 1 1 96 96 ASP N N 96 123.097 123.097 122.168 0.929 17588 1702 1 3 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.452 -0.123 17588 1703 1 3 . 1 1 96 96 ASP C C 96 178.087 178.087 178.224 -0.137 17588 1704 1 3 . 1 1 96 96 ASP CA C 96 58.619 58.619 57.394 1.225 17588 1705 1 3 . 1 1 96 96 ASP CB C 96 39.570 39.570 41.181 -1.611 17588 1706 1 3 . 1 1 96 96 ASP H H 96 7.756 7.756 8.659 -0.903 17588 1707 1 3 . 1 1 97 97 ARG N N 97 118.384 118.384 119.827 -1.443 17588 1708 1 3 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.175 0.087 17588 1709 1 3 . 1 1 97 97 ARG C C 97 179.927 179.927 178.321 1.606 17588 1710 1 3 . 1 1 97 97 ARG CA C 97 59.746 59.746 58.999 0.747 17588 1711 1 3 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.820 -0.026 17588 1712 1 3 . 1 1 97 97 ARG H H 97 8.897 8.897 8.491 0.406 17588 1713 1 3 . 1 1 98 98 VAL N N 98 119.642 119.642 119.179 0.463 17588 1714 1 3 . 1 1 98 98 VAL HA H 98 3.938 3.938 3.910 0.028 17588 1715 1 3 . 1 1 98 98 VAL C C 98 179.630 179.630 178.326 1.304 17588 1716 1 3 . 1 1 98 98 VAL CA C 98 65.804 65.804 66.953 -1.149 17588 1717 1 3 . 1 1 98 98 VAL CB C 98 32.054 32.054 32.046 0.008 17588 1718 1 3 . 1 1 98 98 VAL H H 98 7.578 7.578 8.176 -0.598 17588 1719 1 3 . 1 1 99 99 TYR N N 99 122.432 122.432 119.594 2.838 17588 1720 1 3 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.079 -0.145 17588 1721 1 3 . 1 1 99 99 TYR C C 99 176.400 176.400 177.393 -0.993 17588 1722 1 3 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.345 1.561 17588 1723 1 3 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.299 0.023 17588 1724 1 3 . 1 1 99 99 TYR H H 99 8.635 8.635 8.464 0.171 17588 1725 1 3 . 1 1 100 100 ASN N N 100 117.211 117.211 117.983 -0.772 17588 1726 1 3 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.073 0.213 17588 1727 1 3 . 1 1 100 100 ASN C C 100 178.488 178.488 177.510 0.978 17588 1728 1 3 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.182 -0.326 17588 1729 1 3 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.969 -0.120 17588 1730 1 3 . 1 1 100 100 ASN H H 100 9.024 9.024 8.475 0.549 17588 1731 1 3 . 1 1 101 101 GLY N N 101 105.413 105.413 107.727 -2.314 17588 1732 1 3 . 1 1 101 101 GLY C C 101 175.833 175.833 175.586 0.247 17588 1733 1 3 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.221 -0.189 17588 1734 1 3 . 1 1 101 101 GLY H H 101 7.908 7.908 7.848 0.060 17588 1735 1 3 . 1 1 102 102 TYR N N 102 126.373 126.373 123.429 2.944 17588 1736 1 3 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.926 -0.459 17588 1737 1 3 . 1 1 102 102 TYR C C 102 176.016 176.016 177.754 -1.738 17588 1738 1 3 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.888 -1.335 17588 1739 1 3 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.444 -0.554 17588 1740 1 3 . 1 1 102 102 TYR H H 102 7.581 7.581 7.456 0.125 17588 1741 1 3 . 1 1 103 103 VAL N N 103 117.870 117.870 118.442 -0.572 17588 1742 1 3 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.315 -0.173 17588 1743 1 3 . 1 1 103 103 VAL C C 103 178.786 178.786 178.078 0.708 17588 1744 1 3 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.794 -0.217 17588 1745 1 3 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.832 0.915 17588 1746 1 3 . 1 1 103 103 VAL H H 103 7.510 7.510 7.530 -0.020 17588 1747 1 3 . 1 1 104 104 ILE N N 104 116.770 116.770 118.400 -1.630 17588 1748 1 3 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.510 0.182 17588 1749 1 3 . 1 1 104 104 ILE C C 104 178.703 178.703 178.458 0.245 17588 1750 1 3 . 1 1 104 104 ILE CA C 104 63.837 63.837 65.110 -1.273 17588 1751 1 3 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.568 0.364 17588 1752 1 3 . 1 1 104 104 ILE H H 104 7.056 7.056 7.283 -0.227 17588 1753 1 3 . 1 1 105 105 HIS N N 105 121.324 121.324 119.644 1.680 17588 1754 1 3 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.092 -0.140 17588 1755 1 3 . 1 1 105 105 HIS C C 105 176.974 176.974 177.750 -0.776 17588 1756 1 3 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.901 0.249 17588 1757 1 3 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.676 0.848 17588 1758 1 3 . 1 1 105 105 HIS H H 105 7.864 7.864 7.618 0.246 17588 1759 1 3 . 1 1 106 106 LEU N N 106 115.126 115.126 116.828 -1.702 17588 1760 1 3 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.271 -0.436 17588 1761 1 3 . 1 1 106 106 LEU C C 106 177.315 177.315 177.855 -0.540 17588 1762 1 3 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.194 -1.487 17588 1763 1 3 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.689 0.352 17588 1764 1 3 . 1 1 106 106 LEU H H 106 7.517 7.517 7.824 -0.307 17588 1765 1 3 . 1 1 107 107 ASP N N 107 119.221 119.221 118.149 1.072 17588 1766 1 3 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.403 0.098 17588 1767 1 3 . 1 1 107 107 ASP C C 107 175.224 175.224 176.954 -1.730 17588 1768 1 3 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.469 -0.851 17588 1769 1 3 . 1 1 107 107 ASP CB C 107 40.765 40.765 41.405 -0.640 17588 1770 1 3 . 1 1 107 107 ASP H H 107 7.512 7.512 7.785 -0.273 17588 1771 1 4 . 1 1 6 6 SER HA H 6 4.480 4.480 5.269 -0.789 17588 1772 1 4 . 1 1 6 6 SER C C 6 174.995 174.995 172.685 2.310 17588 1773 1 4 . 1 1 6 6 SER CA C 6 58.675 58.675 57.871 0.804 17588 1774 1 4 . 1 1 6 6 SER CB C 6 63.822 63.822 65.097 -1.275 17588 1775 1 4 . 1 1 7 7 GLY N N 7 110.458 110.458 112.627 -2.169 17588 1776 1 4 . 1 1 7 7 GLY C C 7 173.853 173.853 172.648 1.205 17588 1777 1 4 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.032 0.315 17588 1778 1 4 . 1 1 7 7 GLY H H 7 8.394 8.394 8.592 -0.198 17588 1779 1 4 . 1 1 8 8 ASN N N 8 119.020 119.020 120.603 -1.583 17588 1780 1 4 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.946 -0.189 17588 1781 1 4 . 1 1 8 8 ASN C C 8 175.389 175.389 173.774 1.615 17588 1782 1 4 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.866 0.365 17588 1783 1 4 . 1 1 8 8 ASN CB C 8 38.959 38.959 41.021 -2.062 17588 1784 1 4 . 1 1 8 8 ASN H H 8 8.308 8.308 8.398 -0.090 17588 1785 1 4 . 1 1 9 9 VAL N N 9 120.281 120.281 120.769 -0.488 17588 1786 1 4 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.414 -0.299 17588 1787 1 4 . 1 1 9 9 VAL C C 9 175.980 175.980 174.614 1.366 17588 1788 1 4 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.007 0.461 17588 1789 1 4 . 1 1 9 9 VAL CB C 9 32.712 32.712 33.703 -0.991 17588 1790 1 4 . 1 1 9 9 VAL H H 9 8.173 8.173 8.426 -0.253 17588 1791 1 4 . 1 1 10 10 ASP N N 10 123.840 123.840 121.052 2.788 17588 1792 1 4 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.779 -0.155 17588 1793 1 4 . 1 1 10 10 ASP C C 10 176.599 176.599 175.548 1.051 17588 1794 1 4 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.145 1.245 17588 1795 1 4 . 1 1 10 10 ASP CB C 10 41.343 41.343 43.351 -2.008 17588 1796 1 4 . 1 1 10 10 ASP H H 10 8.418 8.418 8.123 0.295 17588 1797 1 4 . 1 1 11 11 SER N N 11 117.003 117.003 115.705 1.298 17588 1798 1 4 . 1 1 11 11 SER HA H 11 4.395 4.395 4.714 -0.319 17588 1799 1 4 . 1 1 11 11 SER C C 11 174.834 174.834 173.978 0.856 17588 1800 1 4 . 1 1 11 11 SER CA C 11 58.886 58.886 57.669 1.217 17588 1801 1 4 . 1 1 11 11 SER CB C 11 63.740 63.740 64.932 -1.192 17588 1802 1 4 . 1 1 11 11 SER H H 11 8.312 8.312 8.330 -0.018 17588 1803 1 4 . 1 1 12 12 ASN N N 12 120.512 120.512 119.498 1.014 17588 1804 1 4 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.842 -0.157 17588 1805 1 4 . 1 1 12 12 ASN C C 12 175.646 175.646 174.724 0.922 17588 1806 1 4 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.775 1.018 17588 1807 1 4 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.403 -0.773 17588 1808 1 4 . 1 1 12 12 ASN H H 12 8.511 8.511 8.426 0.085 17588 1809 1 4 . 1 1 13 13 GLN N N 13 120.057 120.057 119.687 0.370 17588 1810 1 4 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.544 -0.306 17588 1811 1 4 . 1 1 13 13 GLN C C 13 175.988 175.988 174.662 1.326 17588 1812 1 4 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.101 1.346 17588 1813 1 4 . 1 1 13 13 GLN CB C 13 29.137 29.137 30.477 -1.340 17588 1814 1 4 . 1 1 13 13 GLN H H 13 8.258 8.258 8.345 -0.087 17588 1815 1 4 . 1 1 14 14 ASN N N 14 119.323 119.323 118.728 0.595 17588 1816 1 4 . 1 1 14 14 ASN HA H 14 4.685 4.685 5.004 -0.319 17588 1817 1 4 . 1 1 14 14 ASN C C 14 175.552 175.552 174.068 1.484 17588 1818 1 4 . 1 1 14 14 ASN CA C 14 53.565 53.565 53.126 0.439 17588 1819 1 4 . 1 1 14 14 ASN CB C 14 38.763 38.763 40.018 -1.255 17588 1820 1 4 . 1 1 14 14 ASN H H 14 8.377 8.377 8.646 -0.269 17588 1821 1 4 . 1 1 15 15 LYS N N 15 121.938 121.938 118.238 3.700 17588 1822 1 4 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.734 -0.520 17588 1823 1 4 . 1 1 15 15 LYS C C 15 176.933 176.933 174.334 2.599 17588 1824 1 4 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.674 1.561 17588 1825 1 4 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.797 -1.044 17588 1826 1 4 . 1 1 15 15 LYS H H 15 8.224 8.224 8.588 -0.364 17588 1827 1 4 . 1 1 16 16 ALA N N 16 123.956 123.956 122.657 1.299 17588 1828 1 4 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.626 -0.352 17588 1829 1 4 . 1 1 16 16 ALA C C 16 178.593 178.593 176.578 2.015 17588 1830 1 4 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.668 1.774 17588 1831 1 4 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.291 -1.428 17588 1832 1 4 . 1 1 16 16 ALA H H 16 8.292 8.292 8.125 0.167 17588 1833 1 4 . 1 1 17 17 SER N N 17 114.462 114.462 116.332 -1.870 17588 1834 1 4 . 1 1 17 17 SER HA H 17 4.365 4.365 4.609 -0.244 17588 1835 1 4 . 1 1 17 17 SER C C 17 175.370 175.370 173.647 1.723 17588 1836 1 4 . 1 1 17 17 SER CA C 17 59.077 59.077 58.251 0.826 17588 1837 1 4 . 1 1 17 17 SER CB C 17 63.383 63.383 62.668 0.715 17588 1838 1 4 . 1 1 17 17 SER H H 17 8.200 8.200 8.315 -0.115 17588 1839 1 4 . 1 1 18 18 MET N N 18 121.999 121.999 125.997 -3.998 17588 1840 1 4 . 1 1 18 18 MET HA H 18 4.429 4.429 4.395 0.034 17588 1841 1 4 . 1 1 18 18 MET C C 18 176.829 176.829 175.483 1.346 17588 1842 1 4 . 1 1 18 18 MET CA C 18 56.357 56.357 55.715 0.642 17588 1843 1 4 . 1 1 18 18 MET CB C 18 32.630 32.630 33.224 -0.594 17588 1844 1 4 . 1 1 18 18 MET H H 18 8.214 8.214 8.198 0.016 17588 1845 1 4 . 1 1 19 19 LEU N N 19 122.083 122.083 123.862 -1.779 17588 1846 1 4 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.772 -0.516 17588 1847 1 4 . 1 1 19 19 LEU C C 19 177.774 177.774 175.694 2.080 17588 1848 1 4 . 1 1 19 19 LEU CA C 19 56.111 56.111 55.156 0.956 17588 1849 1 4 . 1 1 19 19 LEU CB C 19 42.041 42.041 43.738 -1.697 17588 1850 1 4 . 1 1 19 19 LEU H H 19 8.076 8.076 8.227 -0.151 17588 1851 1 4 . 1 1 20 20 GLN N N 20 120.123 120.123 122.729 -2.606 17588 1852 1 4 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.531 -0.324 17588 1853 1 4 . 1 1 20 20 GLN C C 20 176.166 176.166 173.859 2.307 17588 1854 1 4 . 1 1 20 20 GLN CA C 20 56.409 56.409 55.810 0.599 17588 1855 1 4 . 1 1 20 20 GLN CB C 20 29.196 29.196 30.349 -1.153 17588 1856 1 4 . 1 1 20 20 GLN H H 20 8.174 8.174 8.468 -0.294 17588 1857 1 4 . 1 1 21 21 ALA N N 21 124.216 124.216 126.067 -1.851 17588 1858 1 4 . 1 1 21 21 ALA HA H 21 4.254 4.254 5.037 -0.783 17588 1859 1 4 . 1 1 21 21 ALA C C 21 178.034 178.034 175.340 2.694 17588 1860 1 4 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.624 1.502 17588 1861 1 4 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.912 -1.841 17588 1862 1 4 . 1 1 21 21 ALA H H 21 8.151 8.151 8.684 -0.533 17588 1863 1 4 . 1 1 22 22 ARG N N 22 119.591 119.591 120.132 -0.541 17588 1864 1 4 . 1 1 22 22 ARG HA H 22 4.308 4.308 5.234 -0.926 17588 1865 1 4 . 1 1 22 22 ARG C C 22 176.750 176.750 175.083 1.667 17588 1866 1 4 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.309 1.117 17588 1867 1 4 . 1 1 22 22 ARG CB C 22 30.616 30.616 33.099 -2.483 17588 1868 1 4 . 1 1 22 22 ARG H H 22 8.147 8.147 9.011 -0.864 17588 1869 1 4 . 1 1 23 23 LEU N N 23 122.553 122.553 118.518 4.035 17588 1870 1 4 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.979 -0.705 17588 1871 1 4 . 1 1 23 23 LEU C C 23 177.547 177.547 174.777 2.770 17588 1872 1 4 . 1 1 23 23 LEU CA C 23 55.690 55.690 53.941 1.749 17588 1873 1 4 . 1 1 23 23 LEU CB C 23 42.082 42.082 44.785 -2.703 17588 1874 1 4 . 1 1 23 23 LEU H H 23 8.220 8.220 8.751 -0.531 17588 1875 1 4 . 1 1 24 24 ASN N N 24 118.666 118.666 117.462 1.204 17588 1876 1 4 . 1 1 24 24 ASN HA H 24 4.673 4.673 5.328 -0.655 17588 1877 1 4 . 1 1 24 24 ASN C C 24 175.246 175.246 172.996 2.250 17588 1878 1 4 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.918 0.647 17588 1879 1 4 . 1 1 24 24 ASN CB C 24 38.836 38.836 41.095 -2.259 17588 1880 1 4 . 1 1 24 24 ASN H H 24 8.351 8.351 9.205 -0.854 17588 1881 1 4 . 1 1 25 25 ASP N N 25 120.897 120.897 119.976 0.921 17588 1882 1 4 . 1 1 25 25 ASP HA H 25 4.576 4.576 5.056 -0.480 17588 1883 1 4 . 1 1 25 25 ASP C C 25 176.732 176.732 174.080 2.652 17588 1884 1 4 . 1 1 25 25 ASP CA C 25 54.706 54.706 54.195 0.511 17588 1885 1 4 . 1 1 25 25 ASP CB C 25 41.219 41.219 42.840 -1.621 17588 1886 1 4 . 1 1 25 25 ASP H H 25 8.234 8.234 8.821 -0.587 17588 1887 1 4 . 1 1 26 26 GLU N N 26 121.168 121.168 121.176 -0.008 17588 1888 1 4 . 1 1 26 26 GLU HA H 26 4.214 4.214 5.162 -0.948 17588 1889 1 4 . 1 1 26 26 GLU C C 26 176.857 176.857 174.498 2.359 17588 1890 1 4 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.446 1.801 17588 1891 1 4 . 1 1 26 26 GLU CB C 26 29.959 29.959 31.378 -1.419 17588 1892 1 4 . 1 1 26 26 GLU H H 26 8.368 8.368 8.709 -0.341 17588 1893 1 4 . 1 1 27 27 ALA N N 27 124.100 124.100 124.187 -0.087 17588 1894 1 4 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.775 -0.458 17588 1895 1 4 . 1 1 27 27 ALA C C 27 178.520 178.520 175.731 2.789 17588 1896 1 4 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.374 0.612 17588 1897 1 4 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.968 -1.023 17588 1898 1 4 . 1 1 27 27 ALA H H 27 8.289 8.289 8.575 -0.286 17588 1899 1 4 . 1 1 28 28 GLY N N 28 107.844 107.844 107.662 0.182 17588 1900 1 4 . 1 1 28 28 GLY C C 28 175.019 175.019 173.140 1.879 17588 1901 1 4 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.180 0.448 17588 1902 1 4 . 1 1 28 28 GLY H H 28 8.315 8.315 8.333 -0.018 17588 1903 1 4 . 1 1 29 29 GLY N N 29 108.754 108.754 108.283 0.471 17588 1904 1 4 . 1 1 29 29 GLY C C 29 174.659 174.659 173.725 0.934 17588 1905 1 4 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.152 0.335 17588 1906 1 4 . 1 1 29 29 GLY H H 29 8.266 8.266 9.274 -1.008 17588 1907 1 4 . 1 1 30 30 THR N N 30 114.068 114.068 112.058 2.010 17588 1908 1 4 . 1 1 30 30 THR HA H 30 4.301 4.301 4.961 -0.660 17588 1909 1 4 . 1 1 30 30 THR C C 30 174.789 174.789 173.233 1.556 17588 1910 1 4 . 1 1 30 30 THR CA C 30 62.327 62.327 61.367 0.960 17588 1911 1 4 . 1 1 30 30 THR CB C 30 69.553 69.553 71.826 -2.273 17588 1912 1 4 . 1 1 30 30 THR H H 30 8.111 8.111 8.883 -0.772 17588 1913 1 4 . 1 1 31 31 ARG N N 31 123.536 123.536 120.850 2.686 17588 1914 1 4 . 1 1 31 31 ARG HA H 31 4.299 4.299 5.022 -0.723 17588 1915 1 4 . 1 1 31 31 ARG C C 31 176.125 176.125 174.045 2.080 17588 1916 1 4 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.236 1.226 17588 1917 1 4 . 1 1 31 31 ARG CB C 31 30.657 30.657 31.658 -1.001 17588 1918 1 4 . 1 1 31 31 ARG H H 31 8.343 8.343 8.907 -0.564 17588 1919 1 4 . 1 1 32 32 LEU N N 32 122.865 122.865 122.001 0.864 17588 1920 1 4 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.936 -0.617 17588 1921 1 4 . 1 1 32 32 LEU C C 32 177.036 177.036 175.783 1.253 17588 1922 1 4 . 1 1 32 32 LEU CA C 32 55.233 55.233 53.498 1.734 17588 1923 1 4 . 1 1 32 32 LEU CB C 32 42.264 42.264 44.421 -2.157 17588 1924 1 4 . 1 1 32 32 LEU H H 32 8.203 8.203 8.470 -0.267 17588 1925 1 4 . 1 1 33 33 LEU N N 33 123.054 123.054 121.032 2.022 17588 1926 1 4 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.827 -0.491 17588 1927 1 4 . 1 1 33 33 LEU C C 33 177.022 177.022 176.122 0.900 17588 1928 1 4 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.275 0.794 17588 1929 1 4 . 1 1 33 33 LEU CB C 33 42.288 42.288 43.102 -0.814 17588 1930 1 4 . 1 1 33 33 LEU H H 33 8.150 8.150 8.211 -0.061 17588 1931 1 4 . 1 1 34 34 ARG N N 34 122.226 122.226 121.051 1.175 17588 1932 1 4 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.622 -0.285 17588 1933 1 4 . 1 1 34 34 ARG C C 34 175.950 175.950 174.727 1.223 17588 1934 1 4 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.768 0.150 17588 1935 1 4 . 1 1 34 34 ARG CB C 34 30.781 30.781 31.396 -0.615 17588 1936 1 4 . 1 1 34 34 ARG H H 34 8.248 8.248 8.312 -0.064 17588 1937 1 4 . 1 1 35 35 VAL N N 35 121.294 121.294 122.811 -1.517 17588 1938 1 4 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.277 -0.236 17588 1939 1 4 . 1 1 35 35 VAL C C 35 175.709 175.709 175.645 0.064 17588 1940 1 4 . 1 1 35 35 VAL CA C 35 62.240 62.240 61.418 0.822 17588 1941 1 4 . 1 1 35 35 VAL CB C 35 32.753 32.753 33.482 -0.729 17588 1942 1 4 . 1 1 35 35 VAL H H 35 8.107 8.107 8.250 -0.143 17588 1943 1 4 . 1 1 36 36 HIS N N 36 123.522 123.522 123.975 -0.453 17588 1944 1 4 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.859 -0.261 17588 1945 1 4 . 1 1 36 36 HIS C C 36 174.825 174.825 174.866 -0.041 17588 1946 1 4 . 1 1 36 36 HIS CA C 36 56.111 56.111 55.550 0.561 17588 1947 1 4 . 1 1 36 36 HIS CB C 36 30.944 30.944 31.131 -0.187 17588 1948 1 4 . 1 1 36 36 HIS H H 36 8.410 8.410 8.571 -0.161 17588 1949 1 4 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.688 -0.088 17588 1950 1 4 . 1 1 37 37 HIS C C 37 175.173 175.173 174.778 0.395 17588 1951 1 4 . 1 1 37 37 HIS CA C 37 56.217 56.217 55.248 0.969 17588 1952 1 4 . 1 1 37 37 HIS CB C 37 31.027 31.027 29.861 1.165 17588 1953 1 4 . 1 1 38 38 GLU N N 38 122.826 122.826 126.713 -3.887 17588 1954 1 4 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.206 0.049 17588 1955 1 4 . 1 1 38 38 GLU C C 38 176.483 176.483 175.261 1.222 17588 1956 1 4 . 1 1 38 38 GLU CA C 38 56.919 56.919 56.660 0.259 17588 1957 1 4 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.655 -0.327 17588 1958 1 4 . 1 1 38 38 GLU H H 38 8.569 8.569 8.751 -0.182 17588 1959 1 4 . 1 1 39 39 SER N N 39 116.398 116.398 116.249 0.149 17588 1960 1 4 . 1 1 39 39 SER HA H 39 4.454 4.454 4.331 0.123 17588 1961 1 4 . 1 1 39 39 SER C C 39 174.497 174.497 173.852 0.645 17588 1962 1 4 . 1 1 39 39 SER CA C 39 58.552 58.552 57.746 0.806 17588 1963 1 4 . 1 1 39 39 SER CB C 39 64.028 64.028 63.843 0.185 17588 1964 1 4 . 1 1 39 39 SER H H 39 8.444 8.444 8.351 0.093 17588 1965 1 4 . 1 1 40 40 ASP N N 40 122.831 122.831 121.553 1.278 17588 1966 1 4 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.597 0.075 17588 1967 1 4 . 1 1 40 40 ASP C C 40 176.783 176.783 175.563 1.220 17588 1968 1 4 . 1 1 40 40 ASP CA C 40 54.759 54.759 53.523 1.236 17588 1969 1 4 . 1 1 40 40 ASP CB C 40 41.014 41.014 40.133 0.881 17588 1970 1 4 . 1 1 40 40 ASP H H 40 8.469 8.469 8.437 0.032 17588 1971 1 4 . 1 1 41 41 THR N N 41 113.679 113.679 115.107 -1.428 17588 1972 1 4 . 1 1 41 41 THR HA H 41 4.181 4.181 4.370 -0.189 17588 1973 1 4 . 1 1 41 41 THR C C 41 175.314 175.314 174.762 0.552 17588 1974 1 4 . 1 1 41 41 THR CA C 41 62.819 62.819 61.263 1.556 17588 1975 1 4 . 1 1 41 41 THR CB C 41 69.576 69.576 70.024 -0.448 17588 1976 1 4 . 1 1 41 41 THR H H 41 8.066 8.066 8.121 -0.055 17588 1977 1 4 . 1 1 42 42 GLU N N 42 122.776 122.776 127.306 -4.530 17588 1978 1 4 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.294 -0.086 17588 1979 1 4 . 1 1 42 42 GLU C C 42 177.129 177.129 176.080 1.049 17588 1980 1 4 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.098 1.224 17588 1981 1 4 . 1 1 42 42 GLU CB C 42 30.000 30.000 29.399 0.601 17588 1982 1 4 . 1 1 42 42 GLU H H 42 8.343 8.343 8.743 -0.400 17588 1983 1 4 . 1 1 43 43 GLU N N 43 121.898 121.898 124.245 -2.347 17588 1984 1 4 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.315 -0.104 17588 1985 1 4 . 1 1 43 43 GLU C C 43 177.313 177.313 176.055 1.258 17588 1986 1 4 . 1 1 43 43 GLU CA C 43 57.453 57.453 57.817 -0.364 17588 1987 1 4 . 1 1 43 43 GLU CB C 43 29.959 29.959 30.357 -0.398 17588 1988 1 4 . 1 1 43 43 GLU H H 43 8.397 8.397 8.352 0.045 17588 1989 1 4 . 1 1 44 44 ARG N N 44 121.336 121.336 120.381 0.955 17588 1990 1 4 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.048 0.178 17588 1991 1 4 . 1 1 44 44 ARG C C 44 178.048 178.048 177.655 0.393 17588 1992 1 4 . 1 1 44 44 ARG CA C 44 57.779 57.779 57.152 0.627 17588 1993 1 4 . 1 1 44 44 ARG CB C 44 30.366 30.366 30.211 0.155 17588 1994 1 4 . 1 1 44 44 ARG H H 44 8.401 8.401 8.321 0.080 17588 1995 1 4 . 1 1 45 45 GLY N N 45 109.098 109.098 114.822 -5.724 17588 1996 1 4 . 1 1 45 45 GLY C C 45 175.522 175.522 175.117 0.405 17588 1997 1 4 . 1 1 45 45 GLY CA C 45 46.400 46.400 46.204 0.196 17588 1998 1 4 . 1 1 45 45 GLY H H 45 8.536 8.536 8.790 -0.254 17588 1999 1 4 . 1 1 46 46 PHE N N 46 121.592 121.592 123.422 -1.830 17588 2000 1 4 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.228 0.189 17588 2001 1 4 . 1 1 46 46 PHE C C 46 177.561 177.561 176.291 1.270 17588 2002 1 4 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.546 -1.466 17588 2003 1 4 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.187 -0.276 17588 2004 1 4 . 1 1 46 46 PHE H H 46 8.071 8.071 7.799 0.272 17588 2005 1 4 . 1 1 47 47 LEU N N 47 121.344 121.344 119.034 2.310 17588 2006 1 4 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.548 0.494 17588 2007 1 4 . 1 1 47 47 LEU C C 47 179.621 179.621 178.773 0.848 17588 2008 1 4 . 1 1 47 47 LEU CA C 47 57.460 57.460 58.142 -0.682 17588 2009 1 4 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.556 0.081 17588 2010 1 4 . 1 1 47 47 LEU H H 47 8.215 8.215 8.273 -0.058 17588 2011 1 4 . 1 1 48 48 GLU N N 48 121.986 121.986 118.771 3.215 17588 2012 1 4 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.790 0.198 17588 2013 1 4 . 1 1 48 48 GLU C C 48 177.573 177.573 178.161 -0.588 17588 2014 1 4 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.283 0.024 17588 2015 1 4 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.119 0.529 17588 2016 1 4 . 1 1 48 48 GLU H H 48 8.225 8.225 8.331 -0.106 17588 2017 1 4 . 1 1 49 49 LYS N N 49 118.759 118.759 119.364 -0.605 17588 2018 1 4 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.556 -0.313 17588 2019 1 4 . 1 1 49 49 LYS C C 49 177.659 177.659 178.389 -0.730 17588 2020 1 4 . 1 1 49 49 LYS CA C 49 59.886 59.886 58.971 0.915 17588 2021 1 4 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.422 -0.120 17588 2022 1 4 . 1 1 49 49 LYS H H 49 7.790 7.790 7.976 -0.186 17588 2023 1 4 . 1 1 50 50 ALA N N 50 120.023 120.023 121.149 -1.126 17588 2024 1 4 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.766 0.193 17588 2025 1 4 . 1 1 50 50 ALA C C 50 180.486 180.486 179.359 1.127 17588 2026 1 4 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.939 -0.057 17588 2027 1 4 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.633 0.244 17588 2028 1 4 . 1 1 50 50 ALA H H 50 7.798 7.798 8.017 -0.219 17588 2029 1 4 . 1 1 51 51 ALA N N 51 121.955 121.955 120.773 1.182 17588 2030 1 4 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.891 0.222 17588 2031 1 4 . 1 1 51 51 ALA C C 51 180.762 180.762 179.648 1.114 17588 2032 1 4 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.089 0.022 17588 2033 1 4 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.019 0.022 17588 2034 1 4 . 1 1 51 51 ALA H H 51 7.809 7.809 7.434 0.375 17588 2035 1 4 . 1 1 52 52 VAL N N 52 120.415 120.415 118.336 2.079 17588 2036 1 4 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.684 -0.034 17588 2037 1 4 . 1 1 52 52 VAL C C 52 178.567 178.567 178.384 0.183 17588 2038 1 4 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.962 0.265 17588 2039 1 4 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.798 0.312 17588 2040 1 4 . 1 1 52 52 VAL H H 52 7.944 7.944 7.481 0.463 17588 2041 1 4 . 1 1 53 53 LYS N N 53 119.231 119.231 119.026 0.205 17588 2042 1 4 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.737 -0.173 17588 2043 1 4 . 1 1 53 53 LYS C C 53 178.546 178.546 179.277 -0.731 17588 2044 1 4 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.229 1.491 17588 2045 1 4 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.698 0.553 17588 2046 1 4 . 1 1 53 53 LYS H H 53 8.132 8.132 8.417 -0.285 17588 2047 1 4 . 1 1 54 54 LYS N N 54 119.514 119.514 119.702 -0.188 17588 2048 1 4 . 1 1 54 54 LYS HA H 54 3.993 3.993 4.053 -0.060 17588 2049 1 4 . 1 1 54 54 LYS C C 54 179.987 179.987 179.135 0.852 17588 2050 1 4 . 1 1 54 54 LYS CA C 54 60.237 60.237 58.936 1.301 17588 2051 1 4 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.138 0.345 17588 2052 1 4 . 1 1 54 54 LYS H H 54 7.956 7.956 8.077 -0.121 17588 2053 1 4 . 1 1 55 55 MET N N 55 119.732 119.732 117.913 1.819 17588 2054 1 4 . 1 1 55 55 MET HA H 55 4.251 4.251 4.138 0.113 17588 2055 1 4 . 1 1 55 55 MET C C 55 177.536 177.536 178.481 -0.945 17588 2056 1 4 . 1 1 55 55 MET CA C 55 58.396 58.396 58.718 -0.322 17588 2057 1 4 . 1 1 55 55 MET CB C 55 34.228 34.228 32.417 1.811 17588 2058 1 4 . 1 1 55 55 MET H H 55 7.816 7.816 8.021 -0.205 17588 2059 1 4 . 1 1 56 56 ALA N N 56 122.295 122.295 122.557 -0.262 17588 2060 1 4 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.208 -0.056 17588 2061 1 4 . 1 1 56 56 ALA C C 56 179.615 179.615 179.472 0.143 17588 2062 1 4 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.582 -0.244 17588 2063 1 4 . 1 1 56 56 ALA CB C 56 19.106 19.106 17.990 1.116 17588 2064 1 4 . 1 1 56 56 ALA H H 56 8.724 8.724 8.681 0.043 17588 2065 1 4 . 1 1 57 57 LYS N N 57 117.704 117.704 119.002 -1.298 17588 2066 1 4 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.200 -0.116 17588 2067 1 4 . 1 1 57 57 LYS C C 57 179.358 179.358 179.015 0.343 17588 2068 1 4 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.825 0.149 17588 2069 1 4 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.337 0.164 17588 2070 1 4 . 1 1 57 57 LYS H H 57 8.444 8.444 7.892 0.552 17588 2071 1 4 . 1 1 58 58 ALA N N 58 122.736 122.736 120.654 2.082 17588 2072 1 4 . 1 1 58 58 ALA HA H 58 4.171 4.171 3.989 0.182 17588 2073 1 4 . 1 1 58 58 ALA C C 58 180.708 180.708 179.303 1.405 17588 2074 1 4 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.135 -0.024 17588 2075 1 4 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.244 -0.696 17588 2076 1 4 . 1 1 58 58 ALA H H 58 7.701 7.701 7.483 0.218 17588 2077 1 4 . 1 1 59 59 ILE N N 59 117.672 117.672 119.202 -1.530 17588 2078 1 4 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.958 -0.285 17588 2079 1 4 . 1 1 59 59 ILE C C 59 177.728 177.728 178.332 -0.604 17588 2080 1 4 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.619 -0.641 17588 2081 1 4 . 1 1 59 59 ILE CB C 59 37.813 37.813 38.007 -0.194 17588 2082 1 4 . 1 1 59 59 ILE H H 59 7.547 7.547 7.477 0.070 17588 2083 1 4 . 1 1 60 60 MET N N 60 117.653 117.653 116.678 0.975 17588 2084 1 4 . 1 1 60 60 MET HA H 60 4.098 4.098 4.063 0.035 17588 2085 1 4 . 1 1 60 60 MET C C 60 178.085 178.085 178.021 0.064 17588 2086 1 4 . 1 1 60 60 MET CA C 60 58.060 58.060 58.038 0.022 17588 2087 1 4 . 1 1 60 60 MET CB C 60 32.178 32.178 31.912 0.266 17588 2088 1 4 . 1 1 60 60 MET H H 60 7.718 7.718 7.868 -0.150 17588 2089 1 4 . 1 1 61 61 ALA N N 61 118.874 118.874 121.549 -2.675 17588 2090 1 4 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.242 0.032 17588 2091 1 4 . 1 1 61 61 ALA C C 61 177.758 177.758 178.332 -0.574 17588 2092 1 4 . 1 1 61 61 ALA CA C 61 53.442 53.442 53.217 0.225 17588 2093 1 4 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.724 -0.656 17588 2094 1 4 . 1 1 61 61 ALA H H 61 7.513 7.513 7.681 -0.168 17588 2095 1 4 . 1 1 62 62 ASP N N 62 115.735 115.735 117.987 -2.252 17588 2096 1 4 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.055 -0.122 17588 2097 1 4 . 1 1 62 62 ASP C C 62 172.960 172.960 174.852 -1.892 17588 2098 1 4 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.955 -0.830 17588 2099 1 4 . 1 1 62 62 ASP CB C 62 41.384 41.384 42.385 -1.001 17588 2100 1 4 . 1 1 62 62 ASP H H 62 7.615 7.615 8.106 -0.491 17588 2101 1 4 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.322 0.124 17588 2102 1 4 . 1 1 63 63 PRO C C 63 179.157 179.157 177.402 1.755 17588 2103 1 4 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.643 -0.244 17588 2104 1 4 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.575 -0.315 17588 2105 1 4 . 1 1 64 64 ASN N N 64 115.566 115.566 116.332 -0.766 17588 2106 1 4 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.361 0.191 17588 2107 1 4 . 1 1 64 64 ASN C C 64 176.867 176.867 177.595 -0.728 17588 2108 1 4 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.711 -0.390 17588 2109 1 4 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.203 0.698 17588 2110 1 4 . 1 1 64 64 ASN H H 64 8.094 8.094 8.530 -0.436 17588 2111 1 4 . 1 1 65 65 LYS N N 65 118.691 118.691 119.914 -1.223 17588 2112 1 4 . 1 1 65 65 LYS HA H 65 4.178 4.178 3.911 0.267 17588 2113 1 4 . 1 1 65 65 LYS C C 65 175.844 175.844 178.227 -2.383 17588 2114 1 4 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.898 -2.664 17588 2115 1 4 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.925 0.952 17588 2116 1 4 . 1 1 65 65 LYS H H 65 8.185 8.185 7.913 0.272 17588 2117 1 4 . 1 1 66 66 ALA N N 66 120.147 120.147 121.951 -1.804 17588 2118 1 4 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.355 -0.313 17588 2119 1 4 . 1 1 66 66 ALA C C 66 176.697 176.697 179.214 -2.517 17588 2120 1 4 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.028 0.784 17588 2121 1 4 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.619 0.615 17588 2122 1 4 . 1 1 66 66 ALA H H 66 7.233 7.233 7.563 -0.330 17588 2123 1 4 . 1 1 67 67 ASP N N 67 114.524 114.524 118.090 -3.566 17588 2124 1 4 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.405 -0.232 17588 2125 1 4 . 1 1 67 67 ASP C C 67 178.071 178.071 179.033 -0.962 17588 2126 1 4 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.483 0.885 17588 2127 1 4 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.095 0.549 17588 2128 1 4 . 1 1 67 67 ASP H H 67 8.114 8.114 8.172 -0.058 17588 2129 1 4 . 1 1 68 68 GLU N N 68 117.486 117.486 120.071 -2.585 17588 2130 1 4 . 1 1 68 68 GLU HA H 68 3.893 3.893 4.035 -0.142 17588 2131 1 4 . 1 1 68 68 GLU C C 68 178.885 178.885 178.446 0.439 17588 2132 1 4 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.787 -0.042 17588 2133 1 4 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.175 0.486 17588 2134 1 4 . 1 1 68 68 GLU H H 68 7.846 7.846 7.554 0.292 17588 2135 1 4 . 1 1 69 69 VAL N N 69 120.957 120.957 120.396 0.561 17588 2136 1 4 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.114 -0.068 17588 2137 1 4 . 1 1 69 69 VAL C C 69 176.618 176.618 177.918 -1.300 17588 2138 1 4 . 1 1 69 69 VAL CA C 69 66.453 66.453 65.756 0.697 17588 2139 1 4 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.372 0.667 17588 2140 1 4 . 1 1 69 69 VAL H H 69 7.325 7.325 8.097 -0.772 17588 2141 1 4 . 1 1 70 70 TYR N N 70 117.638 117.638 117.105 0.533 17588 2142 1 4 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.000 0.175 17588 2143 1 4 . 1 1 70 70 TYR C C 70 178.493 178.493 178.205 0.288 17588 2144 1 4 . 1 1 70 70 TYR CA C 70 57.481 57.481 61.140 -3.659 17588 2145 1 4 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.450 -2.587 17588 2146 1 4 . 1 1 70 70 TYR H H 70 8.483 8.483 8.009 0.474 17588 2147 1 4 . 1 1 71 71 LYS N N 71 117.283 117.283 118.888 -1.605 17588 2148 1 4 . 1 1 71 71 LYS HA H 71 4.214 4.214 3.991 0.223 17588 2149 1 4 . 1 1 71 71 LYS C C 71 178.790 178.790 179.229 -0.439 17588 2150 1 4 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.446 0.347 17588 2151 1 4 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.200 0.307 17588 2152 1 4 . 1 1 71 71 LYS H H 71 7.754 7.754 7.586 0.168 17588 2153 1 4 . 1 1 72 72 LYS N N 72 120.053 120.053 119.821 0.232 17588 2154 1 4 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.887 0.254 17588 2155 1 4 . 1 1 72 72 LYS C C 72 180.399 180.399 178.907 1.492 17588 2156 1 4 . 1 1 72 72 LYS CA C 72 59.728 59.728 60.057 -0.329 17588 2157 1 4 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.175 -0.161 17588 2158 1 4 . 1 1 72 72 LYS H H 72 7.386 7.386 7.798 -0.412 17588 2159 1 4 . 1 1 73 73 TRP N N 73 121.910 121.910 119.280 2.630 17588 2160 1 4 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.487 0.026 17588 2161 1 4 . 1 1 73 73 TRP C C 73 177.981 177.981 178.966 -0.985 17588 2162 1 4 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.141 -1.226 17588 2163 1 4 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.517 1.045 17588 2164 1 4 . 1 1 73 73 TRP H H 73 8.659 8.659 8.165 0.494 17588 2165 1 4 . 1 1 74 74 ALA N N 74 123.471 123.471 120.990 2.481 17588 2166 1 4 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.438 0.054 17588 2167 1 4 . 1 1 74 74 ALA C C 74 182.881 182.881 179.505 3.376 17588 2168 1 4 . 1 1 74 74 ALA CA C 74 55.349 55.349 54.767 0.582 17588 2169 1 4 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.685 -0.293 17588 2170 1 4 . 1 1 74 74 ALA H H 74 9.137 9.137 8.133 1.004 17588 2171 1 4 . 1 1 75 75 ASP N N 75 121.896 121.896 117.947 3.949 17588 2172 1 4 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.438 0.026 17588 2173 1 4 . 1 1 75 75 ASP C C 75 178.714 178.714 178.288 0.426 17588 2174 1 4 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.458 0.636 17588 2175 1 4 . 1 1 75 75 ASP CB C 75 40.585 40.585 41.074 -0.489 17588 2176 1 4 . 1 1 75 75 ASP H H 75 8.804 8.804 7.956 0.848 17588 2177 1 4 . 1 1 76 76 LYS N N 76 118.966 118.966 117.274 1.692 17588 2178 1 4 . 1 1 76 76 LYS HA H 76 4.029 4.029 3.932 0.097 17588 2179 1 4 . 1 1 76 76 LYS C C 76 176.868 176.868 177.373 -0.505 17588 2180 1 4 . 1 1 76 76 LYS CA C 76 56.497 56.497 57.357 -0.860 17588 2181 1 4 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.481 -0.796 17588 2182 1 4 . 1 1 76 76 LYS H H 76 7.630 7.630 8.108 -0.478 17588 2183 1 4 . 1 1 77 77 GLY N N 77 107.310 107.310 104.229 3.081 17588 2184 1 4 . 1 1 77 77 GLY C C 77 175.407 175.407 173.800 1.607 17588 2185 1 4 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.670 0.518 17588 2186 1 4 . 1 1 77 77 GLY H H 77 7.901 7.901 7.388 0.513 17588 2187 1 4 . 1 1 78 78 TYR N N 78 117.917 117.917 119.698 -1.781 17588 2188 1 4 . 1 1 78 78 TYR HA H 78 5.292 5.292 5.540 -0.248 17588 2189 1 4 . 1 1 78 78 TYR C C 78 178.422 178.422 175.708 2.714 17588 2190 1 4 . 1 1 78 78 TYR CA C 78 55.545 55.545 55.326 0.219 17588 2191 1 4 . 1 1 78 78 TYR CB C 78 36.781 36.781 41.396 -4.615 17588 2192 1 4 . 1 1 78 78 TYR H H 78 7.506 7.506 7.652 -0.146 17588 2193 1 4 . 1 1 79 79 THR N N 79 119.420 119.420 111.708 7.712 17588 2194 1 4 . 1 1 79 79 THR HA H 79 4.518 4.518 4.914 -0.396 17588 2195 1 4 . 1 1 79 79 THR C C 79 175.648 175.648 175.163 0.485 17588 2196 1 4 . 1 1 79 79 THR CA C 79 60.027 60.027 60.591 -0.564 17588 2197 1 4 . 1 1 79 79 THR CB C 79 71.622 71.622 70.488 1.134 17588 2198 1 4 . 1 1 79 79 THR H H 79 8.957 8.957 8.365 0.592 17588 2199 1 4 . 1 1 80 80 LEU N N 80 119.655 119.655 123.599 -3.944 17588 2200 1 4 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.208 -0.028 17588 2201 1 4 . 1 1 80 80 LEU C C 80 180.085 180.085 178.451 1.634 17588 2202 1 4 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.922 -0.009 17588 2203 1 4 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.835 -2.182 17588 2204 1 4 . 1 1 80 80 LEU H H 80 9.005 9.005 8.895 0.110 17588 2205 1 4 . 1 1 81 81 THR N N 81 115.259 115.259 112.883 2.376 17588 2206 1 4 . 1 1 81 81 THR HA H 81 3.939 3.939 3.939 0.000 17588 2207 1 4 . 1 1 81 81 THR C C 81 177.000 177.000 176.775 0.225 17588 2208 1 4 . 1 1 81 81 THR CA C 81 66.349 66.349 66.785 -0.436 17588 2209 1 4 . 1 1 81 81 THR CB C 81 68.591 68.591 68.724 -0.133 17588 2210 1 4 . 1 1 81 81 THR H H 81 8.135 8.135 8.124 0.011 17588 2211 1 4 . 1 1 82 82 GLN N N 82 121.304 121.304 119.713 1.591 17588 2212 1 4 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.705 -0.052 17588 2213 1 4 . 1 1 82 82 GLN C C 82 178.354 178.354 177.543 0.811 17588 2214 1 4 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.377 0.264 17588 2215 1 4 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.703 0.210 17588 2216 1 4 . 1 1 82 82 GLN H H 82 7.641 7.641 8.051 -0.410 17588 2217 1 4 . 1 1 83 83 MET N N 83 117.464 117.464 119.373 -1.909 17588 2218 1 4 . 1 1 83 83 MET HA H 83 4.425 4.425 3.861 0.564 17588 2219 1 4 . 1 1 83 83 MET C C 83 177.906 177.906 177.857 0.049 17588 2220 1 4 . 1 1 83 83 MET CA C 83 55.462 55.462 57.804 -2.342 17588 2221 1 4 . 1 1 83 83 MET CB C 83 29.014 29.014 32.242 -3.228 17588 2222 1 4 . 1 1 83 83 MET H H 83 8.665 8.665 8.397 0.268 17588 2223 1 4 . 1 1 84 84 SER N N 84 114.879 114.879 115.147 -0.268 17588 2224 1 4 . 1 1 84 84 SER HA H 84 3.689 3.689 3.708 -0.019 17588 2225 1 4 . 1 1 84 84 SER C C 84 176.666 176.666 176.309 0.357 17588 2226 1 4 . 1 1 84 84 SER CA C 84 61.347 61.347 61.122 0.225 17588 2227 1 4 . 1 1 84 84 SER CB C 84 62.356 62.356 62.378 -0.022 17588 2228 1 4 . 1 1 84 84 SER H H 84 8.607 8.607 7.974 0.633 17588 2229 1 4 . 1 1 85 85 ASN N N 85 117.904 117.904 119.489 -1.585 17588 2230 1 4 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.325 0.090 17588 2231 1 4 . 1 1 85 85 ASN C C 85 177.997 177.997 176.457 1.540 17588 2232 1 4 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.365 0.588 17588 2233 1 4 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.350 0.910 17588 2234 1 4 . 1 1 85 85 ASN H H 85 7.204 7.204 7.550 -0.346 17588 2235 1 4 . 1 1 86 86 PHE N N 86 118.316 118.316 117.253 1.063 17588 2236 1 4 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.369 0.059 17588 2237 1 4 . 1 1 86 86 PHE C C 86 177.478 177.478 176.573 0.905 17588 2238 1 4 . 1 1 86 86 PHE CA C 86 58.394 58.394 58.943 -0.549 17588 2239 1 4 . 1 1 86 86 PHE CB C 86 38.835 38.835 39.006 -0.171 17588 2240 1 4 . 1 1 86 86 PHE H H 86 8.367 8.367 7.433 0.934 17588 2241 1 4 . 1 1 87 87 LEU N N 87 112.533 112.533 117.044 -4.511 17588 2242 1 4 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.308 -0.208 17588 2243 1 4 . 1 1 87 87 LEU C C 87 176.474 176.474 176.464 0.010 17588 2244 1 4 . 1 1 87 87 LEU CA C 87 54.549 54.549 53.587 0.962 17588 2245 1 4 . 1 1 87 87 LEU CB C 87 41.371 41.371 39.623 1.748 17588 2246 1 4 . 1 1 87 87 LEU H H 87 7.778 7.778 8.010 -0.232 17588 2247 1 4 . 1 1 88 88 LYS N N 88 119.798 119.798 119.587 0.211 17588 2248 1 4 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.082 0.166 17588 2249 1 4 . 1 1 88 88 LYS C C 88 176.594 176.594 177.670 -1.076 17588 2250 1 4 . 1 1 88 88 LYS CA C 88 57.674 57.674 58.078 -0.404 17588 2251 1 4 . 1 1 88 88 LYS CB C 88 32.671 32.671 32.478 0.193 17588 2252 1 4 . 1 1 88 88 LYS H H 88 7.328 7.328 7.671 -0.343 17588 2253 1 4 . 1 1 89 89 SER N N 89 117.937 117.937 114.962 2.975 17588 2254 1 4 . 1 1 89 89 SER HA H 89 4.785 4.785 4.061 0.724 17588 2255 1 4 . 1 1 89 89 SER CA C 89 57.375 57.375 59.290 -1.915 17588 2256 1 4 . 1 1 89 89 SER CB C 89 64.838 64.838 62.395 2.443 17588 2257 1 4 . 1 1 89 89 SER H H 89 8.197 8.197 8.460 -0.263 17588 2258 1 4 . 1 1 90 90 LYS HA H 90 4.154 4.154 4.000 0.154 17588 2259 1 4 . 1 1 90 90 LYS C C 90 177.472 177.472 176.248 1.224 17588 2260 1 4 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.723 0.671 17588 2261 1 4 . 1 1 90 90 LYS CB C 90 31.767 31.767 30.797 0.970 17588 2262 1 4 . 1 1 90 90 LYS H H 90 7.981 7.981 8.465 -0.484 17588 2263 1 4 . 1 1 91 91 THR N N 91 113.435 113.435 113.026 0.409 17588 2264 1 4 . 1 1 91 91 THR HA H 91 4.342 4.342 4.419 -0.077 17588 2265 1 4 . 1 1 91 91 THR C C 91 174.236 174.236 174.093 0.143 17588 2266 1 4 . 1 1 91 91 THR CA C 91 61.203 61.203 61.394 -0.191 17588 2267 1 4 . 1 1 91 91 THR CB C 91 69.254 69.254 69.174 0.080 17588 2268 1 4 . 1 1 91 91 THR H H 91 7.942 7.942 8.300 -0.358 17588 2269 1 4 . 1 1 92 92 ALA N N 92 129.685 129.685 123.613 6.072 17588 2270 1 4 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.060 0.118 17588 2271 1 4 . 1 1 92 92 ALA C C 92 178.710 178.710 177.502 1.208 17588 2272 1 4 . 1 1 92 92 ALA CA C 92 53.583 53.583 52.882 0.701 17588 2273 1 4 . 1 1 92 92 ALA CB C 92 18.081 18.081 17.442 0.639 17588 2274 1 4 . 1 1 92 92 ALA H H 92 8.603 8.603 8.336 0.267 17588 2275 1 4 . 1 1 93 93 GLY N N 93 109.919 109.919 104.077 5.842 17588 2276 1 4 . 1 1 93 93 GLY C C 93 176.310 176.310 174.084 2.226 17588 2277 1 4 . 1 1 93 93 GLY CA C 93 45.505 45.505 44.580 0.925 17588 2278 1 4 . 1 1 93 93 GLY H H 93 8.823 8.823 7.741 1.082 17588 2279 1 4 . 1 1 94 94 LYS N N 94 120.949 120.949 122.659 -1.710 17588 2280 1 4 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.160 -0.368 17588 2281 1 4 . 1 1 94 94 LYS C C 94 177.630 177.630 177.191 0.439 17588 2282 1 4 . 1 1 94 94 LYS CA C 94 59.606 59.606 57.662 1.944 17588 2283 1 4 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.081 0.165 17588 2284 1 4 . 1 1 94 94 LYS H H 94 7.501 7.501 8.141 -0.640 17588 2285 1 4 . 1 1 95 95 TYR N N 95 113.034 113.034 118.758 -5.724 17588 2286 1 4 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.755 0.292 17588 2287 1 4 . 1 1 95 95 TYR C C 95 176.649 176.649 175.133 1.516 17588 2288 1 4 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.716 0.220 17588 2289 1 4 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.107 1.893 17588 2290 1 4 . 1 1 95 95 TYR H H 95 8.670 8.670 7.913 0.757 17588 2291 1 4 . 1 1 96 96 ASP N N 96 123.097 123.097 124.083 -0.986 17588 2292 1 4 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.551 -0.222 17588 2293 1 4 . 1 1 96 96 ASP C C 96 178.087 178.087 177.781 0.306 17588 2294 1 4 . 1 1 96 96 ASP CA C 96 58.619 58.619 56.865 1.754 17588 2295 1 4 . 1 1 96 96 ASP CB C 96 39.570 39.570 41.333 -1.763 17588 2296 1 4 . 1 1 96 96 ASP H H 96 7.756 7.756 8.190 -0.434 17588 2297 1 4 . 1 1 97 97 ARG N N 97 118.384 118.384 120.114 -1.730 17588 2298 1 4 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.159 0.103 17588 2299 1 4 . 1 1 97 97 ARG C C 97 179.927 179.927 178.496 1.431 17588 2300 1 4 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.388 0.358 17588 2301 1 4 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.999 -0.205 17588 2302 1 4 . 1 1 97 97 ARG H H 97 8.897 8.897 8.504 0.393 17588 2303 1 4 . 1 1 98 98 VAL N N 98 119.642 119.642 118.269 1.373 17588 2304 1 4 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.050 -0.112 17588 2305 1 4 . 1 1 98 98 VAL C C 98 179.630 179.630 178.425 1.205 17588 2306 1 4 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.581 0.223 17588 2307 1 4 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.676 0.378 17588 2308 1 4 . 1 1 98 98 VAL H H 98 7.578 7.578 8.207 -0.629 17588 2309 1 4 . 1 1 99 99 TYR N N 99 122.432 122.432 120.788 1.644 17588 2310 1 4 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.138 -0.204 17588 2311 1 4 . 1 1 99 99 TYR C C 99 176.400 176.400 177.514 -1.114 17588 2312 1 4 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.789 1.117 17588 2313 1 4 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.356 -0.034 17588 2314 1 4 . 1 1 99 99 TYR H H 99 8.635 8.635 8.293 0.342 17588 2315 1 4 . 1 1 100 100 ASN N N 100 117.211 117.211 118.097 -0.886 17588 2316 1 4 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.182 0.104 17588 2317 1 4 . 1 1 100 100 ASN C C 100 178.488 178.488 177.888 0.600 17588 2318 1 4 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.744 -0.888 17588 2319 1 4 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.805 0.044 17588 2320 1 4 . 1 1 100 100 ASN H H 100 9.024 9.024 8.650 0.374 17588 2321 1 4 . 1 1 101 101 GLY N N 101 105.413 105.413 107.937 -2.524 17588 2322 1 4 . 1 1 101 101 GLY C C 101 175.833 175.833 175.604 0.229 17588 2323 1 4 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.000 0.032 17588 2324 1 4 . 1 1 101 101 GLY H H 101 7.908 7.908 7.694 0.214 17588 2325 1 4 . 1 1 102 102 TYR N N 102 126.373 126.373 123.526 2.847 17588 2326 1 4 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.995 -0.528 17588 2327 1 4 . 1 1 102 102 TYR C C 102 176.016 176.016 177.933 -1.917 17588 2328 1 4 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.788 -1.235 17588 2329 1 4 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.388 -0.498 17588 2330 1 4 . 1 1 102 102 TYR H H 102 7.581 7.581 7.485 0.096 17588 2331 1 4 . 1 1 103 103 VAL N N 103 117.870 117.870 116.780 1.090 17588 2332 1 4 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.322 -0.180 17588 2333 1 4 . 1 1 103 103 VAL C C 103 178.786 178.786 178.179 0.607 17588 2334 1 4 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.916 -0.339 17588 2335 1 4 . 1 1 103 103 VAL CB C 103 31.747 31.747 31.054 0.693 17588 2336 1 4 . 1 1 103 103 VAL H H 103 7.510 7.510 7.625 -0.115 17588 2337 1 4 . 1 1 104 104 ILE N N 104 116.770 116.770 118.398 -1.628 17588 2338 1 4 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.589 0.103 17588 2339 1 4 . 1 1 104 104 ILE C C 104 178.703 178.703 178.385 0.318 17588 2340 1 4 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.338 -0.501 17588 2341 1 4 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.742 0.189 17588 2342 1 4 . 1 1 104 104 ILE H H 104 7.056 7.056 7.445 -0.389 17588 2343 1 4 . 1 1 105 105 HIS N N 105 121.324 121.324 119.790 1.534 17588 2344 1 4 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.087 -0.135 17588 2345 1 4 . 1 1 105 105 HIS C C 105 176.974 176.974 177.785 -0.811 17588 2346 1 4 . 1 1 105 105 HIS CA C 105 60.150 60.150 60.018 0.132 17588 2347 1 4 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.612 0.912 17588 2348 1 4 . 1 1 105 105 HIS H H 105 7.864 7.864 8.077 -0.213 17588 2349 1 4 . 1 1 106 106 LEU N N 106 115.126 115.126 119.253 -4.127 17588 2350 1 4 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.129 -0.294 17588 2351 1 4 . 1 1 106 106 LEU C C 106 177.315 177.315 178.340 -1.025 17588 2352 1 4 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.630 -1.923 17588 2353 1 4 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.508 0.533 17588 2354 1 4 . 1 1 106 106 LEU H H 106 7.517 7.517 7.981 -0.464 17588 2355 1 4 . 1 1 107 107 ASP N N 107 119.221 119.221 119.107 0.114 17588 2356 1 4 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.310 0.191 17588 2357 1 4 . 1 1 107 107 ASP C C 107 175.224 175.224 176.845 -1.621 17588 2358 1 4 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.649 -1.031 17588 2359 1 4 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.967 -0.202 17588 2360 1 4 . 1 1 107 107 ASP H H 107 7.512 7.512 7.786 -0.274 17588 2361 1 5 . 1 1 6 6 SER HA H 6 4.480 4.480 4.958 -0.478 17588 2362 1 5 . 1 1 6 6 SER C C 6 174.995 174.995 173.285 1.710 17588 2363 1 5 . 1 1 6 6 SER CA C 6 58.675 58.675 58.185 0.490 17588 2364 1 5 . 1 1 6 6 SER CB C 6 63.822 63.822 63.758 0.064 17588 2365 1 5 . 1 1 7 7 GLY N N 7 110.458 110.458 111.149 -0.691 17588 2366 1 5 . 1 1 7 7 GLY C C 7 173.853 173.853 172.476 1.377 17588 2367 1 5 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.109 0.238 17588 2368 1 5 . 1 1 7 7 GLY H H 7 8.394 8.394 8.448 -0.054 17588 2369 1 5 . 1 1 8 8 ASN N N 8 119.020 119.020 118.892 0.128 17588 2370 1 5 . 1 1 8 8 ASN HA H 8 4.757 4.757 5.026 -0.269 17588 2371 1 5 . 1 1 8 8 ASN C C 8 175.389 175.389 173.805 1.584 17588 2372 1 5 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.745 0.486 17588 2373 1 5 . 1 1 8 8 ASN CB C 8 38.959 38.959 40.913 -1.954 17588 2374 1 5 . 1 1 8 8 ASN H H 8 8.308 8.308 8.424 -0.116 17588 2375 1 5 . 1 1 9 9 VAL N N 9 120.281 120.281 120.982 -0.701 17588 2376 1 5 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.355 -0.240 17588 2377 1 5 . 1 1 9 9 VAL C C 9 175.980 175.980 174.873 1.107 17588 2378 1 5 . 1 1 9 9 VAL CA C 9 62.468 62.468 61.517 0.951 17588 2379 1 5 . 1 1 9 9 VAL CB C 9 32.712 32.712 33.999 -1.287 17588 2380 1 5 . 1 1 9 9 VAL H H 9 8.173 8.173 8.582 -0.409 17588 2381 1 5 . 1 1 10 10 ASP N N 10 123.840 123.840 124.585 -0.745 17588 2382 1 5 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.915 -0.291 17588 2383 1 5 . 1 1 10 10 ASP C C 10 176.599 176.599 175.211 1.388 17588 2384 1 5 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.401 0.989 17588 2385 1 5 . 1 1 10 10 ASP CB C 10 41.343 41.343 42.265 -0.922 17588 2386 1 5 . 1 1 10 10 ASP H H 10 8.418 8.418 8.269 0.149 17588 2387 1 5 . 1 1 11 11 SER N N 11 117.003 117.003 114.266 2.737 17588 2388 1 5 . 1 1 11 11 SER HA H 11 4.395 4.395 4.863 -0.468 17588 2389 1 5 . 1 1 11 11 SER C C 11 174.834 174.834 173.003 1.831 17588 2390 1 5 . 1 1 11 11 SER CA C 11 58.886 58.886 57.778 1.108 17588 2391 1 5 . 1 1 11 11 SER CB C 11 63.740 63.740 65.208 -1.468 17588 2392 1 5 . 1 1 11 11 SER H H 11 8.312 8.312 8.621 -0.309 17588 2393 1 5 . 1 1 12 12 ASN N N 12 120.512 120.512 118.648 1.864 17588 2394 1 5 . 1 1 12 12 ASN HA H 12 4.685 4.685 5.208 -0.523 17588 2395 1 5 . 1 1 12 12 ASN C C 12 175.646 175.646 173.208 2.438 17588 2396 1 5 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.429 1.364 17588 2397 1 5 . 1 1 12 12 ASN CB C 12 38.630 38.630 40.222 -1.592 17588 2398 1 5 . 1 1 12 12 ASN H H 12 8.511 8.511 8.730 -0.219 17588 2399 1 5 . 1 1 13 13 GLN N N 13 120.057 120.057 118.874 1.183 17588 2400 1 5 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.794 -0.556 17588 2401 1 5 . 1 1 13 13 GLN C C 13 175.988 175.988 173.696 2.292 17588 2402 1 5 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.001 1.446 17588 2403 1 5 . 1 1 13 13 GLN CB C 13 29.137 29.137 31.373 -2.236 17588 2404 1 5 . 1 1 13 13 GLN H H 13 8.258 8.258 9.090 -0.832 17588 2405 1 5 . 1 1 14 14 ASN N N 14 119.323 119.323 118.687 0.636 17588 2406 1 5 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.940 -0.255 17588 2407 1 5 . 1 1 14 14 ASN C C 14 175.552 175.552 173.800 1.752 17588 2408 1 5 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.418 1.147 17588 2409 1 5 . 1 1 14 14 ASN CB C 14 38.763 38.763 40.306 -1.543 17588 2410 1 5 . 1 1 14 14 ASN H H 14 8.377 8.377 8.486 -0.109 17588 2411 1 5 . 1 1 15 15 LYS N N 15 121.938 121.938 120.505 1.433 17588 2412 1 5 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.565 -0.351 17588 2413 1 5 . 1 1 15 15 LYS C C 15 176.933 176.933 175.513 1.420 17588 2414 1 5 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.891 1.344 17588 2415 1 5 . 1 1 15 15 LYS CB C 15 32.753 32.753 32.098 0.655 17588 2416 1 5 . 1 1 15 15 LYS H H 15 8.224 8.224 8.686 -0.462 17588 2417 1 5 . 1 1 16 16 ALA N N 16 123.956 123.956 127.371 -3.415 17588 2418 1 5 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.387 -0.113 17588 2419 1 5 . 1 1 16 16 ALA C C 16 178.593 178.593 177.036 1.557 17588 2420 1 5 . 1 1 16 16 ALA CA C 16 53.442 53.442 52.665 0.777 17588 2421 1 5 . 1 1 16 16 ALA CB C 16 18.863 18.863 19.315 -0.452 17588 2422 1 5 . 1 1 16 16 ALA H H 16 8.292 8.292 8.566 -0.274 17588 2423 1 5 . 1 1 17 17 SER N N 17 114.462 114.462 112.603 1.859 17588 2424 1 5 . 1 1 17 17 SER HA H 17 4.365 4.365 4.153 0.212 17588 2425 1 5 . 1 1 17 17 SER C C 17 175.370 175.370 174.595 0.775 17588 2426 1 5 . 1 1 17 17 SER CA C 17 59.077 59.077 58.728 0.349 17588 2427 1 5 . 1 1 17 17 SER CB C 17 63.383 63.383 62.059 1.324 17588 2428 1 5 . 1 1 17 17 SER H H 17 8.200 8.200 8.245 -0.045 17588 2429 1 5 . 1 1 18 18 MET N N 18 121.999 121.999 117.777 4.222 17588 2430 1 5 . 1 1 18 18 MET HA H 18 4.429 4.429 4.556 -0.127 17588 2431 1 5 . 1 1 18 18 MET C C 18 176.829 176.829 175.381 1.448 17588 2432 1 5 . 1 1 18 18 MET CA C 18 56.357 56.357 56.047 0.310 17588 2433 1 5 . 1 1 18 18 MET CB C 18 32.630 32.630 33.567 -0.937 17588 2434 1 5 . 1 1 18 18 MET H H 18 8.214 8.214 7.615 0.599 17588 2435 1 5 . 1 1 19 19 LEU N N 19 122.083 122.083 120.152 1.931 17588 2436 1 5 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.873 -0.617 17588 2437 1 5 . 1 1 19 19 LEU C C 19 177.774 177.774 174.696 3.078 17588 2438 1 5 . 1 1 19 19 LEU CA C 19 56.111 56.111 54.174 1.937 17588 2439 1 5 . 1 1 19 19 LEU CB C 19 42.041 42.041 44.022 -1.981 17588 2440 1 5 . 1 1 19 19 LEU H H 19 8.076 8.076 8.203 -0.127 17588 2441 1 5 . 1 1 20 20 GLN N N 20 120.123 120.123 122.434 -2.311 17588 2442 1 5 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.507 -0.300 17588 2443 1 5 . 1 1 20 20 GLN C C 20 176.166 176.166 173.830 2.336 17588 2444 1 5 . 1 1 20 20 GLN CA C 20 56.409 56.409 55.274 1.135 17588 2445 1 5 . 1 1 20 20 GLN CB C 20 29.196 29.196 30.701 -1.505 17588 2446 1 5 . 1 1 20 20 GLN H H 20 8.174 8.174 8.623 -0.449 17588 2447 1 5 . 1 1 21 21 ALA N N 21 124.216 124.216 126.030 -1.814 17588 2448 1 5 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.725 -0.471 17588 2449 1 5 . 1 1 21 21 ALA C C 21 178.034 178.034 177.182 0.852 17588 2450 1 5 . 1 1 21 21 ALA CA C 21 53.126 53.126 52.292 0.834 17588 2451 1 5 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.161 -1.090 17588 2452 1 5 . 1 1 21 21 ALA H H 21 8.151 8.151 8.583 -0.432 17588 2453 1 5 . 1 1 22 22 ARG N N 22 119.591 119.591 121.302 -1.711 17588 2454 1 5 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.574 -0.266 17588 2455 1 5 . 1 1 22 22 ARG C C 22 176.750 176.750 174.745 2.005 17588 2456 1 5 . 1 1 22 22 ARG CA C 22 56.427 56.427 56.104 0.323 17588 2457 1 5 . 1 1 22 22 ARG CB C 22 30.616 30.616 30.673 -0.057 17588 2458 1 5 . 1 1 22 22 ARG H H 22 8.147 8.147 8.915 -0.768 17588 2459 1 5 . 1 1 23 23 LEU N N 23 122.553 122.553 117.849 4.704 17588 2460 1 5 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.626 -0.352 17588 2461 1 5 . 1 1 23 23 LEU C C 23 177.547 177.547 174.898 2.649 17588 2462 1 5 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.130 1.560 17588 2463 1 5 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.663 -1.581 17588 2464 1 5 . 1 1 23 23 LEU H H 23 8.220 8.220 7.670 0.550 17588 2465 1 5 . 1 1 24 24 ASN N N 24 118.666 118.666 120.819 -2.153 17588 2466 1 5 . 1 1 24 24 ASN HA H 24 4.673 4.673 5.069 -0.396 17588 2467 1 5 . 1 1 24 24 ASN C C 24 175.246 175.246 174.231 1.015 17588 2468 1 5 . 1 1 24 24 ASN CA C 24 53.565 53.565 53.251 0.314 17588 2469 1 5 . 1 1 24 24 ASN CB C 24 38.836 38.836 39.406 -0.570 17588 2470 1 5 . 1 1 24 24 ASN H H 24 8.351 8.351 8.477 -0.126 17588 2471 1 5 . 1 1 25 25 ASP N N 25 120.897 120.897 123.307 -2.410 17588 2472 1 5 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.762 -0.186 17588 2473 1 5 . 1 1 25 25 ASP C C 25 176.732 176.732 176.920 -0.188 17588 2474 1 5 . 1 1 25 25 ASP CA C 25 54.706 54.706 55.057 -0.351 17588 2475 1 5 . 1 1 25 25 ASP CB C 25 41.219 41.219 41.599 -0.380 17588 2476 1 5 . 1 1 25 25 ASP H H 25 8.234 8.234 8.771 -0.537 17588 2477 1 5 . 1 1 26 26 GLU N N 26 121.168 121.168 120.297 0.871 17588 2478 1 5 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.279 -0.065 17588 2479 1 5 . 1 1 26 26 GLU C C 26 176.857 176.857 175.896 0.961 17588 2480 1 5 . 1 1 26 26 GLU CA C 26 57.247 57.247 56.627 0.620 17588 2481 1 5 . 1 1 26 26 GLU CB C 26 29.959 29.959 29.860 0.099 17588 2482 1 5 . 1 1 26 26 GLU H H 26 8.368 8.368 8.612 -0.244 17588 2483 1 5 . 1 1 27 27 ALA N N 27 124.100 124.100 121.711 2.389 17588 2484 1 5 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.174 0.143 17588 2485 1 5 . 1 1 27 27 ALA C C 27 178.520 178.520 177.588 0.932 17588 2486 1 5 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.858 0.128 17588 2487 1 5 . 1 1 27 27 ALA CB C 27 18.945 18.945 17.376 1.569 17588 2488 1 5 . 1 1 27 27 ALA H H 27 8.289 8.289 7.973 0.316 17588 2489 1 5 . 1 1 28 28 GLY N N 28 107.844 107.844 106.478 1.366 17588 2490 1 5 . 1 1 28 28 GLY C C 28 175.019 175.019 174.909 0.110 17588 2491 1 5 . 1 1 28 28 GLY CA C 28 45.628 45.628 44.778 0.850 17588 2492 1 5 . 1 1 28 28 GLY H H 28 8.315 8.315 8.431 -0.116 17588 2493 1 5 . 1 1 29 29 GLY N N 29 108.754 108.754 108.877 -0.123 17588 2494 1 5 . 1 1 29 29 GLY C C 29 174.659 174.659 174.362 0.297 17588 2495 1 5 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.367 0.119 17588 2496 1 5 . 1 1 29 29 GLY H H 29 8.266 8.266 8.335 -0.069 17588 2497 1 5 . 1 1 30 30 THR N N 30 114.068 114.068 113.976 0.092 17588 2498 1 5 . 1 1 30 30 THR HA H 30 4.301 4.301 4.316 -0.015 17588 2499 1 5 . 1 1 30 30 THR C C 30 174.789 174.789 173.428 1.361 17588 2500 1 5 . 1 1 30 30 THR CA C 30 62.327 62.327 62.080 0.247 17588 2501 1 5 . 1 1 30 30 THR CB C 30 69.553 69.553 69.823 -0.271 17588 2502 1 5 . 1 1 30 30 THR H H 30 8.111 8.111 7.851 0.260 17588 2503 1 5 . 1 1 31 31 ARG N N 31 123.536 123.536 127.261 -3.725 17588 2504 1 5 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.681 -0.382 17588 2505 1 5 . 1 1 31 31 ARG C C 31 176.125 176.125 175.392 0.733 17588 2506 1 5 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.632 0.831 17588 2507 1 5 . 1 1 31 31 ARG CB C 31 30.657 30.657 30.668 -0.011 17588 2508 1 5 . 1 1 31 31 ARG H H 31 8.343 8.343 8.577 -0.234 17588 2509 1 5 . 1 1 32 32 LEU N N 32 122.865 122.865 125.336 -2.471 17588 2510 1 5 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.476 -0.157 17588 2511 1 5 . 1 1 32 32 LEU C C 32 177.036 177.036 176.246 0.790 17588 2512 1 5 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.202 1.031 17588 2513 1 5 . 1 1 32 32 LEU CB C 32 42.264 42.264 42.536 -0.272 17588 2514 1 5 . 1 1 32 32 LEU H H 32 8.203 8.203 8.559 -0.356 17588 2515 1 5 . 1 1 33 33 LEU N N 33 123.054 123.054 127.714 -4.660 17588 2516 1 5 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.635 -0.299 17588 2517 1 5 . 1 1 33 33 LEU C C 33 177.022 177.022 175.843 1.179 17588 2518 1 5 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.339 0.730 17588 2519 1 5 . 1 1 33 33 LEU CB C 33 42.288 42.288 43.236 -0.948 17588 2520 1 5 . 1 1 33 33 LEU H H 33 8.150 8.150 8.445 -0.295 17588 2521 1 5 . 1 1 34 34 ARG N N 34 122.226 122.226 127.127 -4.901 17588 2522 1 5 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.361 -0.024 17588 2523 1 5 . 1 1 34 34 ARG C C 34 175.950 175.950 176.703 -0.753 17588 2524 1 5 . 1 1 34 34 ARG CA C 34 55.918 55.918 56.495 -0.577 17588 2525 1 5 . 1 1 34 34 ARG CB C 34 30.781 30.781 30.088 0.693 17588 2526 1 5 . 1 1 34 34 ARG H H 34 8.248 8.248 8.647 -0.399 17588 2527 1 5 . 1 1 35 35 VAL N N 35 121.294 121.294 121.761 -0.467 17588 2528 1 5 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.240 -0.199 17588 2529 1 5 . 1 1 35 35 VAL C C 35 175.709 175.709 175.288 0.421 17588 2530 1 5 . 1 1 35 35 VAL CA C 35 62.240 62.240 62.400 -0.160 17588 2531 1 5 . 1 1 35 35 VAL CB C 35 32.753 32.753 31.525 1.228 17588 2532 1 5 . 1 1 35 35 VAL H H 35 8.107 8.107 8.410 -0.303 17588 2533 1 5 . 1 1 36 36 HIS N N 36 123.522 123.522 119.971 3.551 17588 2534 1 5 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.423 0.175 17588 2535 1 5 . 1 1 36 36 HIS C C 36 174.825 174.825 174.413 0.412 17588 2536 1 5 . 1 1 36 36 HIS CA C 36 56.111 56.111 55.532 0.579 17588 2537 1 5 . 1 1 36 36 HIS CB C 36 30.944 30.944 31.674 -0.730 17588 2538 1 5 . 1 1 36 36 HIS H H 36 8.410 8.410 8.008 0.402 17588 2539 1 5 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.809 -0.209 17588 2540 1 5 . 1 1 37 37 HIS C C 37 175.173 175.173 174.255 0.918 17588 2541 1 5 . 1 1 37 37 HIS CA C 37 56.217 56.217 55.700 0.517 17588 2542 1 5 . 1 1 37 37 HIS CB C 37 31.027 31.027 28.240 2.787 17588 2543 1 5 . 1 1 38 38 GLU N N 38 122.826 122.826 120.572 2.254 17588 2544 1 5 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.595 -0.340 17588 2545 1 5 . 1 1 38 38 GLU C C 38 176.483 176.483 175.233 1.250 17588 2546 1 5 . 1 1 38 38 GLU CA C 38 56.919 56.919 55.022 1.897 17588 2547 1 5 . 1 1 38 38 GLU CB C 38 30.328 30.328 31.027 -0.699 17588 2548 1 5 . 1 1 38 38 GLU H H 38 8.569 8.569 7.885 0.684 17588 2549 1 5 . 1 1 39 39 SER N N 39 116.398 116.398 115.015 1.383 17588 2550 1 5 . 1 1 39 39 SER HA H 39 4.454 4.454 4.469 -0.015 17588 2551 1 5 . 1 1 39 39 SER C C 39 174.497 174.497 174.324 0.173 17588 2552 1 5 . 1 1 39 39 SER CA C 39 58.552 58.552 57.700 0.852 17588 2553 1 5 . 1 1 39 39 SER CB C 39 64.028 64.028 63.647 0.381 17588 2554 1 5 . 1 1 39 39 SER H H 39 8.444 8.444 8.421 0.023 17588 2555 1 5 . 1 1 40 40 ASP N N 40 122.831 122.831 120.322 2.509 17588 2556 1 5 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.725 -0.053 17588 2557 1 5 . 1 1 40 40 ASP C C 40 176.783 176.783 176.143 0.640 17588 2558 1 5 . 1 1 40 40 ASP CA C 40 54.759 54.759 53.686 1.073 17588 2559 1 5 . 1 1 40 40 ASP CB C 40 41.014 41.014 41.605 -0.591 17588 2560 1 5 . 1 1 40 40 ASP H H 40 8.469 8.469 8.347 0.122 17588 2561 1 5 . 1 1 41 41 THR N N 41 113.679 113.679 114.603 -0.924 17588 2562 1 5 . 1 1 41 41 THR HA H 41 4.181 4.181 4.841 -0.660 17588 2563 1 5 . 1 1 41 41 THR C C 41 175.314 175.314 173.452 1.862 17588 2564 1 5 . 1 1 41 41 THR CA C 41 62.819 62.819 62.296 0.523 17588 2565 1 5 . 1 1 41 41 THR CB C 41 69.576 69.576 68.973 0.603 17588 2566 1 5 . 1 1 41 41 THR H H 41 8.066 8.066 8.202 -0.136 17588 2567 1 5 . 1 1 42 42 GLU N N 42 122.776 122.776 122.466 0.310 17588 2568 1 5 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.324 -0.116 17588 2569 1 5 . 1 1 42 42 GLU C C 42 177.129 177.129 177.134 -0.005 17588 2570 1 5 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.145 1.177 17588 2571 1 5 . 1 1 42 42 GLU CB C 42 30.000 30.000 29.336 0.664 17588 2572 1 5 . 1 1 42 42 GLU H H 42 8.343 8.343 8.362 -0.019 17588 2573 1 5 . 1 1 43 43 GLU N N 43 121.898 121.898 120.024 1.874 17588 2574 1 5 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.363 -0.152 17588 2575 1 5 . 1 1 43 43 GLU C C 43 177.313 177.313 178.830 -1.517 17588 2576 1 5 . 1 1 43 43 GLU CA C 43 57.453 57.453 59.881 -2.428 17588 2577 1 5 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.313 0.646 17588 2578 1 5 . 1 1 43 43 GLU H H 43 8.397 8.397 8.840 -0.443 17588 2579 1 5 . 1 1 44 44 ARG N N 44 121.336 121.336 117.860 3.476 17588 2580 1 5 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.143 0.083 17588 2581 1 5 . 1 1 44 44 ARG C C 44 178.048 178.048 177.734 0.314 17588 2582 1 5 . 1 1 44 44 ARG CA C 44 57.779 57.779 58.779 -1.000 17588 2583 1 5 . 1 1 44 44 ARG CB C 44 30.366 30.366 30.173 0.193 17588 2584 1 5 . 1 1 44 44 ARG H H 44 8.401 8.401 8.045 0.356 17588 2585 1 5 . 1 1 45 45 GLY N N 45 109.098 109.098 103.889 5.209 17588 2586 1 5 . 1 1 45 45 GLY C C 45 175.522 175.522 175.238 0.284 17588 2587 1 5 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.282 1.119 17588 2588 1 5 . 1 1 45 45 GLY H H 45 8.536 8.536 7.586 0.950 17588 2589 1 5 . 1 1 46 46 PHE N N 46 121.592 121.592 124.338 -2.746 17588 2590 1 5 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.128 0.289 17588 2591 1 5 . 1 1 46 46 PHE C C 46 177.561 177.561 176.669 0.892 17588 2592 1 5 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.443 -1.363 17588 2593 1 5 . 1 1 46 46 PHE CB C 46 38.911 38.911 38.961 -0.050 17588 2594 1 5 . 1 1 46 46 PHE H H 46 8.071 8.071 8.436 -0.365 17588 2595 1 5 . 1 1 47 47 LEU N N 47 121.344 121.344 118.757 2.587 17588 2596 1 5 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.267 0.775 17588 2597 1 5 . 1 1 47 47 LEU C C 47 179.621 179.621 178.655 0.966 17588 2598 1 5 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.596 -0.136 17588 2599 1 5 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.468 0.169 17588 2600 1 5 . 1 1 47 47 LEU H H 47 8.215 8.215 7.616 0.599 17588 2601 1 5 . 1 1 48 48 GLU N N 48 121.986 121.986 118.857 3.129 17588 2602 1 5 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.634 0.354 17588 2603 1 5 . 1 1 48 48 GLU C C 48 177.573 177.573 178.580 -1.007 17588 2604 1 5 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.135 0.172 17588 2605 1 5 . 1 1 48 48 GLU CB C 48 29.648 29.648 28.578 1.070 17588 2606 1 5 . 1 1 48 48 GLU H H 48 8.225 8.225 7.759 0.466 17588 2607 1 5 . 1 1 49 49 LYS N N 49 118.759 118.759 118.961 -0.202 17588 2608 1 5 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.794 -0.551 17588 2609 1 5 . 1 1 49 49 LYS C C 49 177.659 177.659 178.635 -0.976 17588 2610 1 5 . 1 1 49 49 LYS CA C 49 59.886 59.886 60.137 -0.251 17588 2611 1 5 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.361 -0.060 17588 2612 1 5 . 1 1 49 49 LYS H H 49 7.790 7.790 8.303 -0.513 17588 2613 1 5 . 1 1 50 50 ALA N N 50 120.023 120.023 120.566 -0.543 17588 2614 1 5 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.811 0.148 17588 2615 1 5 . 1 1 50 50 ALA C C 50 180.486 180.486 178.814 1.672 17588 2616 1 5 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.939 -0.057 17588 2617 1 5 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.895 -0.018 17588 2618 1 5 . 1 1 50 50 ALA H H 50 7.798 7.798 7.227 0.571 17588 2619 1 5 . 1 1 51 51 ALA N N 51 121.955 121.955 121.573 0.382 17588 2620 1 5 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.904 0.209 17588 2621 1 5 . 1 1 51 51 ALA C C 51 180.762 180.762 179.437 1.325 17588 2622 1 5 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.142 -0.031 17588 2623 1 5 . 1 1 51 51 ALA CB C 51 18.041 18.041 17.964 0.077 17588 2624 1 5 . 1 1 51 51 ALA H H 51 7.809 7.809 7.648 0.161 17588 2625 1 5 . 1 1 52 52 VAL N N 52 120.415 120.415 118.444 1.971 17588 2626 1 5 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.595 0.055 17588 2627 1 5 . 1 1 52 52 VAL C C 52 178.567 178.567 178.486 0.081 17588 2628 1 5 . 1 1 52 52 VAL CA C 52 67.227 67.227 65.835 1.392 17588 2629 1 5 . 1 1 52 52 VAL CB C 52 31.110 31.110 29.916 1.194 17588 2630 1 5 . 1 1 52 52 VAL H H 52 7.944 7.944 7.761 0.183 17588 2631 1 5 . 1 1 53 53 LYS N N 53 119.231 119.231 119.221 0.010 17588 2632 1 5 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.721 -0.157 17588 2633 1 5 . 1 1 53 53 LYS C C 53 178.546 178.546 178.992 -0.446 17588 2634 1 5 . 1 1 53 53 LYS CA C 53 60.720 60.720 58.986 1.734 17588 2635 1 5 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.689 0.562 17588 2636 1 5 . 1 1 53 53 LYS H H 53 8.132 8.132 7.801 0.331 17588 2637 1 5 . 1 1 54 54 LYS N N 54 119.514 119.514 119.450 0.064 17588 2638 1 5 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.825 0.168 17588 2639 1 5 . 1 1 54 54 LYS C C 54 179.987 179.987 179.087 0.900 17588 2640 1 5 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.811 0.426 17588 2641 1 5 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.245 0.238 17588 2642 1 5 . 1 1 54 54 LYS H H 54 7.956 7.956 8.210 -0.254 17588 2643 1 5 . 1 1 55 55 MET N N 55 119.732 119.732 116.447 3.285 17588 2644 1 5 . 1 1 55 55 MET HA H 55 4.251 4.251 3.933 0.318 17588 2645 1 5 . 1 1 55 55 MET C C 55 177.536 177.536 178.362 -0.826 17588 2646 1 5 . 1 1 55 55 MET CA C 55 58.396 58.396 58.690 -0.294 17588 2647 1 5 . 1 1 55 55 MET CB C 55 34.228 34.228 31.368 2.860 17588 2648 1 5 . 1 1 55 55 MET H H 55 7.816 7.816 7.940 -0.124 17588 2649 1 5 . 1 1 56 56 ALA N N 56 122.295 122.295 122.142 0.153 17588 2650 1 5 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.007 0.145 17588 2651 1 5 . 1 1 56 56 ALA C C 56 179.615 179.615 179.635 -0.020 17588 2652 1 5 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.314 0.024 17588 2653 1 5 . 1 1 56 56 ALA CB C 56 19.106 19.106 17.966 1.140 17588 2654 1 5 . 1 1 56 56 ALA H H 56 8.724 8.724 7.760 0.964 17588 2655 1 5 . 1 1 57 57 LYS N N 57 117.704 117.704 119.050 -1.346 17588 2656 1 5 . 1 1 57 57 LYS HA H 57 4.084 4.084 3.944 0.140 17588 2657 1 5 . 1 1 57 57 LYS C C 57 179.358 179.358 178.915 0.443 17588 2658 1 5 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.546 0.428 17588 2659 1 5 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.307 0.194 17588 2660 1 5 . 1 1 57 57 LYS H H 57 8.444 8.444 7.897 0.547 17588 2661 1 5 . 1 1 58 58 ALA N N 58 122.736 122.736 121.187 1.549 17588 2662 1 5 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.018 0.153 17588 2663 1 5 . 1 1 58 58 ALA C C 58 180.708 180.708 179.678 1.030 17588 2664 1 5 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.087 0.023 17588 2665 1 5 . 1 1 58 58 ALA CB C 58 17.548 17.548 17.929 -0.381 17588 2666 1 5 . 1 1 58 58 ALA H H 58 7.701 7.701 7.547 0.154 17588 2667 1 5 . 1 1 59 59 ILE N N 59 117.672 117.672 118.705 -1.033 17588 2668 1 5 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.936 -0.263 17588 2669 1 5 . 1 1 59 59 ILE C C 59 177.728 177.728 178.488 -0.760 17588 2670 1 5 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.679 -0.701 17588 2671 1 5 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.812 0.001 17588 2672 1 5 . 1 1 59 59 ILE H H 59 7.547 7.547 7.244 0.303 17588 2673 1 5 . 1 1 60 60 MET N N 60 117.653 117.653 116.599 1.054 17588 2674 1 5 . 1 1 60 60 MET HA H 60 4.098 4.098 4.158 -0.060 17588 2675 1 5 . 1 1 60 60 MET C C 60 178.085 178.085 177.337 0.748 17588 2676 1 5 . 1 1 60 60 MET CA C 60 58.060 58.060 57.922 0.138 17588 2677 1 5 . 1 1 60 60 MET CB C 60 32.178 32.178 31.862 0.316 17588 2678 1 5 . 1 1 60 60 MET H H 60 7.718 7.718 8.026 -0.308 17588 2679 1 5 . 1 1 61 61 ALA N N 61 118.874 118.874 120.620 -1.746 17588 2680 1 5 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.290 -0.016 17588 2681 1 5 . 1 1 61 61 ALA C C 61 177.758 177.758 177.775 -0.017 17588 2682 1 5 . 1 1 61 61 ALA CA C 61 53.442 53.442 53.159 0.283 17588 2683 1 5 . 1 1 61 61 ALA CB C 61 19.068 19.068 20.032 -0.964 17588 2684 1 5 . 1 1 61 61 ALA H H 61 7.513 7.513 7.610 -0.097 17588 2685 1 5 . 1 1 62 62 ASP N N 62 115.735 115.735 115.956 -0.221 17588 2686 1 5 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.126 -0.193 17588 2687 1 5 . 1 1 62 62 ASP C C 62 172.960 172.960 174.528 -1.568 17588 2688 1 5 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.499 -0.375 17588 2689 1 5 . 1 1 62 62 ASP CB C 62 41.384 41.384 43.886 -2.502 17588 2690 1 5 . 1 1 62 62 ASP H H 62 7.615 7.615 7.753 -0.138 17588 2691 1 5 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.384 0.062 17588 2692 1 5 . 1 1 63 63 PRO C C 63 179.157 179.157 178.557 0.600 17588 2693 1 5 . 1 1 63 63 PRO CA C 63 64.399 64.399 65.495 -1.096 17588 2694 1 5 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.353 -0.093 17588 2695 1 5 . 1 1 64 64 ASN N N 64 115.566 115.566 118.987 -3.421 17588 2696 1 5 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.427 0.125 17588 2697 1 5 . 1 1 64 64 ASN C C 64 176.867 176.867 177.091 -0.224 17588 2698 1 5 . 1 1 64 64 ASN CA C 64 55.321 55.321 56.652 -1.331 17588 2699 1 5 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.660 0.242 17588 2700 1 5 . 1 1 64 64 ASN H H 64 8.094 8.094 8.796 -0.702 17588 2701 1 5 . 1 1 65 65 LYS N N 65 118.691 118.691 118.888 -0.197 17588 2702 1 5 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.237 -0.059 17588 2703 1 5 . 1 1 65 65 LYS C C 65 175.844 175.844 177.924 -2.080 17588 2704 1 5 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.504 -2.270 17588 2705 1 5 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.562 1.315 17588 2706 1 5 . 1 1 65 65 LYS H H 65 8.185 8.185 8.179 0.006 17588 2707 1 5 . 1 1 66 66 ALA N N 66 120.147 120.147 121.578 -1.431 17588 2708 1 5 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.587 -0.545 17588 2709 1 5 . 1 1 66 66 ALA C C 66 176.697 176.697 178.721 -2.024 17588 2710 1 5 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.008 0.804 17588 2711 1 5 . 1 1 66 66 ALA CB C 66 18.234 18.234 18.049 0.185 17588 2712 1 5 . 1 1 66 66 ALA H H 66 7.233 7.233 8.240 -1.007 17588 2713 1 5 . 1 1 67 67 ASP N N 67 114.524 114.524 119.441 -4.917 17588 2714 1 5 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.431 -0.258 17588 2715 1 5 . 1 1 67 67 ASP C C 67 178.071 178.071 177.951 0.120 17588 2716 1 5 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.351 1.017 17588 2717 1 5 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.509 0.135 17588 2718 1 5 . 1 1 67 67 ASP H H 67 8.114 8.114 7.810 0.304 17588 2719 1 5 . 1 1 68 68 GLU N N 68 117.486 117.486 119.357 -1.871 17588 2720 1 5 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.844 0.049 17588 2721 1 5 . 1 1 68 68 GLU C C 68 178.885 178.885 179.081 -0.196 17588 2722 1 5 . 1 1 68 68 GLU CA C 68 58.745 58.745 59.003 -0.258 17588 2723 1 5 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.101 0.560 17588 2724 1 5 . 1 1 68 68 GLU H H 68 7.846 7.846 7.568 0.278 17588 2725 1 5 . 1 1 69 69 VAL N N 69 120.957 120.957 120.799 0.158 17588 2726 1 5 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.138 -0.092 17588 2727 1 5 . 1 1 69 69 VAL C C 69 176.618 176.618 178.201 -1.583 17588 2728 1 5 . 1 1 69 69 VAL CA C 69 66.453 66.453 66.079 0.374 17588 2729 1 5 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.518 0.520 17588 2730 1 5 . 1 1 69 69 VAL H H 69 7.325 7.325 7.276 0.049 17588 2731 1 5 . 1 1 70 70 TYR N N 70 117.638 117.638 118.457 -0.819 17588 2732 1 5 . 1 1 70 70 TYR HA H 70 4.175 4.175 3.984 0.191 17588 2733 1 5 . 1 1 70 70 TYR C C 70 178.493 178.493 177.896 0.597 17588 2734 1 5 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.455 -2.974 17588 2735 1 5 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.867 -3.004 17588 2736 1 5 . 1 1 70 70 TYR H H 70 8.483 8.483 7.965 0.518 17588 2737 1 5 . 1 1 71 71 LYS N N 71 117.283 117.283 116.917 0.366 17588 2738 1 5 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.296 -0.082 17588 2739 1 5 . 1 1 71 71 LYS C C 71 178.790 178.790 178.921 -0.131 17588 2740 1 5 . 1 1 71 71 LYS CA C 71 59.793 59.793 58.545 1.248 17588 2741 1 5 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.852 -0.345 17588 2742 1 5 . 1 1 71 71 LYS H H 71 7.754 7.754 7.621 0.133 17588 2743 1 5 . 1 1 72 72 LYS N N 72 120.053 120.053 120.537 -0.484 17588 2744 1 5 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.952 0.189 17588 2745 1 5 . 1 1 72 72 LYS C C 72 180.399 180.399 178.966 1.433 17588 2746 1 5 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.606 0.122 17588 2747 1 5 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.221 -0.207 17588 2748 1 5 . 1 1 72 72 LYS H H 72 7.386 7.386 7.827 -0.441 17588 2749 1 5 . 1 1 73 73 TRP N N 73 121.910 121.910 119.534 2.376 17588 2750 1 5 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.379 0.134 17588 2751 1 5 . 1 1 73 73 TRP C C 73 177.981 177.981 178.531 -0.550 17588 2752 1 5 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.550 -1.635 17588 2753 1 5 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.482 1.080 17588 2754 1 5 . 1 1 73 73 TRP H H 73 8.659 8.659 8.178 0.481 17588 2755 1 5 . 1 1 74 74 ALA N N 74 123.471 123.471 119.860 3.611 17588 2756 1 5 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.171 0.321 17588 2757 1 5 . 1 1 74 74 ALA C C 74 182.881 182.881 179.810 3.071 17588 2758 1 5 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.114 0.235 17588 2759 1 5 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.304 0.088 17588 2760 1 5 . 1 1 74 74 ALA H H 74 9.137 9.137 8.193 0.944 17588 2761 1 5 . 1 1 75 75 ASP N N 75 121.896 121.896 118.348 3.548 17588 2762 1 5 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.419 0.045 17588 2763 1 5 . 1 1 75 75 ASP C C 75 178.714 178.714 178.041 0.673 17588 2764 1 5 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.552 0.542 17588 2765 1 5 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.869 -0.284 17588 2766 1 5 . 1 1 75 75 ASP H H 75 8.804 8.804 8.114 0.690 17588 2767 1 5 . 1 1 76 76 LYS N N 76 118.966 118.966 117.599 1.367 17588 2768 1 5 . 1 1 76 76 LYS HA H 76 4.029 4.029 3.958 0.071 17588 2769 1 5 . 1 1 76 76 LYS C C 76 176.868 176.868 177.267 -0.399 17588 2770 1 5 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.875 -0.378 17588 2771 1 5 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.520 -0.835 17588 2772 1 5 . 1 1 76 76 LYS H H 76 7.630 7.630 7.992 -0.362 17588 2773 1 5 . 1 1 77 77 GLY N N 77 107.310 107.310 105.142 2.168 17588 2774 1 5 . 1 1 77 77 GLY C C 77 175.407 175.407 174.055 1.352 17588 2775 1 5 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.459 0.730 17588 2776 1 5 . 1 1 77 77 GLY H H 77 7.901 7.901 7.579 0.322 17588 2777 1 5 . 1 1 78 78 TYR N N 78 117.917 117.917 120.057 -2.140 17588 2778 1 5 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.780 0.512 17588 2779 1 5 . 1 1 78 78 TYR C C 78 178.422 178.422 175.102 3.320 17588 2780 1 5 . 1 1 78 78 TYR CA C 78 55.545 55.545 56.543 -0.998 17588 2781 1 5 . 1 1 78 78 TYR CB C 78 36.781 36.781 39.783 -3.002 17588 2782 1 5 . 1 1 78 78 TYR H H 78 7.506 7.506 7.729 -0.223 17588 2783 1 5 . 1 1 79 79 THR N N 79 119.420 119.420 112.154 7.266 17588 2784 1 5 . 1 1 79 79 THR HA H 79 4.518 4.518 4.725 -0.207 17588 2785 1 5 . 1 1 79 79 THR C C 79 175.648 175.648 175.629 0.019 17588 2786 1 5 . 1 1 79 79 THR CA C 79 60.027 60.027 60.193 -0.166 17588 2787 1 5 . 1 1 79 79 THR CB C 79 71.622 71.622 71.480 0.142 17588 2788 1 5 . 1 1 79 79 THR H H 79 8.957 8.957 8.160 0.797 17588 2789 1 5 . 1 1 80 80 LEU N N 80 119.655 119.655 122.725 -3.070 17588 2790 1 5 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.058 0.122 17588 2791 1 5 . 1 1 80 80 LEU C C 80 180.085 180.085 178.930 1.155 17588 2792 1 5 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.990 -0.077 17588 2793 1 5 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.214 -1.561 17588 2794 1 5 . 1 1 80 80 LEU H H 80 9.005 9.005 8.792 0.213 17588 2795 1 5 . 1 1 81 81 THR N N 81 115.259 115.259 112.716 2.543 17588 2796 1 5 . 1 1 81 81 THR HA H 81 3.939 3.939 3.919 0.020 17588 2797 1 5 . 1 1 81 81 THR C C 81 177.000 177.000 176.387 0.613 17588 2798 1 5 . 1 1 81 81 THR CA C 81 66.349 66.349 66.597 -0.248 17588 2799 1 5 . 1 1 81 81 THR CB C 81 68.591 68.591 68.562 0.029 17588 2800 1 5 . 1 1 81 81 THR H H 81 8.135 8.135 8.133 0.002 17588 2801 1 5 . 1 1 82 82 GLN N N 82 121.304 121.304 119.497 1.807 17588 2802 1 5 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.865 -0.212 17588 2803 1 5 . 1 1 82 82 GLN C C 82 178.354 178.354 178.019 0.335 17588 2804 1 5 . 1 1 82 82 GLN CA C 82 58.640 58.640 57.890 0.750 17588 2805 1 5 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.540 0.374 17588 2806 1 5 . 1 1 82 82 GLN H H 82 7.641 7.641 7.514 0.127 17588 2807 1 5 . 1 1 83 83 MET N N 83 117.464 117.464 119.819 -2.355 17588 2808 1 5 . 1 1 83 83 MET HA H 83 4.425 4.425 3.956 0.469 17588 2809 1 5 . 1 1 83 83 MET C C 83 177.906 177.906 178.268 -0.362 17588 2810 1 5 . 1 1 83 83 MET CA C 83 55.462 55.462 58.257 -2.795 17588 2811 1 5 . 1 1 83 83 MET CB C 83 29.014 29.014 32.035 -3.022 17588 2812 1 5 . 1 1 83 83 MET H H 83 8.665 8.665 8.580 0.085 17588 2813 1 5 . 1 1 84 84 SER N N 84 114.879 114.879 115.171 -0.292 17588 2814 1 5 . 1 1 84 84 SER HA H 84 3.689 3.689 4.040 -0.351 17588 2815 1 5 . 1 1 84 84 SER C C 84 176.666 176.666 175.917 0.749 17588 2816 1 5 . 1 1 84 84 SER CA C 84 61.347 61.347 61.484 -0.137 17588 2817 1 5 . 1 1 84 84 SER CB C 84 62.356 62.356 62.876 -0.520 17588 2818 1 5 . 1 1 84 84 SER H H 84 8.607 8.607 7.999 0.608 17588 2819 1 5 . 1 1 85 85 ASN N N 85 117.904 117.904 117.484 0.420 17588 2820 1 5 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.314 0.102 17588 2821 1 5 . 1 1 85 85 ASN C C 85 177.997 177.997 177.962 0.035 17588 2822 1 5 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.558 0.395 17588 2823 1 5 . 1 1 85 85 ASN CB C 85 38.260 38.260 38.074 0.186 17588 2824 1 5 . 1 1 85 85 ASN H H 85 7.204 7.204 7.616 -0.412 17588 2825 1 5 . 1 1 86 86 PHE N N 86 118.316 118.316 118.345 -0.029 17588 2826 1 5 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.219 0.209 17588 2827 1 5 . 1 1 86 86 PHE C C 86 177.478 177.478 176.863 0.615 17588 2828 1 5 . 1 1 86 86 PHE CA C 86 58.394 58.394 60.123 -1.729 17588 2829 1 5 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.945 -0.110 17588 2830 1 5 . 1 1 86 86 PHE H H 86 8.367 8.367 7.395 0.972 17588 2831 1 5 . 1 1 87 87 LEU N N 87 112.533 112.533 116.705 -4.172 17588 2832 1 5 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.025 0.075 17588 2833 1 5 . 1 1 87 87 LEU C C 87 176.474 176.474 176.737 -0.263 17588 2834 1 5 . 1 1 87 87 LEU CA C 87 54.549 54.549 53.957 0.592 17588 2835 1 5 . 1 1 87 87 LEU CB C 87 41.371 41.371 39.737 1.634 17588 2836 1 5 . 1 1 87 87 LEU H H 87 7.778 7.778 7.946 -0.168 17588 2837 1 5 . 1 1 88 88 LYS N N 88 119.798 119.798 119.427 0.371 17588 2838 1 5 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.065 0.183 17588 2839 1 5 . 1 1 88 88 LYS C C 88 176.594 176.594 177.667 -1.073 17588 2840 1 5 . 1 1 88 88 LYS CA C 88 57.674 57.674 58.520 -0.846 17588 2841 1 5 . 1 1 88 88 LYS CB C 88 32.671 32.671 32.441 0.230 17588 2842 1 5 . 1 1 88 88 LYS H H 88 7.328 7.328 7.218 0.110 17588 2843 1 5 . 1 1 89 89 SER N N 89 117.937 117.937 114.527 3.410 17588 2844 1 5 . 1 1 89 89 SER HA H 89 4.785 4.785 4.175 0.610 17588 2845 1 5 . 1 1 89 89 SER CA C 89 57.375 57.375 58.910 -1.535 17588 2846 1 5 . 1 1 89 89 SER CB C 89 64.838 64.838 62.482 2.356 17588 2847 1 5 . 1 1 89 89 SER H H 89 8.197 8.197 8.369 -0.172 17588 2848 1 5 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.973 0.181 17588 2849 1 5 . 1 1 90 90 LYS C C 90 177.472 177.472 175.714 1.758 17588 2850 1 5 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.691 0.702 17588 2851 1 5 . 1 1 90 90 LYS CB C 90 31.767 31.767 30.495 1.272 17588 2852 1 5 . 1 1 90 90 LYS H H 90 7.981 7.981 8.466 -0.485 17588 2853 1 5 . 1 1 91 91 THR N N 91 113.435 113.435 113.885 -0.450 17588 2854 1 5 . 1 1 91 91 THR HA H 91 4.342 4.342 4.518 -0.176 17588 2855 1 5 . 1 1 91 91 THR C C 91 174.236 174.236 175.165 -0.929 17588 2856 1 5 . 1 1 91 91 THR CA C 91 61.203 61.203 61.357 -0.154 17588 2857 1 5 . 1 1 91 91 THR CB C 91 69.254 69.254 71.251 -1.997 17588 2858 1 5 . 1 1 91 91 THR H H 91 7.942 7.942 7.516 0.426 17588 2859 1 5 . 1 1 92 92 ALA N N 92 129.685 129.685 129.427 0.258 17588 2860 1 5 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.102 0.076 17588 2861 1 5 . 1 1 92 92 ALA C C 92 178.710 178.710 177.960 0.750 17588 2862 1 5 . 1 1 92 92 ALA CA C 92 53.583 53.583 54.275 -0.692 17588 2863 1 5 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.994 -0.913 17588 2864 1 5 . 1 1 92 92 ALA H H 92 8.603 8.603 8.644 -0.041 17588 2865 1 5 . 1 1 93 93 GLY N N 93 109.919 109.919 105.799 4.120 17588 2866 1 5 . 1 1 93 93 GLY C C 93 176.310 176.310 174.089 2.221 17588 2867 1 5 . 1 1 93 93 GLY CA C 93 45.505 45.505 44.894 0.612 17588 2868 1 5 . 1 1 93 93 GLY H H 93 8.823 8.823 7.964 0.859 17588 2869 1 5 . 1 1 94 94 LYS N N 94 120.949 120.949 124.119 -3.170 17588 2870 1 5 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.130 -0.338 17588 2871 1 5 . 1 1 94 94 LYS C C 94 177.630 177.630 177.321 0.309 17588 2872 1 5 . 1 1 94 94 LYS CA C 94 59.606 59.606 58.289 1.317 17588 2873 1 5 . 1 1 94 94 LYS CB C 94 33.246 33.246 32.909 0.337 17588 2874 1 5 . 1 1 94 94 LYS H H 94 7.501 7.501 8.193 -0.692 17588 2875 1 5 . 1 1 95 95 TYR N N 95 113.034 113.034 117.427 -4.393 17588 2876 1 5 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.733 0.314 17588 2877 1 5 . 1 1 95 95 TYR C C 95 176.649 176.649 175.528 1.121 17588 2878 1 5 . 1 1 95 95 TYR CA C 95 56.936 56.936 57.254 -0.318 17588 2879 1 5 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.096 1.905 17588 2880 1 5 . 1 1 95 95 TYR H H 95 8.670 8.670 8.332 0.338 17588 2881 1 5 . 1 1 96 96 ASP N N 96 123.097 123.097 122.447 0.650 17588 2882 1 5 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.497 -0.168 17588 2883 1 5 . 1 1 96 96 ASP C C 96 178.087 178.087 177.767 0.320 17588 2884 1 5 . 1 1 96 96 ASP CA C 96 58.619 58.619 57.097 1.522 17588 2885 1 5 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.986 -1.416 17588 2886 1 5 . 1 1 96 96 ASP H H 96 7.756 7.756 8.260 -0.504 17588 2887 1 5 . 1 1 97 97 ARG N N 97 118.384 118.384 119.303 -0.919 17588 2888 1 5 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.206 0.056 17588 2889 1 5 . 1 1 97 97 ARG C C 97 179.927 179.927 178.779 1.148 17588 2890 1 5 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.209 0.537 17588 2891 1 5 . 1 1 97 97 ARG CB C 97 29.794 29.794 30.409 -0.615 17588 2892 1 5 . 1 1 97 97 ARG H H 97 8.897 8.897 8.420 0.477 17588 2893 1 5 . 1 1 98 98 VAL N N 98 119.642 119.642 118.739 0.903 17588 2894 1 5 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.109 -0.171 17588 2895 1 5 . 1 1 98 98 VAL C C 98 179.630 179.630 178.544 1.086 17588 2896 1 5 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.523 0.281 17588 2897 1 5 . 1 1 98 98 VAL CB C 98 32.054 32.054 32.390 -0.336 17588 2898 1 5 . 1 1 98 98 VAL H H 98 7.578 7.578 7.452 0.126 17588 2899 1 5 . 1 1 99 99 TYR N N 99 122.432 122.432 121.718 0.714 17588 2900 1 5 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.133 -0.199 17588 2901 1 5 . 1 1 99 99 TYR C C 99 176.400 176.400 177.295 -0.895 17588 2902 1 5 . 1 1 99 99 TYR CA C 99 62.906 62.906 62.079 0.827 17588 2903 1 5 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.484 -0.162 17588 2904 1 5 . 1 1 99 99 TYR H H 99 8.635 8.635 8.845 -0.210 17588 2905 1 5 . 1 1 100 100 ASN N N 100 117.211 117.211 117.877 -0.666 17588 2906 1 5 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.319 -0.033 17588 2907 1 5 . 1 1 100 100 ASN C C 100 178.488 178.488 177.648 0.840 17588 2908 1 5 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.640 -0.784 17588 2909 1 5 . 1 1 100 100 ASN CB C 100 37.849 37.849 38.006 -0.157 17588 2910 1 5 . 1 1 100 100 ASN H H 100 9.024 9.024 8.480 0.544 17588 2911 1 5 . 1 1 101 101 GLY N N 101 105.413 105.413 108.144 -2.731 17588 2912 1 5 . 1 1 101 101 GLY C C 101 175.833 175.833 175.825 0.008 17588 2913 1 5 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.224 -0.192 17588 2914 1 5 . 1 1 101 101 GLY H H 101 7.908 7.908 7.842 0.066 17588 2915 1 5 . 1 1 102 102 TYR N N 102 126.373 126.373 123.571 2.802 17588 2916 1 5 . 1 1 102 102 TYR HA H 102 3.467 3.467 4.013 -0.546 17588 2917 1 5 . 1 1 102 102 TYR C C 102 176.016 176.016 178.031 -2.015 17588 2918 1 5 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.176 -0.623 17588 2919 1 5 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.250 -0.360 17588 2920 1 5 . 1 1 102 102 TYR H H 102 7.581 7.581 7.648 -0.067 17588 2921 1 5 . 1 1 103 103 VAL N N 103 117.870 117.870 116.851 1.019 17588 2922 1 5 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.294 -0.152 17588 2923 1 5 . 1 1 103 103 VAL C C 103 178.786 178.786 178.223 0.563 17588 2924 1 5 . 1 1 103 103 VAL CA C 103 66.577 66.577 67.002 -0.425 17588 2925 1 5 . 1 1 103 103 VAL CB C 103 31.747 31.747 31.051 0.696 17588 2926 1 5 . 1 1 103 103 VAL H H 103 7.510 7.510 7.548 -0.038 17588 2927 1 5 . 1 1 104 104 ILE N N 104 116.770 116.770 118.319 -1.549 17588 2928 1 5 . 1 1 104 104 ILE HA H 104 3.692 3.692 4.006 -0.314 17588 2929 1 5 . 1 1 104 104 ILE C C 104 178.703 178.703 178.117 0.586 17588 2930 1 5 . 1 1 104 104 ILE CA C 104 63.837 63.837 63.879 -0.042 17588 2931 1 5 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.603 0.329 17588 2932 1 5 . 1 1 104 104 ILE H H 104 7.056 7.056 7.475 -0.419 17588 2933 1 5 . 1 1 105 105 HIS N N 105 121.324 121.324 118.950 2.374 17588 2934 1 5 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.200 -0.248 17588 2935 1 5 . 1 1 105 105 HIS C C 105 176.974 176.974 178.036 -1.062 17588 2936 1 5 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.606 0.544 17588 2937 1 5 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.752 0.772 17588 2938 1 5 . 1 1 105 105 HIS H H 105 7.864 7.864 7.993 -0.129 17588 2939 1 5 . 1 1 106 106 LEU N N 106 115.126 115.126 117.068 -1.942 17588 2940 1 5 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.294 -0.459 17588 2941 1 5 . 1 1 106 106 LEU C C 106 177.315 177.315 177.151 0.164 17588 2942 1 5 . 1 1 106 106 LEU CA C 106 55.707 55.707 56.320 -0.613 17588 2943 1 5 . 1 1 106 106 LEU CB C 106 42.041 42.041 42.123 -0.082 17588 2944 1 5 . 1 1 106 106 LEU H H 106 7.517 7.517 7.836 -0.319 17588 2945 1 5 . 1 1 107 107 ASP N N 107 119.221 119.221 117.118 2.103 17588 2946 1 5 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.377 0.124 17588 2947 1 5 . 1 1 107 107 ASP C C 107 175.224 175.224 176.648 -1.424 17588 2948 1 5 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.462 -0.844 17588 2949 1 5 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.927 -0.162 17588 2950 1 5 . 1 1 107 107 ASP H H 107 7.512 7.512 7.657 -0.145 17588 2951 1 6 . 1 1 6 6 SER HA H 6 4.480 4.480 5.205 -0.725 17588 2952 1 6 . 1 1 6 6 SER C C 6 174.995 174.995 172.891 2.104 17588 2953 1 6 . 1 1 6 6 SER CA C 6 58.675 58.675 58.206 0.469 17588 2954 1 6 . 1 1 6 6 SER CB C 6 63.822 63.822 65.208 -1.386 17588 2955 1 6 . 1 1 7 7 GLY N N 7 110.458 110.458 109.258 1.200 17588 2956 1 6 . 1 1 7 7 GLY C C 7 173.853 173.853 172.257 1.596 17588 2957 1 6 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.462 0.885 17588 2958 1 6 . 1 1 7 7 GLY H H 7 8.394 8.394 9.033 -0.639 17588 2959 1 6 . 1 1 8 8 ASN N N 8 119.020 119.020 117.367 1.653 17588 2960 1 6 . 1 1 8 8 ASN HA H 8 4.757 4.757 5.483 -0.726 17588 2961 1 6 . 1 1 8 8 ASN C C 8 175.389 175.389 173.630 1.759 17588 2962 1 6 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.138 1.093 17588 2963 1 6 . 1 1 8 8 ASN CB C 8 38.959 38.959 41.611 -2.652 17588 2964 1 6 . 1 1 8 8 ASN H H 8 8.308 8.308 9.189 -0.881 17588 2965 1 6 . 1 1 9 9 VAL N N 9 120.281 120.281 119.065 1.216 17588 2966 1 6 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.533 -0.418 17588 2967 1 6 . 1 1 9 9 VAL C C 9 175.980 175.980 173.812 2.168 17588 2968 1 6 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.135 0.333 17588 2969 1 6 . 1 1 9 9 VAL CB C 9 32.712 32.712 34.269 -1.556 17588 2970 1 6 . 1 1 9 9 VAL H H 9 8.173 8.173 9.038 -0.865 17588 2971 1 6 . 1 1 10 10 ASP N N 10 123.840 123.840 123.536 0.304 17588 2972 1 6 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.996 -0.372 17588 2973 1 6 . 1 1 10 10 ASP C C 10 176.599 176.599 174.078 2.521 17588 2974 1 6 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.735 0.655 17588 2975 1 6 . 1 1 10 10 ASP CB C 10 41.343 41.343 43.473 -2.130 17588 2976 1 6 . 1 1 10 10 ASP H H 10 8.418 8.418 8.732 -0.314 17588 2977 1 6 . 1 1 11 11 SER N N 11 117.003 117.003 115.002 2.001 17588 2978 1 6 . 1 1 11 11 SER HA H 11 4.395 4.395 4.976 -0.581 17588 2979 1 6 . 1 1 11 11 SER C C 11 174.834 174.834 172.629 2.205 17588 2980 1 6 . 1 1 11 11 SER CA C 11 58.886 58.886 57.939 0.947 17588 2981 1 6 . 1 1 11 11 SER CB C 11 63.740 63.740 65.132 -1.392 17588 2982 1 6 . 1 1 11 11 SER H H 11 8.312 8.312 8.764 -0.452 17588 2983 1 6 . 1 1 12 12 ASN N N 12 120.512 120.512 119.131 1.381 17588 2984 1 6 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.855 -0.170 17588 2985 1 6 . 1 1 12 12 ASN C C 12 175.646 175.646 173.287 2.359 17588 2986 1 6 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.864 0.929 17588 2987 1 6 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.656 -1.026 17588 2988 1 6 . 1 1 12 12 ASN H H 12 8.511 8.511 8.381 0.130 17588 2989 1 6 . 1 1 13 13 GLN N N 13 120.057 120.057 118.380 1.677 17588 2990 1 6 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.652 -0.414 17588 2991 1 6 . 1 1 13 13 GLN C C 13 175.988 175.988 173.859 2.129 17588 2992 1 6 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.192 1.255 17588 2993 1 6 . 1 1 13 13 GLN CB C 13 29.137 29.137 30.278 -1.141 17588 2994 1 6 . 1 1 13 13 GLN H H 13 8.258 8.258 8.441 -0.183 17588 2995 1 6 . 1 1 14 14 ASN N N 14 119.323 119.323 118.425 0.898 17588 2996 1 6 . 1 1 14 14 ASN HA H 14 4.685 4.685 5.090 -0.405 17588 2997 1 6 . 1 1 14 14 ASN C C 14 175.552 175.552 173.163 2.389 17588 2998 1 6 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.360 1.205 17588 2999 1 6 . 1 1 14 14 ASN CB C 14 38.763 38.763 41.279 -2.515 17588 3000 1 6 . 1 1 14 14 ASN H H 14 8.377 8.377 8.863 -0.486 17588 3001 1 6 . 1 1 15 15 LYS N N 15 121.938 121.938 118.415 3.523 17588 3002 1 6 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.641 -0.427 17588 3003 1 6 . 1 1 15 15 LYS C C 15 176.933 176.933 174.007 2.926 17588 3004 1 6 . 1 1 15 15 LYS CA C 15 57.235 57.235 56.397 0.838 17588 3005 1 6 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.101 -0.348 17588 3006 1 6 . 1 1 15 15 LYS H H 15 8.224 8.224 8.527 -0.303 17588 3007 1 6 . 1 1 16 16 ALA N N 16 123.956 123.956 125.617 -1.661 17588 3008 1 6 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.580 -0.306 17588 3009 1 6 . 1 1 16 16 ALA C C 16 178.593 178.593 176.866 1.727 17588 3010 1 6 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.519 1.923 17588 3011 1 6 . 1 1 16 16 ALA CB C 16 18.863 18.863 19.914 -1.051 17588 3012 1 6 . 1 1 16 16 ALA H H 16 8.292 8.292 8.267 0.025 17588 3013 1 6 . 1 1 17 17 SER N N 17 114.462 114.462 115.665 -1.203 17588 3014 1 6 . 1 1 17 17 SER HA H 17 4.365 4.365 4.286 0.079 17588 3015 1 6 . 1 1 17 17 SER C C 17 175.370 175.370 174.678 0.692 17588 3016 1 6 . 1 1 17 17 SER CA C 17 59.077 59.077 60.137 -1.060 17588 3017 1 6 . 1 1 17 17 SER CB C 17 63.383 63.383 63.319 0.064 17588 3018 1 6 . 1 1 17 17 SER H H 17 8.200 8.200 8.559 -0.359 17588 3019 1 6 . 1 1 18 18 MET N N 18 121.999 121.999 116.146 5.853 17588 3020 1 6 . 1 1 18 18 MET HA H 18 4.429 4.429 4.203 0.226 17588 3021 1 6 . 1 1 18 18 MET C C 18 176.829 176.829 175.348 1.481 17588 3022 1 6 . 1 1 18 18 MET CA C 18 56.357 56.357 56.052 0.305 17588 3023 1 6 . 1 1 18 18 MET CB C 18 32.630 32.630 30.705 1.925 17588 3024 1 6 . 1 1 18 18 MET H H 18 8.214 8.214 8.093 0.121 17588 3025 1 6 . 1 1 19 19 LEU N N 19 122.083 122.083 119.555 2.528 17588 3026 1 6 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.591 -0.335 17588 3027 1 6 . 1 1 19 19 LEU C C 19 177.774 177.774 176.939 0.835 17588 3028 1 6 . 1 1 19 19 LEU CA C 19 56.111 56.111 56.363 -0.252 17588 3029 1 6 . 1 1 19 19 LEU CB C 19 42.041 42.041 42.530 -0.489 17588 3030 1 6 . 1 1 19 19 LEU H H 19 8.076 8.076 7.767 0.309 17588 3031 1 6 . 1 1 20 20 GLN N N 20 120.123 120.123 121.062 -0.939 17588 3032 1 6 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.188 0.019 17588 3033 1 6 . 1 1 20 20 GLN C C 20 176.166 176.166 174.780 1.386 17588 3034 1 6 . 1 1 20 20 GLN CA C 20 56.409 56.409 56.398 0.011 17588 3035 1 6 . 1 1 20 20 GLN CB C 20 29.196 29.196 28.903 0.293 17588 3036 1 6 . 1 1 20 20 GLN H H 20 8.174 8.174 8.277 -0.103 17588 3037 1 6 . 1 1 21 21 ALA N N 21 124.216 124.216 126.858 -2.642 17588 3038 1 6 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.686 -0.432 17588 3039 1 6 . 1 1 21 21 ALA C C 21 178.034 178.034 176.644 1.390 17588 3040 1 6 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.646 1.480 17588 3041 1 6 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.505 -1.434 17588 3042 1 6 . 1 1 21 21 ALA H H 21 8.151 8.151 8.375 -0.224 17588 3043 1 6 . 1 1 22 22 ARG N N 22 119.591 119.591 119.944 -0.353 17588 3044 1 6 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.398 -0.090 17588 3045 1 6 . 1 1 22 22 ARG C C 22 176.750 176.750 174.513 2.237 17588 3046 1 6 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.553 0.874 17588 3047 1 6 . 1 1 22 22 ARG CB C 22 30.616 30.616 31.391 -0.775 17588 3048 1 6 . 1 1 22 22 ARG H H 22 8.147 8.147 8.631 -0.484 17588 3049 1 6 . 1 1 23 23 LEU N N 23 122.553 122.553 123.699 -1.146 17588 3050 1 6 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.119 0.155 17588 3051 1 6 . 1 1 23 23 LEU C C 23 177.547 177.547 176.541 1.006 17588 3052 1 6 . 1 1 23 23 LEU CA C 23 55.690 55.690 55.868 -0.178 17588 3053 1 6 . 1 1 23 23 LEU CB C 23 42.082 42.082 42.159 -0.077 17588 3054 1 6 . 1 1 23 23 LEU H H 23 8.220 8.220 8.389 -0.169 17588 3055 1 6 . 1 1 24 24 ASN N N 24 118.666 118.666 121.250 -2.584 17588 3056 1 6 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.680 -0.007 17588 3057 1 6 . 1 1 24 24 ASN C C 24 175.246 175.246 175.582 -0.336 17588 3058 1 6 . 1 1 24 24 ASN CA C 24 53.565 53.565 53.592 -0.027 17588 3059 1 6 . 1 1 24 24 ASN CB C 24 38.836 38.836 39.002 -0.166 17588 3060 1 6 . 1 1 24 24 ASN H H 24 8.351 8.351 8.516 -0.165 17588 3061 1 6 . 1 1 25 25 ASP N N 25 120.897 120.897 121.299 -0.402 17588 3062 1 6 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.700 -0.124 17588 3063 1 6 . 1 1 25 25 ASP C C 25 176.732 176.732 175.173 1.559 17588 3064 1 6 . 1 1 25 25 ASP CA C 25 54.706 54.706 54.521 0.185 17588 3065 1 6 . 1 1 25 25 ASP CB C 25 41.219 41.219 41.668 -0.449 17588 3066 1 6 . 1 1 25 25 ASP H H 25 8.234 8.234 8.152 0.082 17588 3067 1 6 . 1 1 26 26 GLU N N 26 121.168 121.168 121.545 -0.377 17588 3068 1 6 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.421 -0.207 17588 3069 1 6 . 1 1 26 26 GLU C C 26 176.857 176.857 175.936 0.921 17588 3070 1 6 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.403 1.844 17588 3071 1 6 . 1 1 26 26 GLU CB C 26 29.959 29.959 32.033 -2.074 17588 3072 1 6 . 1 1 26 26 GLU H H 26 8.368 8.368 8.319 0.049 17588 3073 1 6 . 1 1 27 27 ALA N N 27 124.100 124.100 126.112 -2.012 17588 3074 1 6 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.640 -0.323 17588 3075 1 6 . 1 1 27 27 ALA C C 27 178.520 178.520 177.570 0.950 17588 3076 1 6 . 1 1 27 27 ALA CA C 27 52.986 52.986 51.499 1.487 17588 3077 1 6 . 1 1 27 27 ALA CB C 27 18.945 18.945 17.677 1.268 17588 3078 1 6 . 1 1 27 27 ALA H H 27 8.289 8.289 8.648 -0.359 17588 3079 1 6 . 1 1 28 28 GLY N N 28 107.844 107.844 110.841 -2.997 17588 3080 1 6 . 1 1 28 28 GLY C C 28 175.019 175.019 174.413 0.606 17588 3081 1 6 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.098 0.530 17588 3082 1 6 . 1 1 28 28 GLY H H 28 8.315 8.315 8.031 0.284 17588 3083 1 6 . 1 1 29 29 GLY N N 29 108.754 108.754 108.974 -0.220 17588 3084 1 6 . 1 1 29 29 GLY C C 29 174.659 174.659 172.828 1.831 17588 3085 1 6 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.234 0.253 17588 3086 1 6 . 1 1 29 29 GLY H H 29 8.266 8.266 8.269 -0.003 17588 3087 1 6 . 1 1 30 30 THR N N 30 114.068 114.068 112.994 1.074 17588 3088 1 6 . 1 1 30 30 THR HA H 30 4.301 4.301 4.489 -0.188 17588 3089 1 6 . 1 1 30 30 THR C C 30 174.789 174.789 174.338 0.451 17588 3090 1 6 . 1 1 30 30 THR CA C 30 62.327 62.327 61.782 0.545 17588 3091 1 6 . 1 1 30 30 THR CB C 30 69.553 69.553 69.588 -0.035 17588 3092 1 6 . 1 1 30 30 THR H H 30 8.111 8.111 8.180 -0.069 17588 3093 1 6 . 1 1 31 31 ARG N N 31 123.536 123.536 123.338 0.198 17588 3094 1 6 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.602 -0.303 17588 3095 1 6 . 1 1 31 31 ARG C C 31 176.125 176.125 175.329 0.796 17588 3096 1 6 . 1 1 31 31 ARG CA C 31 56.462 56.462 56.070 0.392 17588 3097 1 6 . 1 1 31 31 ARG CB C 31 30.657 30.657 31.613 -0.956 17588 3098 1 6 . 1 1 31 31 ARG H H 31 8.343 8.343 8.453 -0.110 17588 3099 1 6 . 1 1 32 32 LEU N N 32 122.865 122.865 124.363 -1.498 17588 3100 1 6 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.557 -0.238 17588 3101 1 6 . 1 1 32 32 LEU C C 32 177.036 177.036 175.849 1.187 17588 3102 1 6 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.144 1.089 17588 3103 1 6 . 1 1 32 32 LEU CB C 32 42.264 42.264 43.294 -1.030 17588 3104 1 6 . 1 1 32 32 LEU H H 32 8.203 8.203 8.408 -0.205 17588 3105 1 6 . 1 1 33 33 LEU N N 33 123.054 123.054 121.899 1.155 17588 3106 1 6 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.715 -0.379 17588 3107 1 6 . 1 1 33 33 LEU C C 33 177.022 177.022 175.746 1.276 17588 3108 1 6 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.834 0.235 17588 3109 1 6 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.447 -0.159 17588 3110 1 6 . 1 1 33 33 LEU H H 33 8.150 8.150 8.356 -0.206 17588 3111 1 6 . 1 1 34 34 ARG N N 34 122.226 122.226 126.151 -3.925 17588 3112 1 6 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.670 -0.333 17588 3113 1 6 . 1 1 34 34 ARG C C 34 175.950 175.950 175.585 0.365 17588 3114 1 6 . 1 1 34 34 ARG CA C 34 55.918 55.918 54.740 1.178 17588 3115 1 6 . 1 1 34 34 ARG CB C 34 30.781 30.781 31.585 -0.804 17588 3116 1 6 . 1 1 34 34 ARG H H 34 8.248 8.248 8.676 -0.428 17588 3117 1 6 . 1 1 35 35 VAL N N 35 121.294 121.294 124.968 -3.674 17588 3118 1 6 . 1 1 35 35 VAL HA H 35 4.041 4.041 3.641 0.400 17588 3119 1 6 . 1 1 35 35 VAL C C 35 175.709 175.709 175.455 0.254 17588 3120 1 6 . 1 1 35 35 VAL CA C 35 62.240 62.240 63.267 -1.028 17588 3121 1 6 . 1 1 35 35 VAL CB C 35 32.753 32.753 29.992 2.761 17588 3122 1 6 . 1 1 35 35 VAL H H 35 8.107 8.107 8.991 -0.884 17588 3123 1 6 . 1 1 36 36 HIS N N 36 123.522 123.522 115.547 7.975 17588 3124 1 6 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.213 0.385 17588 3125 1 6 . 1 1 36 36 HIS C C 36 174.825 174.825 174.689 0.136 17588 3126 1 6 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.162 -0.051 17588 3127 1 6 . 1 1 36 36 HIS CB C 36 30.944 30.944 28.309 2.635 17588 3128 1 6 . 1 1 36 36 HIS H H 36 8.410 8.410 8.498 -0.088 17588 3129 1 6 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.359 0.241 17588 3130 1 6 . 1 1 37 37 HIS C C 37 175.173 175.173 175.331 -0.158 17588 3131 1 6 . 1 1 37 37 HIS CA C 37 56.217 56.217 56.265 -0.048 17588 3132 1 6 . 1 1 37 37 HIS CB C 37 31.027 31.027 29.711 1.316 17588 3133 1 6 . 1 1 38 38 GLU N N 38 122.826 122.826 124.571 -1.745 17588 3134 1 6 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.095 0.160 17588 3135 1 6 . 1 1 38 38 GLU C C 38 176.483 176.483 176.873 -0.390 17588 3136 1 6 . 1 1 38 38 GLU CA C 38 56.919 56.919 55.836 1.083 17588 3137 1 6 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.487 -0.159 17588 3138 1 6 . 1 1 38 38 GLU H H 38 8.569 8.569 8.563 0.006 17588 3139 1 6 . 1 1 39 39 SER N N 39 116.398 116.398 120.576 -4.178 17588 3140 1 6 . 1 1 39 39 SER HA H 39 4.454 4.454 4.414 0.040 17588 3141 1 6 . 1 1 39 39 SER C C 39 174.497 174.497 173.877 0.620 17588 3142 1 6 . 1 1 39 39 SER CA C 39 58.552 58.552 57.842 0.710 17588 3143 1 6 . 1 1 39 39 SER CB C 39 64.028 64.028 62.565 1.463 17588 3144 1 6 . 1 1 39 39 SER H H 39 8.444 8.444 8.375 0.069 17588 3145 1 6 . 1 1 40 40 ASP N N 40 122.831 122.831 128.556 -5.725 17588 3146 1 6 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.804 -0.132 17588 3147 1 6 . 1 1 40 40 ASP C C 40 176.783 176.783 175.474 1.309 17588 3148 1 6 . 1 1 40 40 ASP CA C 40 54.759 54.759 53.967 0.792 17588 3149 1 6 . 1 1 40 40 ASP CB C 40 41.014 41.014 40.790 0.224 17588 3150 1 6 . 1 1 40 40 ASP H H 40 8.469 8.469 8.275 0.194 17588 3151 1 6 . 1 1 41 41 THR N N 41 113.679 113.679 115.736 -2.057 17588 3152 1 6 . 1 1 41 41 THR HA H 41 4.181 4.181 4.517 -0.336 17588 3153 1 6 . 1 1 41 41 THR C C 41 175.314 175.314 175.299 0.015 17588 3154 1 6 . 1 1 41 41 THR CA C 41 62.819 62.819 61.687 1.132 17588 3155 1 6 . 1 1 41 41 THR CB C 41 69.576 69.576 70.774 -1.198 17588 3156 1 6 . 1 1 41 41 THR H H 41 8.066 8.066 8.108 -0.042 17588 3157 1 6 . 1 1 42 42 GLU N N 42 122.776 122.776 125.827 -3.051 17588 3158 1 6 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.265 -0.057 17588 3159 1 6 . 1 1 42 42 GLU C C 42 177.129 177.129 175.778 1.351 17588 3160 1 6 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.538 0.783 17588 3161 1 6 . 1 1 42 42 GLU CB C 42 30.000 30.000 28.915 1.085 17588 3162 1 6 . 1 1 42 42 GLU H H 42 8.343 8.343 8.743 -0.400 17588 3163 1 6 . 1 1 43 43 GLU N N 43 121.898 121.898 120.633 1.265 17588 3164 1 6 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.469 -0.258 17588 3165 1 6 . 1 1 43 43 GLU C C 43 177.313 177.313 176.651 0.662 17588 3166 1 6 . 1 1 43 43 GLU CA C 43 57.453 57.453 57.509 -0.056 17588 3167 1 6 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.963 -0.004 17588 3168 1 6 . 1 1 43 43 GLU H H 43 8.397 8.397 8.206 0.191 17588 3169 1 6 . 1 1 44 44 ARG N N 44 121.336 121.336 121.204 0.132 17588 3170 1 6 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.197 0.029 17588 3171 1 6 . 1 1 44 44 ARG C C 44 178.048 178.048 178.032 0.016 17588 3172 1 6 . 1 1 44 44 ARG CA C 44 57.779 57.779 57.128 0.651 17588 3173 1 6 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.199 1.167 17588 3174 1 6 . 1 1 44 44 ARG H H 44 8.401 8.401 7.978 0.423 17588 3175 1 6 . 1 1 45 45 GLY N N 45 109.098 109.098 115.401 -6.303 17588 3176 1 6 . 1 1 45 45 GLY C C 45 175.522 175.522 175.152 0.370 17588 3177 1 6 . 1 1 45 45 GLY CA C 45 46.400 46.400 46.416 -0.016 17588 3178 1 6 . 1 1 45 45 GLY H H 45 8.536 8.536 9.129 -0.593 17588 3179 1 6 . 1 1 46 46 PHE N N 46 121.592 121.592 123.644 -2.052 17588 3180 1 6 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.308 0.109 17588 3181 1 6 . 1 1 46 46 PHE C C 46 177.561 177.561 176.158 1.403 17588 3182 1 6 . 1 1 46 46 PHE CA C 46 60.080 60.080 60.594 -0.514 17588 3183 1 6 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.139 -0.228 17588 3184 1 6 . 1 1 46 46 PHE H H 46 8.071 8.071 7.977 0.094 17588 3185 1 6 . 1 1 47 47 LEU N N 47 121.344 121.344 118.045 3.299 17588 3186 1 6 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.357 0.685 17588 3187 1 6 . 1 1 47 47 LEU C C 47 179.621 179.621 178.612 1.009 17588 3188 1 6 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.244 0.216 17588 3189 1 6 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.469 0.168 17588 3190 1 6 . 1 1 47 47 LEU H H 47 8.215 8.215 8.001 0.214 17588 3191 1 6 . 1 1 48 48 GLU N N 48 121.986 121.986 119.186 2.800 17588 3192 1 6 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.716 0.272 17588 3193 1 6 . 1 1 48 48 GLU C C 48 177.573 177.573 178.040 -0.467 17588 3194 1 6 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.568 -0.261 17588 3195 1 6 . 1 1 48 48 GLU CB C 48 29.648 29.648 28.613 1.035 17588 3196 1 6 . 1 1 48 48 GLU H H 48 8.225 8.225 8.157 0.068 17588 3197 1 6 . 1 1 49 49 LYS N N 49 118.759 118.759 119.164 -0.405 17588 3198 1 6 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.289 -0.046 17588 3199 1 6 . 1 1 49 49 LYS C C 49 177.659 177.659 178.422 -0.763 17588 3200 1 6 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.355 0.531 17588 3201 1 6 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.169 0.133 17588 3202 1 6 . 1 1 49 49 LYS H H 49 7.790 7.790 7.322 0.468 17588 3203 1 6 . 1 1 50 50 ALA N N 50 120.023 120.023 120.752 -0.729 17588 3204 1 6 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.938 0.021 17588 3205 1 6 . 1 1 50 50 ALA C C 50 180.486 180.486 179.291 1.195 17588 3206 1 6 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.771 0.111 17588 3207 1 6 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.838 0.039 17588 3208 1 6 . 1 1 50 50 ALA H H 50 7.798 7.798 7.124 0.674 17588 3209 1 6 . 1 1 51 51 ALA N N 51 121.955 121.955 121.647 0.308 17588 3210 1 6 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.893 0.220 17588 3211 1 6 . 1 1 51 51 ALA C C 51 180.762 180.762 179.487 1.275 17588 3212 1 6 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.106 0.005 17588 3213 1 6 . 1 1 51 51 ALA CB C 51 18.041 18.041 17.984 0.057 17588 3214 1 6 . 1 1 51 51 ALA H H 51 7.809 7.809 7.870 -0.061 17588 3215 1 6 . 1 1 52 52 VAL N N 52 120.415 120.415 117.992 2.423 17588 3216 1 6 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.595 0.055 17588 3217 1 6 . 1 1 52 52 VAL C C 52 178.567 178.567 178.387 0.180 17588 3218 1 6 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.869 0.358 17588 3219 1 6 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.681 0.429 17588 3220 1 6 . 1 1 52 52 VAL H H 52 7.944 7.944 8.008 -0.064 17588 3221 1 6 . 1 1 53 53 LYS N N 53 119.231 119.231 119.235 -0.004 17588 3222 1 6 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.663 -0.099 17588 3223 1 6 . 1 1 53 53 LYS C C 53 178.546 178.546 179.063 -0.517 17588 3224 1 6 . 1 1 53 53 LYS CA C 53 60.720 60.720 58.910 1.810 17588 3225 1 6 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.575 0.676 17588 3226 1 6 . 1 1 53 53 LYS H H 53 8.132 8.132 7.746 0.386 17588 3227 1 6 . 1 1 54 54 LYS N N 54 119.514 119.514 119.464 0.050 17588 3228 1 6 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.991 0.002 17588 3229 1 6 . 1 1 54 54 LYS C C 54 179.987 179.987 179.168 0.819 17588 3230 1 6 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.073 1.164 17588 3231 1 6 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.003 0.480 17588 3232 1 6 . 1 1 54 54 LYS H H 54 7.956 7.956 8.201 -0.245 17588 3233 1 6 . 1 1 55 55 MET N N 55 119.732 119.732 117.392 2.340 17588 3234 1 6 . 1 1 55 55 MET HA H 55 4.251 4.251 4.057 0.194 17588 3235 1 6 . 1 1 55 55 MET C C 55 177.536 177.536 178.530 -0.994 17588 3236 1 6 . 1 1 55 55 MET CA C 55 58.396 58.396 58.124 0.272 17588 3237 1 6 . 1 1 55 55 MET CB C 55 34.228 34.228 31.718 2.510 17588 3238 1 6 . 1 1 55 55 MET H H 55 7.816 7.816 8.225 -0.409 17588 3239 1 6 . 1 1 56 56 ALA N N 56 122.295 122.295 122.204 0.091 17588 3240 1 6 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.110 0.042 17588 3241 1 6 . 1 1 56 56 ALA C C 56 179.615 179.615 179.577 0.038 17588 3242 1 6 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.556 -0.218 17588 3243 1 6 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.079 1.027 17588 3244 1 6 . 1 1 56 56 ALA H H 56 8.724 8.724 8.350 0.374 17588 3245 1 6 . 1 1 57 57 LYS N N 57 117.704 117.704 119.259 -1.555 17588 3246 1 6 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.073 0.011 17588 3247 1 6 . 1 1 57 57 LYS C C 57 179.358 179.358 178.879 0.479 17588 3248 1 6 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.727 0.247 17588 3249 1 6 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.313 0.188 17588 3250 1 6 . 1 1 57 57 LYS H H 57 8.444 8.444 7.930 0.514 17588 3251 1 6 . 1 1 58 58 ALA N N 58 122.736 122.736 120.669 2.067 17588 3252 1 6 . 1 1 58 58 ALA HA H 58 4.171 4.171 3.945 0.226 17588 3253 1 6 . 1 1 58 58 ALA C C 58 180.708 180.708 179.348 1.360 17588 3254 1 6 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.242 -0.131 17588 3255 1 6 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.220 -0.672 17588 3256 1 6 . 1 1 58 58 ALA H H 58 7.701 7.701 7.621 0.080 17588 3257 1 6 . 1 1 59 59 ILE N N 59 117.672 117.672 118.180 -0.508 17588 3258 1 6 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.884 -0.211 17588 3259 1 6 . 1 1 59 59 ILE C C 59 177.728 177.728 178.184 -0.456 17588 3260 1 6 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.464 -0.486 17588 3261 1 6 . 1 1 59 59 ILE CB C 59 37.813 37.813 38.024 -0.211 17588 3262 1 6 . 1 1 59 59 ILE H H 59 7.547 7.547 7.179 0.368 17588 3263 1 6 . 1 1 60 60 MET N N 60 117.653 117.653 117.014 0.639 17588 3264 1 6 . 1 1 60 60 MET HA H 60 4.098 4.098 3.965 0.133 17588 3265 1 6 . 1 1 60 60 MET C C 60 178.085 178.085 178.332 -0.247 17588 3266 1 6 . 1 1 60 60 MET CA C 60 58.060 58.060 58.324 -0.264 17588 3267 1 6 . 1 1 60 60 MET CB C 60 32.178 32.178 32.392 -0.214 17588 3268 1 6 . 1 1 60 60 MET H H 60 7.718 7.718 7.827 -0.109 17588 3269 1 6 . 1 1 61 61 ALA N N 61 118.874 118.874 121.368 -2.494 17588 3270 1 6 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.256 0.018 17588 3271 1 6 . 1 1 61 61 ALA C C 61 177.758 177.758 177.795 -0.037 17588 3272 1 6 . 1 1 61 61 ALA CA C 61 53.442 53.442 53.436 0.006 17588 3273 1 6 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.603 -0.535 17588 3274 1 6 . 1 1 61 61 ALA H H 61 7.513 7.513 7.698 -0.185 17588 3275 1 6 . 1 1 62 62 ASP N N 62 115.735 115.735 117.133 -1.398 17588 3276 1 6 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.054 -0.121 17588 3277 1 6 . 1 1 62 62 ASP C C 62 172.960 172.960 174.363 -1.403 17588 3278 1 6 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.450 -0.326 17588 3279 1 6 . 1 1 62 62 ASP CB C 62 41.384 41.384 42.307 -0.923 17588 3280 1 6 . 1 1 62 62 ASP H H 62 7.615 7.615 7.798 -0.183 17588 3281 1 6 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.310 0.136 17588 3282 1 6 . 1 1 63 63 PRO C C 63 179.157 179.157 177.697 1.460 17588 3283 1 6 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.481 -0.082 17588 3284 1 6 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.511 -0.251 17588 3285 1 6 . 1 1 64 64 ASN N N 64 115.566 115.566 116.480 -0.914 17588 3286 1 6 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.346 0.206 17588 3287 1 6 . 1 1 64 64 ASN C C 64 176.867 176.867 177.348 -0.481 17588 3288 1 6 . 1 1 64 64 ASN CA C 64 55.321 55.321 56.538 -1.217 17588 3289 1 6 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.861 0.040 17588 3290 1 6 . 1 1 64 64 ASN H H 64 8.094 8.094 8.488 -0.394 17588 3291 1 6 . 1 1 65 65 LYS N N 65 118.691 118.691 119.719 -1.028 17588 3292 1 6 . 1 1 65 65 LYS HA H 65 4.178 4.178 3.923 0.255 17588 3293 1 6 . 1 1 65 65 LYS C C 65 175.844 175.844 178.054 -2.210 17588 3294 1 6 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.542 -2.308 17588 3295 1 6 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.921 0.956 17588 3296 1 6 . 1 1 65 65 LYS H H 65 8.185 8.185 7.627 0.558 17588 3297 1 6 . 1 1 66 66 ALA N N 66 120.147 120.147 121.721 -1.574 17588 3298 1 6 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.286 -0.244 17588 3299 1 6 . 1 1 66 66 ALA C C 66 176.697 176.697 178.859 -2.162 17588 3300 1 6 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.407 0.405 17588 3301 1 6 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.560 0.674 17588 3302 1 6 . 1 1 66 66 ALA H H 66 7.233 7.233 7.714 -0.481 17588 3303 1 6 . 1 1 67 67 ASP N N 67 114.524 114.524 119.201 -4.677 17588 3304 1 6 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.385 -0.212 17588 3305 1 6 . 1 1 67 67 ASP C C 67 178.071 178.071 178.983 -0.912 17588 3306 1 6 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.292 1.076 17588 3307 1 6 . 1 1 67 67 ASP CB C 67 40.644 40.644 39.847 0.797 17588 3308 1 6 . 1 1 67 67 ASP H H 67 8.114 8.114 8.168 -0.054 17588 3309 1 6 . 1 1 68 68 GLU N N 68 117.486 117.486 119.433 -1.947 17588 3310 1 6 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.959 -0.066 17588 3311 1 6 . 1 1 68 68 GLU C C 68 178.885 178.885 179.056 -0.171 17588 3312 1 6 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.935 -0.190 17588 3313 1 6 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.392 0.269 17588 3314 1 6 . 1 1 68 68 GLU H H 68 7.846 7.846 7.379 0.467 17588 3315 1 6 . 1 1 69 69 VAL N N 69 120.957 120.957 120.178 0.779 17588 3316 1 6 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.102 -0.056 17588 3317 1 6 . 1 1 69 69 VAL C C 69 176.618 176.618 177.969 -1.351 17588 3318 1 6 . 1 1 69 69 VAL CA C 69 66.453 66.453 66.749 -0.296 17588 3319 1 6 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.531 0.508 17588 3320 1 6 . 1 1 69 69 VAL H H 69 7.325 7.325 8.235 -0.910 17588 3321 1 6 . 1 1 70 70 TYR N N 70 117.638 117.638 117.999 -0.361 17588 3322 1 6 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.171 0.004 17588 3323 1 6 . 1 1 70 70 TYR C C 70 178.493 178.493 178.281 0.212 17588 3324 1 6 . 1 1 70 70 TYR CA C 70 57.481 57.481 61.314 -3.833 17588 3325 1 6 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.694 -2.831 17588 3326 1 6 . 1 1 70 70 TYR H H 70 8.483 8.483 8.102 0.381 17588 3327 1 6 . 1 1 71 71 LYS N N 71 117.283 117.283 117.942 -0.659 17588 3328 1 6 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.160 0.054 17588 3329 1 6 . 1 1 71 71 LYS C C 71 178.790 178.790 179.268 -0.478 17588 3330 1 6 . 1 1 71 71 LYS CA C 71 59.793 59.793 58.852 0.941 17588 3331 1 6 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.166 0.341 17588 3332 1 6 . 1 1 71 71 LYS H H 71 7.754 7.754 7.511 0.243 17588 3333 1 6 . 1 1 72 72 LYS N N 72 120.053 120.053 120.680 -0.627 17588 3334 1 6 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.929 0.212 17588 3335 1 6 . 1 1 72 72 LYS C C 72 180.399 180.399 179.046 1.353 17588 3336 1 6 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.687 0.041 17588 3337 1 6 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.227 -0.213 17588 3338 1 6 . 1 1 72 72 LYS H H 72 7.386 7.386 8.048 -0.662 17588 3339 1 6 . 1 1 73 73 TRP N N 73 121.910 121.910 119.884 2.026 17588 3340 1 6 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.471 0.042 17588 3341 1 6 . 1 1 73 73 TRP C C 73 177.981 177.981 178.779 -0.798 17588 3342 1 6 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.954 -2.039 17588 3343 1 6 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.606 0.956 17588 3344 1 6 . 1 1 73 73 TRP H H 73 8.659 8.659 8.399 0.260 17588 3345 1 6 . 1 1 74 74 ALA N N 74 123.471 123.471 121.029 2.442 17588 3346 1 6 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.256 0.236 17588 3347 1 6 . 1 1 74 74 ALA C C 74 182.881 182.881 179.986 2.895 17588 3348 1 6 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.038 0.311 17588 3349 1 6 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.610 -0.218 17588 3350 1 6 . 1 1 74 74 ALA H H 74 9.137 9.137 8.070 1.067 17588 3351 1 6 . 1 1 75 75 ASP N N 75 121.896 121.896 117.980 3.916 17588 3352 1 6 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.456 0.008 17588 3353 1 6 . 1 1 75 75 ASP C C 75 178.714 178.714 178.746 -0.032 17588 3354 1 6 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.657 0.437 17588 3355 1 6 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.721 -0.136 17588 3356 1 6 . 1 1 75 75 ASP H H 75 8.804 8.804 8.026 0.778 17588 3357 1 6 . 1 1 76 76 LYS N N 76 118.966 118.966 117.412 1.554 17588 3358 1 6 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.063 -0.034 17588 3359 1 6 . 1 1 76 76 LYS C C 76 176.868 176.868 177.695 -0.827 17588 3360 1 6 . 1 1 76 76 LYS CA C 76 56.497 56.497 57.056 -0.559 17588 3361 1 6 . 1 1 76 76 LYS CB C 76 31.685 31.685 33.134 -1.449 17588 3362 1 6 . 1 1 76 76 LYS H H 76 7.630 7.630 8.452 -0.822 17588 3363 1 6 . 1 1 77 77 GLY N N 77 107.310 107.310 105.252 2.058 17588 3364 1 6 . 1 1 77 77 GLY C C 77 175.407 175.407 173.754 1.653 17588 3365 1 6 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.687 0.502 17588 3366 1 6 . 1 1 77 77 GLY H H 77 7.901 7.901 7.615 0.286 17588 3367 1 6 . 1 1 78 78 TYR N N 78 117.917 117.917 119.283 -1.366 17588 3368 1 6 . 1 1 78 78 TYR HA H 78 5.292 5.292 5.048 0.244 17588 3369 1 6 . 1 1 78 78 TYR C C 78 178.422 178.422 176.001 2.421 17588 3370 1 6 . 1 1 78 78 TYR CA C 78 55.545 55.545 55.770 -0.226 17588 3371 1 6 . 1 1 78 78 TYR CB C 78 36.781 36.781 41.457 -4.676 17588 3372 1 6 . 1 1 78 78 TYR H H 78 7.506 7.506 7.535 -0.029 17588 3373 1 6 . 1 1 79 79 THR N N 79 119.420 119.420 111.743 7.677 17588 3374 1 6 . 1 1 79 79 THR HA H 79 4.518 4.518 4.839 -0.321 17588 3375 1 6 . 1 1 79 79 THR C C 79 175.648 175.648 175.409 0.239 17588 3376 1 6 . 1 1 79 79 THR CA C 79 60.027 60.027 60.719 -0.692 17588 3377 1 6 . 1 1 79 79 THR CB C 79 71.622 71.622 71.727 -0.105 17588 3378 1 6 . 1 1 79 79 THR H H 79 8.957 8.957 8.270 0.687 17588 3379 1 6 . 1 1 80 80 LEU N N 80 119.655 119.655 121.756 -2.101 17588 3380 1 6 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.284 -0.104 17588 3381 1 6 . 1 1 80 80 LEU C C 80 180.085 180.085 178.811 1.274 17588 3382 1 6 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.911 0.002 17588 3383 1 6 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.041 -1.388 17588 3384 1 6 . 1 1 80 80 LEU H H 80 9.005 9.005 8.714 0.291 17588 3385 1 6 . 1 1 81 81 THR N N 81 115.259 115.259 114.245 1.014 17588 3386 1 6 . 1 1 81 81 THR HA H 81 3.939 3.939 3.867 0.072 17588 3387 1 6 . 1 1 81 81 THR C C 81 177.000 177.000 176.857 0.143 17588 3388 1 6 . 1 1 81 81 THR CA C 81 66.349 66.349 66.749 -0.400 17588 3389 1 6 . 1 1 81 81 THR CB C 81 68.591 68.591 68.383 0.208 17588 3390 1 6 . 1 1 81 81 THR H H 81 8.135 8.135 8.243 -0.108 17588 3391 1 6 . 1 1 82 82 GLN N N 82 121.304 121.304 119.888 1.416 17588 3392 1 6 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.611 0.042 17588 3393 1 6 . 1 1 82 82 GLN C C 82 178.354 178.354 177.859 0.495 17588 3394 1 6 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.030 0.610 17588 3395 1 6 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.464 0.450 17588 3396 1 6 . 1 1 82 82 GLN H H 82 7.641 7.641 7.476 0.165 17588 3397 1 6 . 1 1 83 83 MET N N 83 117.464 117.464 120.310 -2.846 17588 3398 1 6 . 1 1 83 83 MET HA H 83 4.425 4.425 3.900 0.525 17588 3399 1 6 . 1 1 83 83 MET C C 83 177.906 177.906 177.868 0.038 17588 3400 1 6 . 1 1 83 83 MET CA C 83 55.462 55.462 58.167 -2.705 17588 3401 1 6 . 1 1 83 83 MET CB C 83 29.014 29.014 32.253 -3.239 17588 3402 1 6 . 1 1 83 83 MET H H 83 8.665 8.665 8.540 0.125 17588 3403 1 6 . 1 1 84 84 SER N N 84 114.879 114.879 114.863 0.016 17588 3404 1 6 . 1 1 84 84 SER HA H 84 3.689 3.689 3.549 0.140 17588 3405 1 6 . 1 1 84 84 SER C C 84 176.666 176.666 176.414 0.252 17588 3406 1 6 . 1 1 84 84 SER CA C 84 61.347 61.347 61.627 -0.280 17588 3407 1 6 . 1 1 84 84 SER CB C 84 62.356 62.356 61.839 0.517 17588 3408 1 6 . 1 1 84 84 SER H H 84 8.607 8.607 8.580 0.027 17588 3409 1 6 . 1 1 85 85 ASN N N 85 117.904 117.904 120.606 -2.702 17588 3410 1 6 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.303 0.112 17588 3411 1 6 . 1 1 85 85 ASN C C 85 177.997 177.997 176.851 1.146 17588 3412 1 6 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.488 0.465 17588 3413 1 6 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.619 0.641 17588 3414 1 6 . 1 1 85 85 ASN H H 85 7.204 7.204 7.187 0.017 17588 3415 1 6 . 1 1 86 86 PHE N N 86 118.316 118.316 117.873 0.443 17588 3416 1 6 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.080 0.348 17588 3417 1 6 . 1 1 86 86 PHE C C 86 177.478 177.478 177.068 0.410 17588 3418 1 6 . 1 1 86 86 PHE CA C 86 58.394 58.394 60.157 -1.763 17588 3419 1 6 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.311 0.524 17588 3420 1 6 . 1 1 86 86 PHE H H 86 8.367 8.367 7.543 0.824 17588 3421 1 6 . 1 1 87 87 LEU N N 87 112.533 112.533 116.739 -4.206 17588 3422 1 6 . 1 1 87 87 LEU HA H 87 4.100 4.100 3.701 0.399 17588 3423 1 6 . 1 1 87 87 LEU C C 87 176.474 176.474 177.884 -1.410 17588 3424 1 6 . 1 1 87 87 LEU CA C 87 54.549 54.549 56.523 -1.974 17588 3425 1 6 . 1 1 87 87 LEU CB C 87 41.371 41.371 41.795 -0.425 17588 3426 1 6 . 1 1 87 87 LEU H H 87 7.778 7.778 7.963 -0.185 17588 3427 1 6 . 1 1 88 88 LYS N N 88 119.798 119.798 119.820 -0.022 17588 3428 1 6 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.098 0.150 17588 3429 1 6 . 1 1 88 88 LYS C C 88 176.594 176.594 177.078 -0.484 17588 3430 1 6 . 1 1 88 88 LYS CA C 88 57.674 57.674 56.996 0.678 17588 3431 1 6 . 1 1 88 88 LYS CB C 88 32.671 32.671 32.172 0.499 17588 3432 1 6 . 1 1 88 88 LYS H H 88 7.328 7.328 7.555 -0.227 17588 3433 1 6 . 1 1 89 89 SER N N 89 117.937 117.937 122.034 -4.097 17588 3434 1 6 . 1 1 89 89 SER HA H 89 4.785 4.785 4.496 0.289 17588 3435 1 6 . 1 1 89 89 SER CA C 89 57.375 57.375 57.635 -0.260 17588 3436 1 6 . 1 1 89 89 SER CB C 89 64.838 64.838 62.632 2.206 17588 3437 1 6 . 1 1 89 89 SER H H 89 8.197 8.197 8.353 -0.156 17588 3438 1 6 . 1 1 90 90 LYS HA H 90 4.154 4.154 4.026 0.128 17588 3439 1 6 . 1 1 90 90 LYS C C 90 177.472 177.472 175.146 2.326 17588 3440 1 6 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.361 1.033 17588 3441 1 6 . 1 1 90 90 LYS CB C 90 31.767 31.767 31.413 0.354 17588 3442 1 6 . 1 1 90 90 LYS H H 90 7.981 7.981 7.497 0.484 17588 3443 1 6 . 1 1 91 91 THR N N 91 113.435 113.435 113.058 0.377 17588 3444 1 6 . 1 1 91 91 THR HA H 91 4.342 4.342 4.568 -0.226 17588 3445 1 6 . 1 1 91 91 THR C C 91 174.236 174.236 174.590 -0.354 17588 3446 1 6 . 1 1 91 91 THR CA C 91 61.203 61.203 61.102 0.101 17588 3447 1 6 . 1 1 91 91 THR CB C 91 69.254 69.254 70.799 -1.545 17588 3448 1 6 . 1 1 91 91 THR H H 91 7.942 7.942 7.503 0.439 17588 3449 1 6 . 1 1 92 92 ALA N N 92 129.685 129.685 126.636 3.049 17588 3450 1 6 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.099 0.079 17588 3451 1 6 . 1 1 92 92 ALA C C 92 178.710 178.710 177.895 0.815 17588 3452 1 6 . 1 1 92 92 ALA CA C 92 53.583 53.583 54.046 -0.463 17588 3453 1 6 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.993 -0.912 17588 3454 1 6 . 1 1 92 92 ALA H H 92 8.603 8.603 8.617 -0.014 17588 3455 1 6 . 1 1 93 93 GLY N N 93 109.919 109.919 104.797 5.122 17588 3456 1 6 . 1 1 93 93 GLY C C 93 176.310 176.310 173.771 2.539 17588 3457 1 6 . 1 1 93 93 GLY CA C 93 45.505 45.505 44.917 0.588 17588 3458 1 6 . 1 1 93 93 GLY H H 93 8.823 8.823 7.715 1.109 17588 3459 1 6 . 1 1 94 94 LYS N N 94 120.949 120.949 123.600 -2.651 17588 3460 1 6 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.261 -0.469 17588 3461 1 6 . 1 1 94 94 LYS C C 94 177.630 177.630 176.662 0.968 17588 3462 1 6 . 1 1 94 94 LYS CA C 94 59.606 59.606 57.504 2.102 17588 3463 1 6 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.322 -0.076 17588 3464 1 6 . 1 1 94 94 LYS H H 94 7.501 7.501 8.465 -0.964 17588 3465 1 6 . 1 1 95 95 TYR N N 95 113.034 113.034 117.643 -4.609 17588 3466 1 6 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.846 0.201 17588 3467 1 6 . 1 1 95 95 TYR C C 95 176.649 176.649 176.031 0.618 17588 3468 1 6 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.672 0.264 17588 3469 1 6 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.184 1.816 17588 3470 1 6 . 1 1 95 95 TYR H H 95 8.670 8.670 8.518 0.152 17588 3471 1 6 . 1 1 96 96 ASP N N 96 123.097 123.097 121.409 1.688 17588 3472 1 6 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.580 -0.251 17588 3473 1 6 . 1 1 96 96 ASP C C 96 178.087 178.087 178.287 -0.200 17588 3474 1 6 . 1 1 96 96 ASP CA C 96 58.619 58.619 58.027 0.592 17588 3475 1 6 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.979 -1.409 17588 3476 1 6 . 1 1 96 96 ASP H H 96 7.756 7.756 8.552 -0.796 17588 3477 1 6 . 1 1 97 97 ARG N N 97 118.384 118.384 118.767 -0.383 17588 3478 1 6 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.159 0.103 17588 3479 1 6 . 1 1 97 97 ARG C C 97 179.927 179.927 178.553 1.374 17588 3480 1 6 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.368 0.378 17588 3481 1 6 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.959 -0.165 17588 3482 1 6 . 1 1 97 97 ARG H H 97 8.897 8.897 8.566 0.331 17588 3483 1 6 . 1 1 98 98 VAL N N 98 119.642 119.642 119.211 0.431 17588 3484 1 6 . 1 1 98 98 VAL HA H 98 3.938 3.938 3.975 -0.037 17588 3485 1 6 . 1 1 98 98 VAL C C 98 179.630 179.630 178.198 1.432 17588 3486 1 6 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.402 0.402 17588 3487 1 6 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.791 0.263 17588 3488 1 6 . 1 1 98 98 VAL H H 98 7.578 7.578 7.821 -0.243 17588 3489 1 6 . 1 1 99 99 TYR N N 99 122.432 122.432 120.684 1.748 17588 3490 1 6 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.024 -0.090 17588 3491 1 6 . 1 1 99 99 TYR C C 99 176.400 176.400 177.653 -1.253 17588 3492 1 6 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.793 1.113 17588 3493 1 6 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.216 0.106 17588 3494 1 6 . 1 1 99 99 TYR H H 99 8.635 8.635 7.961 0.674 17588 3495 1 6 . 1 1 100 100 ASN N N 100 117.211 117.211 117.029 0.182 17588 3496 1 6 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.162 0.124 17588 3497 1 6 . 1 1 100 100 ASN C C 100 178.488 178.488 178.041 0.447 17588 3498 1 6 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.536 -0.680 17588 3499 1 6 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.699 0.150 17588 3500 1 6 . 1 1 100 100 ASN H H 100 9.024 9.024 8.605 0.419 17588 3501 1 6 . 1 1 101 101 GLY N N 101 105.413 105.413 107.858 -2.445 17588 3502 1 6 . 1 1 101 101 GLY C C 101 175.833 175.833 175.792 0.041 17588 3503 1 6 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.108 -0.076 17588 3504 1 6 . 1 1 101 101 GLY H H 101 7.908 7.908 8.025 -0.117 17588 3505 1 6 . 1 1 102 102 TYR N N 102 126.373 126.373 123.913 2.460 17588 3506 1 6 . 1 1 102 102 TYR HA H 102 3.467 3.467 4.143 -0.676 17588 3507 1 6 . 1 1 102 102 TYR C C 102 176.016 176.016 177.882 -1.866 17588 3508 1 6 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.436 -0.883 17588 3509 1 6 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.498 -0.608 17588 3510 1 6 . 1 1 102 102 TYR H H 102 7.581 7.581 7.655 -0.074 17588 3511 1 6 . 1 1 103 103 VAL N N 103 117.870 117.870 118.813 -0.943 17588 3512 1 6 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.249 -0.107 17588 3513 1 6 . 1 1 103 103 VAL C C 103 178.786 178.786 178.132 0.654 17588 3514 1 6 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.838 -0.261 17588 3515 1 6 . 1 1 103 103 VAL CB C 103 31.747 31.747 31.230 0.516 17588 3516 1 6 . 1 1 103 103 VAL H H 103 7.510 7.510 7.879 -0.369 17588 3517 1 6 . 1 1 104 104 ILE N N 104 116.770 116.770 117.554 -0.784 17588 3518 1 6 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.570 0.122 17588 3519 1 6 . 1 1 104 104 ILE C C 104 178.703 178.703 177.867 0.836 17588 3520 1 6 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.954 -1.117 17588 3521 1 6 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.481 0.451 17588 3522 1 6 . 1 1 104 104 ILE H H 104 7.056 7.056 7.341 -0.285 17588 3523 1 6 . 1 1 105 105 HIS N N 105 121.324 121.324 118.949 2.375 17588 3524 1 6 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.137 -0.185 17588 3525 1 6 . 1 1 105 105 HIS C C 105 176.974 176.974 176.736 0.238 17588 3526 1 6 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.087 1.063 17588 3527 1 6 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.488 1.036 17588 3528 1 6 . 1 1 105 105 HIS H H 105 7.864 7.864 7.422 0.442 17588 3529 1 6 . 1 1 106 106 LEU N N 106 115.126 115.126 119.307 -4.181 17588 3530 1 6 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.201 -0.366 17588 3531 1 6 . 1 1 106 106 LEU C C 106 177.315 177.315 178.348 -1.033 17588 3532 1 6 . 1 1 106 106 LEU CA C 106 55.707 55.707 56.972 -1.265 17588 3533 1 6 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.538 0.503 17588 3534 1 6 . 1 1 106 106 LEU H H 106 7.517 7.517 8.167 -0.650 17588 3535 1 6 . 1 1 107 107 ASP N N 107 119.221 119.221 118.892 0.329 17588 3536 1 6 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.353 0.148 17588 3537 1 6 . 1 1 107 107 ASP C C 107 175.224 175.224 177.080 -1.856 17588 3538 1 6 . 1 1 107 107 ASP CA C 107 54.618 54.618 56.239 -1.621 17588 3539 1 6 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.818 -0.053 17588 3540 1 6 . 1 1 107 107 ASP H H 107 7.512 7.512 8.151 -0.639 17588 3541 1 7 . 1 1 6 6 SER HA H 6 4.480 4.480 4.744 -0.264 17588 3542 1 7 . 1 1 6 6 SER C C 6 174.995 174.995 174.318 0.677 17588 3543 1 7 . 1 1 6 6 SER CA C 6 58.675 58.675 57.878 0.797 17588 3544 1 7 . 1 1 6 6 SER CB C 6 63.822 63.822 63.186 0.636 17588 3545 1 7 . 1 1 7 7 GLY N N 7 110.458 110.458 112.610 -2.152 17588 3546 1 7 . 1 1 7 7 GLY C C 7 173.853 173.853 172.924 0.929 17588 3547 1 7 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.791 0.556 17588 3548 1 7 . 1 1 7 7 GLY H H 7 8.394 8.394 8.504 -0.110 17588 3549 1 7 . 1 1 8 8 ASN N N 8 119.020 119.020 117.612 1.408 17588 3550 1 7 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.838 -0.081 17588 3551 1 7 . 1 1 8 8 ASN C C 8 175.389 175.389 174.018 1.371 17588 3552 1 7 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.565 0.666 17588 3553 1 7 . 1 1 8 8 ASN CB C 8 38.959 38.959 41.097 -2.138 17588 3554 1 7 . 1 1 8 8 ASN H H 8 8.308 8.308 8.446 -0.138 17588 3555 1 7 . 1 1 9 9 VAL N N 9 120.281 120.281 121.125 -0.844 17588 3556 1 7 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.282 -0.167 17588 3557 1 7 . 1 1 9 9 VAL C C 9 175.980 175.980 175.290 0.690 17588 3558 1 7 . 1 1 9 9 VAL CA C 9 62.468 62.468 61.899 0.569 17588 3559 1 7 . 1 1 9 9 VAL CB C 9 32.712 32.712 34.182 -1.470 17588 3560 1 7 . 1 1 9 9 VAL H H 9 8.173 8.173 8.402 -0.229 17588 3561 1 7 . 1 1 10 10 ASP N N 10 123.840 123.840 125.143 -1.303 17588 3562 1 7 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.629 -0.005 17588 3563 1 7 . 1 1 10 10 ASP C C 10 176.599 176.599 175.001 1.598 17588 3564 1 7 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.915 0.475 17588 3565 1 7 . 1 1 10 10 ASP CB C 10 41.343 41.343 42.199 -0.856 17588 3566 1 7 . 1 1 10 10 ASP H H 10 8.418 8.418 8.656 -0.238 17588 3567 1 7 . 1 1 11 11 SER N N 11 117.003 117.003 114.096 2.907 17588 3568 1 7 . 1 1 11 11 SER HA H 11 4.395 4.395 4.914 -0.519 17588 3569 1 7 . 1 1 11 11 SER C C 11 174.834 174.834 173.039 1.795 17588 3570 1 7 . 1 1 11 11 SER CA C 11 58.886 58.886 57.358 1.528 17588 3571 1 7 . 1 1 11 11 SER CB C 11 63.740 63.740 65.807 -2.067 17588 3572 1 7 . 1 1 11 11 SER H H 11 8.312 8.312 8.400 -0.088 17588 3573 1 7 . 1 1 12 12 ASN N N 12 120.512 120.512 117.396 3.116 17588 3574 1 7 . 1 1 12 12 ASN HA H 12 4.685 4.685 5.024 -0.339 17588 3575 1 7 . 1 1 12 12 ASN C C 12 175.646 175.646 173.918 1.728 17588 3576 1 7 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.716 1.077 17588 3577 1 7 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.639 -1.009 17588 3578 1 7 . 1 1 12 12 ASN H H 12 8.511 8.511 8.410 0.101 17588 3579 1 7 . 1 1 13 13 GLN N N 13 120.057 120.057 118.552 1.505 17588 3580 1 7 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.829 -0.591 17588 3581 1 7 . 1 1 13 13 GLN C C 13 175.988 175.988 173.803 2.185 17588 3582 1 7 . 1 1 13 13 GLN CA C 13 56.447 56.447 54.925 1.522 17588 3583 1 7 . 1 1 13 13 GLN CB C 13 29.137 29.137 31.536 -2.399 17588 3584 1 7 . 1 1 13 13 GLN H H 13 8.258 8.258 8.688 -0.430 17588 3585 1 7 . 1 1 14 14 ASN N N 14 119.323 119.323 118.401 0.922 17588 3586 1 7 . 1 1 14 14 ASN HA H 14 4.685 4.685 5.199 -0.514 17588 3587 1 7 . 1 1 14 14 ASN C C 14 175.552 175.552 173.229 2.323 17588 3588 1 7 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.763 0.802 17588 3589 1 7 . 1 1 14 14 ASN CB C 14 38.763 38.763 40.793 -2.030 17588 3590 1 7 . 1 1 14 14 ASN H H 14 8.377 8.377 8.935 -0.558 17588 3591 1 7 . 1 1 15 15 LYS N N 15 121.938 121.938 120.372 1.566 17588 3592 1 7 . 1 1 15 15 LYS HA H 15 4.214 4.214 5.068 -0.854 17588 3593 1 7 . 1 1 15 15 LYS C C 15 176.933 176.933 174.920 2.013 17588 3594 1 7 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.456 1.780 17588 3595 1 7 . 1 1 15 15 LYS CB C 15 32.753 32.753 35.217 -2.464 17588 3596 1 7 . 1 1 15 15 LYS H H 15 8.224 8.224 8.564 -0.340 17588 3597 1 7 . 1 1 16 16 ALA N N 16 123.956 123.956 123.208 0.748 17588 3598 1 7 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.431 -0.157 17588 3599 1 7 . 1 1 16 16 ALA C C 16 178.593 178.593 177.373 1.220 17588 3600 1 7 . 1 1 16 16 ALA CA C 16 53.442 53.442 52.477 0.965 17588 3601 1 7 . 1 1 16 16 ALA CB C 16 18.863 18.863 19.135 -0.272 17588 3602 1 7 . 1 1 16 16 ALA H H 16 8.292 8.292 8.087 0.205 17588 3603 1 7 . 1 1 17 17 SER N N 17 114.462 114.462 114.695 -0.233 17588 3604 1 7 . 1 1 17 17 SER HA H 17 4.365 4.365 4.381 -0.016 17588 3605 1 7 . 1 1 17 17 SER C C 17 175.370 175.370 174.419 0.951 17588 3606 1 7 . 1 1 17 17 SER CA C 17 59.077 59.077 58.352 0.725 17588 3607 1 7 . 1 1 17 17 SER CB C 17 63.383 63.383 62.646 0.737 17588 3608 1 7 . 1 1 17 17 SER H H 17 8.200 8.200 8.131 0.069 17588 3609 1 7 . 1 1 18 18 MET N N 18 121.999 121.999 120.073 1.926 17588 3610 1 7 . 1 1 18 18 MET HA H 18 4.429 4.429 4.269 0.160 17588 3611 1 7 . 1 1 18 18 MET C C 18 176.829 176.829 174.856 1.973 17588 3612 1 7 . 1 1 18 18 MET CA C 18 56.357 56.357 56.432 -0.075 17588 3613 1 7 . 1 1 18 18 MET CB C 18 32.630 32.630 32.938 -0.307 17588 3614 1 7 . 1 1 18 18 MET H H 18 8.214 8.214 8.039 0.175 17588 3615 1 7 . 1 1 19 19 LEU N N 19 122.083 122.083 126.920 -4.837 17588 3616 1 7 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.785 -0.529 17588 3617 1 7 . 1 1 19 19 LEU C C 19 177.774 177.774 175.234 2.540 17588 3618 1 7 . 1 1 19 19 LEU CA C 19 56.111 56.111 54.549 1.562 17588 3619 1 7 . 1 1 19 19 LEU CB C 19 42.041 42.041 44.222 -2.181 17588 3620 1 7 . 1 1 19 19 LEU H H 19 8.076 8.076 7.975 0.101 17588 3621 1 7 . 1 1 20 20 GLN N N 20 120.123 120.123 123.187 -3.064 17588 3622 1 7 . 1 1 20 20 GLN HA H 20 4.207 4.207 5.321 -1.114 17588 3623 1 7 . 1 1 20 20 GLN C C 20 176.166 176.166 173.648 2.518 17588 3624 1 7 . 1 1 20 20 GLN CA C 20 56.409 56.409 54.664 1.745 17588 3625 1 7 . 1 1 20 20 GLN CB C 20 29.196 29.196 32.060 -2.864 17588 3626 1 7 . 1 1 20 20 GLN H H 20 8.174 8.174 8.933 -0.759 17588 3627 1 7 . 1 1 21 21 ALA N N 21 124.216 124.216 122.987 1.229 17588 3628 1 7 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.889 -0.635 17588 3629 1 7 . 1 1 21 21 ALA C C 21 178.034 178.034 175.500 2.534 17588 3630 1 7 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.421 1.705 17588 3631 1 7 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.976 -1.905 17588 3632 1 7 . 1 1 21 21 ALA H H 21 8.151 8.151 8.724 -0.573 17588 3633 1 7 . 1 1 22 22 ARG N N 22 119.591 119.591 119.688 -0.097 17588 3634 1 7 . 1 1 22 22 ARG HA H 22 4.308 4.308 5.159 -0.851 17588 3635 1 7 . 1 1 22 22 ARG C C 22 176.750 176.750 174.743 2.007 17588 3636 1 7 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.457 0.970 17588 3637 1 7 . 1 1 22 22 ARG CB C 22 30.616 30.616 31.489 -0.873 17588 3638 1 7 . 1 1 22 22 ARG H H 22 8.147 8.147 8.756 -0.609 17588 3639 1 7 . 1 1 23 23 LEU N N 23 122.553 122.553 121.558 0.995 17588 3640 1 7 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.841 -0.567 17588 3641 1 7 . 1 1 23 23 LEU C C 23 177.547 177.547 175.927 1.620 17588 3642 1 7 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.300 1.390 17588 3643 1 7 . 1 1 23 23 LEU CB C 23 42.082 42.082 44.498 -2.416 17588 3644 1 7 . 1 1 23 23 LEU H H 23 8.220 8.220 8.704 -0.484 17588 3645 1 7 . 1 1 24 24 ASN N N 24 118.666 118.666 117.250 1.416 17588 3646 1 7 . 1 1 24 24 ASN HA H 24 4.673 4.673 5.091 -0.418 17588 3647 1 7 . 1 1 24 24 ASN C C 24 175.246 175.246 173.675 1.571 17588 3648 1 7 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.488 1.077 17588 3649 1 7 . 1 1 24 24 ASN CB C 24 38.836 38.836 39.968 -1.132 17588 3650 1 7 . 1 1 24 24 ASN H H 24 8.351 8.351 8.702 -0.351 17588 3651 1 7 . 1 1 25 25 ASP N N 25 120.897 120.897 119.709 1.188 17588 3652 1 7 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.869 -0.293 17588 3653 1 7 . 1 1 25 25 ASP C C 25 176.732 176.732 175.115 1.617 17588 3654 1 7 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.666 1.040 17588 3655 1 7 . 1 1 25 25 ASP CB C 25 41.219 41.219 42.452 -1.233 17588 3656 1 7 . 1 1 25 25 ASP H H 25 8.234 8.234 8.433 -0.199 17588 3657 1 7 . 1 1 26 26 GLU N N 26 121.168 121.168 120.467 0.701 17588 3658 1 7 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.676 -0.462 17588 3659 1 7 . 1 1 26 26 GLU C C 26 176.857 176.857 175.011 1.846 17588 3660 1 7 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.813 1.434 17588 3661 1 7 . 1 1 26 26 GLU CB C 26 29.959 29.959 31.132 -1.173 17588 3662 1 7 . 1 1 26 26 GLU H H 26 8.368 8.368 8.543 -0.175 17588 3663 1 7 . 1 1 27 27 ALA N N 27 124.100 124.100 126.405 -2.305 17588 3664 1 7 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.454 -0.137 17588 3665 1 7 . 1 1 27 27 ALA C C 27 178.520 178.520 176.884 1.636 17588 3666 1 7 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.086 0.900 17588 3667 1 7 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.703 -0.758 17588 3668 1 7 . 1 1 27 27 ALA H H 27 8.289 8.289 8.420 -0.131 17588 3669 1 7 . 1 1 28 28 GLY N N 28 107.844 107.844 107.593 0.251 17588 3670 1 7 . 1 1 28 28 GLY C C 28 175.019 175.019 174.362 0.657 17588 3671 1 7 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.315 0.313 17588 3672 1 7 . 1 1 28 28 GLY H H 28 8.315 8.315 9.847 -1.532 17588 3673 1 7 . 1 1 29 29 GLY N N 29 108.754 108.754 109.472 -0.718 17588 3674 1 7 . 1 1 29 29 GLY C C 29 174.659 174.659 174.143 0.516 17588 3675 1 7 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.150 0.337 17588 3676 1 7 . 1 1 29 29 GLY H H 29 8.266 8.266 8.941 -0.675 17588 3677 1 7 . 1 1 30 30 THR N N 30 114.068 114.068 114.354 -0.286 17588 3678 1 7 . 1 1 30 30 THR HA H 30 4.301 4.301 4.493 -0.192 17588 3679 1 7 . 1 1 30 30 THR C C 30 174.789 174.789 174.048 0.741 17588 3680 1 7 . 1 1 30 30 THR CA C 30 62.327 62.327 61.648 0.679 17588 3681 1 7 . 1 1 30 30 THR CB C 30 69.553 69.553 69.645 -0.092 17588 3682 1 7 . 1 1 30 30 THR H H 30 8.111 8.111 7.945 0.166 17588 3683 1 7 . 1 1 31 31 ARG N N 31 123.536 123.536 125.053 -1.517 17588 3684 1 7 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.693 -0.394 17588 3685 1 7 . 1 1 31 31 ARG C C 31 176.125 176.125 174.754 1.371 17588 3686 1 7 . 1 1 31 31 ARG CA C 31 56.462 56.462 56.066 0.396 17588 3687 1 7 . 1 1 31 31 ARG CB C 31 30.657 30.657 31.120 -0.463 17588 3688 1 7 . 1 1 31 31 ARG H H 31 8.343 8.343 8.450 -0.107 17588 3689 1 7 . 1 1 32 32 LEU N N 32 122.865 122.865 124.578 -1.713 17588 3690 1 7 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.555 -0.236 17588 3691 1 7 . 1 1 32 32 LEU C C 32 177.036 177.036 176.353 0.683 17588 3692 1 7 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.578 0.655 17588 3693 1 7 . 1 1 32 32 LEU CB C 32 42.264 42.264 43.890 -1.626 17588 3694 1 7 . 1 1 32 32 LEU H H 32 8.203 8.203 8.336 -0.133 17588 3695 1 7 . 1 1 33 33 LEU N N 33 123.054 123.054 123.282 -0.228 17588 3696 1 7 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.579 -0.243 17588 3697 1 7 . 1 1 33 33 LEU C C 33 177.022 177.022 176.897 0.125 17588 3698 1 7 . 1 1 33 33 LEU CA C 33 55.069 55.069 55.026 0.043 17588 3699 1 7 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.878 -0.590 17588 3700 1 7 . 1 1 33 33 LEU H H 33 8.150 8.150 8.392 -0.242 17588 3701 1 7 . 1 1 34 34 ARG N N 34 122.226 122.226 121.913 0.313 17588 3702 1 7 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.601 -0.264 17588 3703 1 7 . 1 1 34 34 ARG C C 34 175.950 175.950 174.917 1.033 17588 3704 1 7 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.016 0.902 17588 3705 1 7 . 1 1 34 34 ARG CB C 34 30.781 30.781 31.826 -1.045 17588 3706 1 7 . 1 1 34 34 ARG H H 34 8.248 8.248 8.356 -0.108 17588 3707 1 7 . 1 1 35 35 VAL N N 35 121.294 121.294 123.606 -2.312 17588 3708 1 7 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.019 0.022 17588 3709 1 7 . 1 1 35 35 VAL C C 35 175.709 175.709 175.754 -0.045 17588 3710 1 7 . 1 1 35 35 VAL CA C 35 62.240 62.240 63.938 -1.698 17588 3711 1 7 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.112 0.640 17588 3712 1 7 . 1 1 35 35 VAL H H 35 8.107 8.107 8.429 -0.322 17588 3713 1 7 . 1 1 36 36 HIS N N 36 123.522 123.522 125.490 -1.968 17588 3714 1 7 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.773 -0.175 17588 3715 1 7 . 1 1 36 36 HIS C C 36 174.825 174.825 173.895 0.930 17588 3716 1 7 . 1 1 36 36 HIS CA C 36 56.111 56.111 54.961 1.150 17588 3717 1 7 . 1 1 36 36 HIS CB C 36 30.944 30.944 32.161 -1.217 17588 3718 1 7 . 1 1 36 36 HIS H H 36 8.410 8.410 8.813 -0.403 17588 3719 1 7 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.383 0.217 17588 3720 1 7 . 1 1 37 37 HIS C C 37 175.173 175.173 174.329 0.844 17588 3721 1 7 . 1 1 37 37 HIS CA C 37 56.217 56.217 56.941 -0.724 17588 3722 1 7 . 1 1 37 37 HIS CB C 37 31.027 31.027 30.255 0.772 17588 3723 1 7 . 1 1 38 38 GLU N N 38 122.826 122.826 126.215 -3.389 17588 3724 1 7 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.472 -0.217 17588 3725 1 7 . 1 1 38 38 GLU C C 38 176.483 176.483 175.380 1.103 17588 3726 1 7 . 1 1 38 38 GLU CA C 38 56.919 56.919 54.716 2.203 17588 3727 1 7 . 1 1 38 38 GLU CB C 38 30.328 30.328 31.564 -1.236 17588 3728 1 7 . 1 1 38 38 GLU H H 38 8.569 8.569 8.143 0.426 17588 3729 1 7 . 1 1 39 39 SER N N 39 116.398 116.398 115.140 1.258 17588 3730 1 7 . 1 1 39 39 SER HA H 39 4.454 4.454 4.262 0.192 17588 3731 1 7 . 1 1 39 39 SER C C 39 174.497 174.497 174.367 0.130 17588 3732 1 7 . 1 1 39 39 SER CA C 39 58.552 58.552 58.534 0.018 17588 3733 1 7 . 1 1 39 39 SER CB C 39 64.028 64.028 63.626 0.402 17588 3734 1 7 . 1 1 39 39 SER H H 39 8.444 8.444 8.314 0.130 17588 3735 1 7 . 1 1 40 40 ASP N N 40 122.831 122.831 121.115 1.716 17588 3736 1 7 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.474 0.198 17588 3737 1 7 . 1 1 40 40 ASP C C 40 176.783 176.783 176.070 0.713 17588 3738 1 7 . 1 1 40 40 ASP CA C 40 54.759 54.759 53.953 0.806 17588 3739 1 7 . 1 1 40 40 ASP CB C 40 41.014 41.014 39.986 1.028 17588 3740 1 7 . 1 1 40 40 ASP H H 40 8.469 8.469 8.368 0.101 17588 3741 1 7 . 1 1 41 41 THR N N 41 113.679 113.679 116.050 -2.371 17588 3742 1 7 . 1 1 41 41 THR HA H 41 4.181 4.181 3.953 0.228 17588 3743 1 7 . 1 1 41 41 THR C C 41 175.314 175.314 174.761 0.553 17588 3744 1 7 . 1 1 41 41 THR CA C 41 62.819 62.819 63.979 -1.160 17588 3745 1 7 . 1 1 41 41 THR CB C 41 69.576 69.576 69.178 0.397 17588 3746 1 7 . 1 1 41 41 THR H H 41 8.066 8.066 8.234 -0.168 17588 3747 1 7 . 1 1 42 42 GLU N N 42 122.776 122.776 120.854 1.922 17588 3748 1 7 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.460 -0.252 17588 3749 1 7 . 1 1 42 42 GLU C C 42 177.129 177.129 175.347 1.782 17588 3750 1 7 . 1 1 42 42 GLU CA C 42 57.322 57.322 55.529 1.793 17588 3751 1 7 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.559 -0.559 17588 3752 1 7 . 1 1 42 42 GLU H H 42 8.343 8.343 7.940 0.403 17588 3753 1 7 . 1 1 43 43 GLU N N 43 121.898 121.898 122.469 -0.571 17588 3754 1 7 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.677 -0.466 17588 3755 1 7 . 1 1 43 43 GLU C C 43 177.313 177.313 175.907 1.406 17588 3756 1 7 . 1 1 43 43 GLU CA C 43 57.453 57.453 55.276 2.177 17588 3757 1 7 . 1 1 43 43 GLU CB C 43 29.959 29.959 30.418 -0.459 17588 3758 1 7 . 1 1 43 43 GLU H H 43 8.397 8.397 8.756 -0.359 17588 3759 1 7 . 1 1 44 44 ARG N N 44 121.336 121.336 121.031 0.305 17588 3760 1 7 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.098 0.128 17588 3761 1 7 . 1 1 44 44 ARG C C 44 178.048 178.048 176.931 1.117 17588 3762 1 7 . 1 1 44 44 ARG CA C 44 57.779 57.779 56.846 0.933 17588 3763 1 7 . 1 1 44 44 ARG CB C 44 30.366 30.366 28.089 2.277 17588 3764 1 7 . 1 1 44 44 ARG H H 44 8.401 8.401 8.320 0.081 17588 3765 1 7 . 1 1 45 45 GLY N N 45 109.098 109.098 111.473 -2.375 17588 3766 1 7 . 1 1 45 45 GLY C C 45 175.522 175.522 173.646 1.876 17588 3767 1 7 . 1 1 45 45 GLY CA C 45 46.400 46.400 46.015 0.385 17588 3768 1 7 . 1 1 45 45 GLY H H 45 8.536 8.536 8.396 0.140 17588 3769 1 7 . 1 1 46 46 PHE N N 46 121.592 121.592 118.462 3.130 17588 3770 1 7 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.471 -0.054 17588 3771 1 7 . 1 1 46 46 PHE C C 46 177.561 177.561 176.035 1.526 17588 3772 1 7 . 1 1 46 46 PHE CA C 46 60.080 60.080 59.917 0.163 17588 3773 1 7 . 1 1 46 46 PHE CB C 46 38.911 38.911 40.339 -1.428 17588 3774 1 7 . 1 1 46 46 PHE H H 46 8.071 8.071 7.771 0.300 17588 3775 1 7 . 1 1 47 47 LEU N N 47 121.344 121.344 119.982 1.362 17588 3776 1 7 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.394 0.648 17588 3777 1 7 . 1 1 47 47 LEU C C 47 179.621 179.621 178.428 1.193 17588 3778 1 7 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.855 -0.395 17588 3779 1 7 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.620 0.017 17588 3780 1 7 . 1 1 47 47 LEU H H 47 8.215 8.215 8.051 0.164 17588 3781 1 7 . 1 1 48 48 GLU N N 48 121.986 121.986 118.146 3.840 17588 3782 1 7 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.761 0.227 17588 3783 1 7 . 1 1 48 48 GLU C C 48 177.573 177.573 177.917 -0.344 17588 3784 1 7 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.613 -0.306 17588 3785 1 7 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.459 0.189 17588 3786 1 7 . 1 1 48 48 GLU H H 48 8.225 8.225 8.459 -0.234 17588 3787 1 7 . 1 1 49 49 LYS N N 49 118.759 118.759 119.543 -0.784 17588 3788 1 7 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.124 0.119 17588 3789 1 7 . 1 1 49 49 LYS C C 49 177.659 177.659 178.071 -0.412 17588 3790 1 7 . 1 1 49 49 LYS CA C 49 59.886 59.886 58.321 1.565 17588 3791 1 7 . 1 1 49 49 LYS CB C 49 32.302 32.302 31.704 0.598 17588 3792 1 7 . 1 1 49 49 LYS H H 49 7.790 7.790 7.318 0.472 17588 3793 1 7 . 1 1 50 50 ALA N N 50 120.023 120.023 121.500 -1.477 17588 3794 1 7 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.699 0.260 17588 3795 1 7 . 1 1 50 50 ALA C C 50 180.486 180.486 179.045 1.441 17588 3796 1 7 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.971 -0.089 17588 3797 1 7 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.930 -0.053 17588 3798 1 7 . 1 1 50 50 ALA H H 50 7.798 7.798 8.077 -0.279 17588 3799 1 7 . 1 1 51 51 ALA N N 51 121.955 121.955 120.330 1.625 17588 3800 1 7 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.938 0.175 17588 3801 1 7 . 1 1 51 51 ALA C C 51 180.762 180.762 179.412 1.350 17588 3802 1 7 . 1 1 51 51 ALA CA C 51 55.111 55.111 54.930 0.181 17588 3803 1 7 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.132 -0.091 17588 3804 1 7 . 1 1 51 51 ALA H H 51 7.809 7.809 7.387 0.422 17588 3805 1 7 . 1 1 52 52 VAL N N 52 120.415 120.415 119.250 1.165 17588 3806 1 7 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.790 -0.140 17588 3807 1 7 . 1 1 52 52 VAL C C 52 178.567 178.567 178.216 0.351 17588 3808 1 7 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.868 0.358 17588 3809 1 7 . 1 1 52 52 VAL CB C 52 31.110 31.110 31.024 0.086 17588 3810 1 7 . 1 1 52 52 VAL H H 52 7.944 7.944 7.253 0.691 17588 3811 1 7 . 1 1 53 53 LYS N N 53 119.231 119.231 118.878 0.353 17588 3812 1 7 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.756 -0.192 17588 3813 1 7 . 1 1 53 53 LYS C C 53 178.546 178.546 178.924 -0.378 17588 3814 1 7 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.099 1.621 17588 3815 1 7 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.772 0.479 17588 3816 1 7 . 1 1 53 53 LYS H H 53 8.132 8.132 7.541 0.591 17588 3817 1 7 . 1 1 54 54 LYS N N 54 119.514 119.514 119.499 0.015 17588 3818 1 7 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.929 0.065 17588 3819 1 7 . 1 1 54 54 LYS C C 54 179.987 179.987 179.202 0.785 17588 3820 1 7 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.903 0.334 17588 3821 1 7 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.314 0.169 17588 3822 1 7 . 1 1 54 54 LYS H H 54 7.956 7.956 7.518 0.438 17588 3823 1 7 . 1 1 55 55 MET N N 55 119.732 119.732 117.370 2.362 17588 3824 1 7 . 1 1 55 55 MET HA H 55 4.251 4.251 4.035 0.216 17588 3825 1 7 . 1 1 55 55 MET C C 55 177.536 177.536 178.472 -0.936 17588 3826 1 7 . 1 1 55 55 MET CA C 55 58.396 58.396 58.772 -0.376 17588 3827 1 7 . 1 1 55 55 MET CB C 55 34.228 34.228 32.370 1.858 17588 3828 1 7 . 1 1 55 55 MET H H 55 7.816 7.816 7.951 -0.135 17588 3829 1 7 . 1 1 56 56 ALA N N 56 122.295 122.295 122.618 -0.323 17588 3830 1 7 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.125 0.027 17588 3831 1 7 . 1 1 56 56 ALA C C 56 179.615 179.615 179.437 0.178 17588 3832 1 7 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.394 -0.056 17588 3833 1 7 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.090 1.016 17588 3834 1 7 . 1 1 56 56 ALA H H 56 8.724 8.724 7.944 0.779 17588 3835 1 7 . 1 1 57 57 LYS N N 57 117.704 117.704 119.422 -1.718 17588 3836 1 7 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.042 0.042 17588 3837 1 7 . 1 1 57 57 LYS C C 57 179.358 179.358 178.883 0.475 17588 3838 1 7 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.653 0.321 17588 3839 1 7 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.430 0.071 17588 3840 1 7 . 1 1 57 57 LYS H H 57 8.444 8.444 8.050 0.394 17588 3841 1 7 . 1 1 58 58 ALA N N 58 122.736 122.736 120.278 2.458 17588 3842 1 7 . 1 1 58 58 ALA HA H 58 4.171 4.171 3.989 0.182 17588 3843 1 7 . 1 1 58 58 ALA C C 58 180.708 180.708 179.571 1.137 17588 3844 1 7 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.095 0.016 17588 3845 1 7 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.240 -0.692 17588 3846 1 7 . 1 1 58 58 ALA H H 58 7.701 7.701 7.479 0.222 17588 3847 1 7 . 1 1 59 59 ILE N N 59 117.672 117.672 119.024 -1.352 17588 3848 1 7 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.877 -0.204 17588 3849 1 7 . 1 1 59 59 ILE C C 59 177.728 177.728 178.192 -0.464 17588 3850 1 7 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.526 -0.548 17588 3851 1 7 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.937 -0.124 17588 3852 1 7 . 1 1 59 59 ILE H H 59 7.547 7.547 7.528 0.019 17588 3853 1 7 . 1 1 60 60 MET N N 60 117.653 117.653 116.494 1.159 17588 3854 1 7 . 1 1 60 60 MET HA H 60 4.098 4.098 4.076 0.022 17588 3855 1 7 . 1 1 60 60 MET C C 60 178.085 178.085 177.281 0.804 17588 3856 1 7 . 1 1 60 60 MET CA C 60 58.060 58.060 58.328 -0.268 17588 3857 1 7 . 1 1 60 60 MET CB C 60 32.178 32.178 32.614 -0.436 17588 3858 1 7 . 1 1 60 60 MET H H 60 7.718 7.718 8.036 -0.318 17588 3859 1 7 . 1 1 61 61 ALA N N 61 118.874 118.874 120.162 -1.288 17588 3860 1 7 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.359 -0.085 17588 3861 1 7 . 1 1 61 61 ALA C C 61 177.758 177.758 178.286 -0.528 17588 3862 1 7 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.649 0.793 17588 3863 1 7 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.832 -0.764 17588 3864 1 7 . 1 1 61 61 ALA H H 61 7.513 7.513 7.423 0.090 17588 3865 1 7 . 1 1 62 62 ASP N N 62 115.735 115.735 119.862 -4.127 17588 3866 1 7 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.131 -0.198 17588 3867 1 7 . 1 1 62 62 ASP C C 62 172.960 172.960 174.866 -1.906 17588 3868 1 7 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.544 -0.420 17588 3869 1 7 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.761 -0.377 17588 3870 1 7 . 1 1 62 62 ASP H H 62 7.615 7.615 7.943 -0.328 17588 3871 1 7 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.347 0.099 17588 3872 1 7 . 1 1 63 63 PRO C C 63 179.157 179.157 177.763 1.394 17588 3873 1 7 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.998 -0.599 17588 3874 1 7 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.558 -0.298 17588 3875 1 7 . 1 1 64 64 ASN N N 64 115.566 115.566 115.273 0.293 17588 3876 1 7 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.430 0.122 17588 3877 1 7 . 1 1 64 64 ASN C C 64 176.867 176.867 177.415 -0.548 17588 3878 1 7 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.530 -0.209 17588 3879 1 7 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.196 0.705 17588 3880 1 7 . 1 1 64 64 ASN H H 64 8.094 8.094 8.816 -0.722 17588 3881 1 7 . 1 1 65 65 LYS N N 65 118.691 118.691 120.462 -1.771 17588 3882 1 7 . 1 1 65 65 LYS HA H 65 4.178 4.178 3.997 0.181 17588 3883 1 7 . 1 1 65 65 LYS C C 65 175.844 175.844 177.924 -2.080 17588 3884 1 7 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.811 -2.577 17588 3885 1 7 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.596 1.281 17588 3886 1 7 . 1 1 65 65 LYS H H 65 8.185 8.185 8.091 0.094 17588 3887 1 7 . 1 1 66 66 ALA N N 66 120.147 120.147 122.484 -2.337 17588 3888 1 7 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.450 -0.408 17588 3889 1 7 . 1 1 66 66 ALA C C 66 176.697 176.697 178.921 -2.224 17588 3890 1 7 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.283 0.529 17588 3891 1 7 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.866 0.368 17588 3892 1 7 . 1 1 66 66 ALA H H 66 7.233 7.233 7.552 -0.319 17588 3893 1 7 . 1 1 67 67 ASP N N 67 114.524 114.524 118.336 -3.812 17588 3894 1 7 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.458 -0.285 17588 3895 1 7 . 1 1 67 67 ASP C C 67 178.071 178.071 178.724 -0.653 17588 3896 1 7 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.743 0.625 17588 3897 1 7 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.215 0.429 17588 3898 1 7 . 1 1 67 67 ASP H H 67 8.114 8.114 7.917 0.197 17588 3899 1 7 . 1 1 68 68 GLU N N 68 117.486 117.486 119.304 -1.818 17588 3900 1 7 . 1 1 68 68 GLU HA H 68 3.893 3.893 4.051 -0.158 17588 3901 1 7 . 1 1 68 68 GLU C C 68 178.885 178.885 179.004 -0.119 17588 3902 1 7 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.894 -0.149 17588 3903 1 7 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.448 0.212 17588 3904 1 7 . 1 1 68 68 GLU H H 68 7.846 7.846 7.720 0.126 17588 3905 1 7 . 1 1 69 69 VAL N N 69 120.957 120.957 120.631 0.326 17588 3906 1 7 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.159 -0.113 17588 3907 1 7 . 1 1 69 69 VAL C C 69 176.618 176.618 177.789 -1.171 17588 3908 1 7 . 1 1 69 69 VAL CA C 69 66.453 66.453 65.672 0.781 17588 3909 1 7 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.247 0.792 17588 3910 1 7 . 1 1 69 69 VAL H H 69 7.325 7.325 7.629 -0.304 17588 3911 1 7 . 1 1 70 70 TYR N N 70 117.638 117.638 117.366 0.272 17588 3912 1 7 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.075 0.100 17588 3913 1 7 . 1 1 70 70 TYR C C 70 178.493 178.493 178.042 0.451 17588 3914 1 7 . 1 1 70 70 TYR CA C 70 57.481 57.481 61.639 -4.158 17588 3915 1 7 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.898 -3.035 17588 3916 1 7 . 1 1 70 70 TYR H H 70 8.483 8.483 8.222 0.261 17588 3917 1 7 . 1 1 71 71 LYS N N 71 117.283 117.283 118.714 -1.431 17588 3918 1 7 . 1 1 71 71 LYS HA H 71 4.214 4.214 3.910 0.304 17588 3919 1 7 . 1 1 71 71 LYS C C 71 178.790 178.790 179.004 -0.214 17588 3920 1 7 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.657 0.136 17588 3921 1 7 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.062 0.445 17588 3922 1 7 . 1 1 71 71 LYS H H 71 7.754 7.754 7.771 -0.017 17588 3923 1 7 . 1 1 72 72 LYS N N 72 120.053 120.053 119.663 0.390 17588 3924 1 7 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.890 0.251 17588 3925 1 7 . 1 1 72 72 LYS C C 72 180.399 180.399 179.158 1.241 17588 3926 1 7 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.604 0.124 17588 3927 1 7 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.078 -0.064 17588 3928 1 7 . 1 1 72 72 LYS H H 72 7.386 7.386 7.899 -0.512 17588 3929 1 7 . 1 1 73 73 TRP N N 73 121.910 121.910 119.853 2.057 17588 3930 1 7 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.551 -0.038 17588 3931 1 7 . 1 1 73 73 TRP C C 73 177.981 177.981 179.129 -1.148 17588 3932 1 7 . 1 1 73 73 TRP CA C 73 57.915 57.915 60.338 -2.423 17588 3933 1 7 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.222 1.340 17588 3934 1 7 . 1 1 73 73 TRP H H 73 8.659 8.659 8.306 0.353 17588 3935 1 7 . 1 1 74 74 ALA N N 74 123.471 123.471 121.748 1.723 17588 3936 1 7 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.207 0.285 17588 3937 1 7 . 1 1 74 74 ALA C C 74 182.881 182.881 179.830 3.051 17588 3938 1 7 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.105 0.244 17588 3939 1 7 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.299 0.093 17588 3940 1 7 . 1 1 74 74 ALA H H 74 9.137 9.137 8.098 1.039 17588 3941 1 7 . 1 1 75 75 ASP N N 75 121.896 121.896 117.388 4.508 17588 3942 1 7 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.407 0.057 17588 3943 1 7 . 1 1 75 75 ASP C C 75 178.714 178.714 178.452 0.262 17588 3944 1 7 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.371 0.723 17588 3945 1 7 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.805 -0.220 17588 3946 1 7 . 1 1 75 75 ASP H H 75 8.804 8.804 8.205 0.599 17588 3947 1 7 . 1 1 76 76 LYS N N 76 118.966 118.966 116.853 2.113 17588 3948 1 7 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.029 0.000 17588 3949 1 7 . 1 1 76 76 LYS C C 76 176.868 176.868 177.560 -0.692 17588 3950 1 7 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.717 -0.220 17588 3951 1 7 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.832 -1.147 17588 3952 1 7 . 1 1 76 76 LYS H H 76 7.630 7.630 7.918 -0.288 17588 3953 1 7 . 1 1 77 77 GLY N N 77 107.310 107.310 106.711 0.599 17588 3954 1 7 . 1 1 77 77 GLY C C 77 175.407 175.407 173.738 1.669 17588 3955 1 7 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.630 0.559 17588 3956 1 7 . 1 1 77 77 GLY H H 77 7.901 7.901 7.607 0.294 17588 3957 1 7 . 1 1 78 78 TYR N N 78 117.917 117.917 120.506 -2.589 17588 3958 1 7 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.988 0.304 17588 3959 1 7 . 1 1 78 78 TYR C C 78 178.422 178.422 175.129 3.293 17588 3960 1 7 . 1 1 78 78 TYR CA C 78 55.545 55.545 56.456 -0.912 17588 3961 1 7 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.223 -3.442 17588 3962 1 7 . 1 1 78 78 TYR H H 78 7.506 7.506 7.555 -0.049 17588 3963 1 7 . 1 1 79 79 THR N N 79 119.420 119.420 113.149 6.271 17588 3964 1 7 . 1 1 79 79 THR HA H 79 4.518 4.518 4.793 -0.275 17588 3965 1 7 . 1 1 79 79 THR C C 79 175.648 175.648 175.512 0.136 17588 3966 1 7 . 1 1 79 79 THR CA C 79 60.027 60.027 60.156 -0.129 17588 3967 1 7 . 1 1 79 79 THR CB C 79 71.622 71.622 71.950 -0.328 17588 3968 1 7 . 1 1 79 79 THR H H 79 8.957 8.957 8.247 0.710 17588 3969 1 7 . 1 1 80 80 LEU N N 80 119.655 119.655 122.483 -2.828 17588 3970 1 7 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.009 0.171 17588 3971 1 7 . 1 1 80 80 LEU C C 80 180.085 180.085 178.614 1.471 17588 3972 1 7 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.969 -0.057 17588 3973 1 7 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.045 -1.392 17588 3974 1 7 . 1 1 80 80 LEU H H 80 9.005 9.005 8.912 0.093 17588 3975 1 7 . 1 1 81 81 THR N N 81 115.259 115.259 112.905 2.354 17588 3976 1 7 . 1 1 81 81 THR HA H 81 3.939 3.939 3.980 -0.041 17588 3977 1 7 . 1 1 81 81 THR C C 81 177.000 177.000 176.927 0.073 17588 3978 1 7 . 1 1 81 81 THR CA C 81 66.349 66.349 66.157 0.192 17588 3979 1 7 . 1 1 81 81 THR CB C 81 68.591 68.591 68.079 0.513 17588 3980 1 7 . 1 1 81 81 THR H H 81 8.135 8.135 8.164 -0.029 17588 3981 1 7 . 1 1 82 82 GLN N N 82 121.304 121.304 119.817 1.487 17588 3982 1 7 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.756 -0.103 17588 3983 1 7 . 1 1 82 82 GLN C C 82 178.354 178.354 177.460 0.894 17588 3984 1 7 . 1 1 82 82 GLN CA C 82 58.640 58.640 57.609 1.031 17588 3985 1 7 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.174 0.740 17588 3986 1 7 . 1 1 82 82 GLN H H 82 7.641 7.641 7.375 0.266 17588 3987 1 7 . 1 1 83 83 MET N N 83 117.464 117.464 119.808 -2.344 17588 3988 1 7 . 1 1 83 83 MET HA H 83 4.425 4.425 3.552 0.873 17588 3989 1 7 . 1 1 83 83 MET C C 83 177.906 177.906 177.981 -0.075 17588 3990 1 7 . 1 1 83 83 MET CA C 83 55.462 55.462 57.843 -2.381 17588 3991 1 7 . 1 1 83 83 MET CB C 83 29.014 29.014 31.937 -2.923 17588 3992 1 7 . 1 1 83 83 MET H H 83 8.665 8.665 8.312 0.353 17588 3993 1 7 . 1 1 84 84 SER N N 84 114.879 114.879 114.827 0.052 17588 3994 1 7 . 1 1 84 84 SER HA H 84 3.689 3.689 4.011 -0.322 17588 3995 1 7 . 1 1 84 84 SER C C 84 176.666 176.666 176.629 0.037 17588 3996 1 7 . 1 1 84 84 SER CA C 84 61.347 61.347 61.964 -0.617 17588 3997 1 7 . 1 1 84 84 SER CB C 84 62.356 62.356 62.666 -0.310 17588 3998 1 7 . 1 1 84 84 SER H H 84 8.607 8.607 7.938 0.669 17588 3999 1 7 . 1 1 85 85 ASN N N 85 117.904 117.904 119.196 -1.292 17588 4000 1 7 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.413 0.002 17588 4001 1 7 . 1 1 85 85 ASN C C 85 177.997 177.997 177.955 0.042 17588 4002 1 7 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.744 0.209 17588 4003 1 7 . 1 1 85 85 ASN CB C 85 38.260 38.260 38.244 0.016 17588 4004 1 7 . 1 1 85 85 ASN H H 85 7.204 7.204 7.396 -0.192 17588 4005 1 7 . 1 1 86 86 PHE N N 86 118.316 118.316 117.586 0.730 17588 4006 1 7 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.242 0.186 17588 4007 1 7 . 1 1 86 86 PHE C C 86 177.478 177.478 176.930 0.548 17588 4008 1 7 . 1 1 86 86 PHE CA C 86 58.394 58.394 58.501 -0.107 17588 4009 1 7 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.375 0.460 17588 4010 1 7 . 1 1 86 86 PHE H H 86 8.367 8.367 7.422 0.945 17588 4011 1 7 . 1 1 87 87 LEU N N 87 112.533 112.533 116.906 -4.373 17588 4012 1 7 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.129 -0.029 17588 4013 1 7 . 1 1 87 87 LEU C C 87 176.474 176.474 176.167 0.307 17588 4014 1 7 . 1 1 87 87 LEU CA C 87 54.549 54.549 53.690 0.859 17588 4015 1 7 . 1 1 87 87 LEU CB C 87 41.371 41.371 40.123 1.248 17588 4016 1 7 . 1 1 87 87 LEU H H 87 7.778 7.778 7.925 -0.147 17588 4017 1 7 . 1 1 88 88 LYS N N 88 119.798 119.798 120.437 -0.639 17588 4018 1 7 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.056 0.192 17588 4019 1 7 . 1 1 88 88 LYS C C 88 176.594 176.594 177.149 -0.555 17588 4020 1 7 . 1 1 88 88 LYS CA C 88 57.674 57.674 57.707 -0.033 17588 4021 1 7 . 1 1 88 88 LYS CB C 88 32.671 32.671 33.090 -0.418 17588 4022 1 7 . 1 1 88 88 LYS H H 88 7.328 7.328 7.272 0.056 17588 4023 1 7 . 1 1 89 89 SER N N 89 117.937 117.937 111.708 6.229 17588 4024 1 7 . 1 1 89 89 SER HA H 89 4.785 4.785 4.093 0.692 17588 4025 1 7 . 1 1 89 89 SER CA C 89 57.375 57.375 58.669 -1.294 17588 4026 1 7 . 1 1 89 89 SER CB C 89 64.838 64.838 61.994 2.844 17588 4027 1 7 . 1 1 89 89 SER H H 89 8.197 8.197 8.646 -0.449 17588 4028 1 7 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.876 0.278 17588 4029 1 7 . 1 1 90 90 LYS C C 90 177.472 177.472 175.871 1.601 17588 4030 1 7 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.605 0.789 17588 4031 1 7 . 1 1 90 90 LYS CB C 90 31.767 31.767 30.785 0.983 17588 4032 1 7 . 1 1 90 90 LYS H H 90 7.981 7.981 8.529 -0.548 17588 4033 1 7 . 1 1 91 91 THR N N 91 113.435 113.435 114.866 -1.431 17588 4034 1 7 . 1 1 91 91 THR HA H 91 4.342 4.342 4.508 -0.166 17588 4035 1 7 . 1 1 91 91 THR C C 91 174.236 174.236 173.541 0.695 17588 4036 1 7 . 1 1 91 91 THR CA C 91 61.203 61.203 61.207 -0.004 17588 4037 1 7 . 1 1 91 91 THR CB C 91 69.254 69.254 70.928 -1.674 17588 4038 1 7 . 1 1 91 91 THR H H 91 7.942 7.942 7.874 0.068 17588 4039 1 7 . 1 1 92 92 ALA N N 92 129.685 129.685 127.270 2.415 17588 4040 1 7 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.566 -0.388 17588 4041 1 7 . 1 1 92 92 ALA C C 92 178.710 178.710 176.612 2.098 17588 4042 1 7 . 1 1 92 92 ALA CA C 92 53.583 53.583 52.100 1.483 17588 4043 1 7 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.699 -0.618 17588 4044 1 7 . 1 1 92 92 ALA H H 92 8.603 8.603 8.592 0.011 17588 4045 1 7 . 1 1 93 93 GLY N N 93 109.919 109.919 106.426 3.493 17588 4046 1 7 . 1 1 93 93 GLY C C 93 176.310 176.310 173.590 2.720 17588 4047 1 7 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.626 -0.121 17588 4048 1 7 . 1 1 93 93 GLY H H 93 8.823 8.823 8.020 0.803 17588 4049 1 7 . 1 1 94 94 LYS N N 94 120.949 120.949 119.659 1.290 17588 4050 1 7 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.362 -0.570 17588 4051 1 7 . 1 1 94 94 LYS C C 94 177.630 177.630 175.996 1.634 17588 4052 1 7 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.789 2.817 17588 4053 1 7 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.820 -0.574 17588 4054 1 7 . 1 1 94 94 LYS H H 94 7.501 7.501 8.155 -0.654 17588 4055 1 7 . 1 1 95 95 TYR N N 95 113.034 113.034 118.159 -5.125 17588 4056 1 7 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.746 0.301 17588 4057 1 7 . 1 1 95 95 TYR C C 95 176.649 176.649 175.791 0.858 17588 4058 1 7 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.818 0.118 17588 4059 1 7 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.347 1.653 17588 4060 1 7 . 1 1 95 95 TYR H H 95 8.670 8.670 8.438 0.232 17588 4061 1 7 . 1 1 96 96 ASP N N 96 123.097 123.097 122.053 1.044 17588 4062 1 7 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.494 -0.165 17588 4063 1 7 . 1 1 96 96 ASP C C 96 178.087 178.087 178.016 0.071 17588 4064 1 7 . 1 1 96 96 ASP CA C 96 58.619 58.619 58.198 0.421 17588 4065 1 7 . 1 1 96 96 ASP CB C 96 39.570 39.570 41.048 -1.478 17588 4066 1 7 . 1 1 96 96 ASP H H 96 7.756 7.756 8.064 -0.308 17588 4067 1 7 . 1 1 97 97 ARG N N 97 118.384 118.384 119.653 -1.269 17588 4068 1 7 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.202 0.060 17588 4069 1 7 . 1 1 97 97 ARG C C 97 179.927 179.927 178.536 1.391 17588 4070 1 7 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.153 0.593 17588 4071 1 7 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.187 0.607 17588 4072 1 7 . 1 1 97 97 ARG H H 97 8.897 8.897 8.819 0.078 17588 4073 1 7 . 1 1 98 98 VAL N N 98 119.642 119.642 119.755 -0.113 17588 4074 1 7 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.155 -0.217 17588 4075 1 7 . 1 1 98 98 VAL C C 98 179.630 179.630 178.107 1.523 17588 4076 1 7 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.676 0.128 17588 4077 1 7 . 1 1 98 98 VAL CB C 98 32.054 32.054 32.078 -0.024 17588 4078 1 7 . 1 1 98 98 VAL H H 98 7.578 7.578 7.736 -0.158 17588 4079 1 7 . 1 1 99 99 TYR N N 99 122.432 122.432 120.889 1.543 17588 4080 1 7 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.086 -0.152 17588 4081 1 7 . 1 1 99 99 TYR C C 99 176.400 176.400 177.548 -1.148 17588 4082 1 7 . 1 1 99 99 TYR CA C 99 62.906 62.906 62.379 0.527 17588 4083 1 7 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.558 -0.236 17588 4084 1 7 . 1 1 99 99 TYR H H 99 8.635 8.635 8.887 -0.252 17588 4085 1 7 . 1 1 100 100 ASN N N 100 117.211 117.211 117.361 -0.150 17588 4086 1 7 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.243 0.043 17588 4087 1 7 . 1 1 100 100 ASN C C 100 178.488 178.488 177.298 1.190 17588 4088 1 7 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.710 -0.854 17588 4089 1 7 . 1 1 100 100 ASN CB C 100 37.849 37.849 38.111 -0.262 17588 4090 1 7 . 1 1 100 100 ASN H H 100 9.024 9.024 8.744 0.280 17588 4091 1 7 . 1 1 101 101 GLY N N 101 105.413 105.413 107.510 -2.097 17588 4092 1 7 . 1 1 101 101 GLY C C 101 175.833 175.833 175.712 0.121 17588 4093 1 7 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.234 -0.202 17588 4094 1 7 . 1 1 101 101 GLY H H 101 7.908 7.908 7.864 0.044 17588 4095 1 7 . 1 1 102 102 TYR N N 102 126.373 126.373 123.708 2.665 17588 4096 1 7 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.904 -0.437 17588 4097 1 7 . 1 1 102 102 TYR C C 102 176.016 176.016 177.782 -1.766 17588 4098 1 7 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.381 -0.828 17588 4099 1 7 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.424 -0.534 17588 4100 1 7 . 1 1 102 102 TYR H H 102 7.581 7.581 7.496 0.085 17588 4101 1 7 . 1 1 103 103 VAL N N 103 117.870 117.870 118.400 -0.530 17588 4102 1 7 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.347 -0.205 17588 4103 1 7 . 1 1 103 103 VAL C C 103 178.786 178.786 178.204 0.582 17588 4104 1 7 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.415 0.163 17588 4105 1 7 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.780 0.967 17588 4106 1 7 . 1 1 103 103 VAL H H 103 7.510 7.510 7.842 -0.332 17588 4107 1 7 . 1 1 104 104 ILE N N 104 116.770 116.770 118.190 -1.420 17588 4108 1 7 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.541 0.151 17588 4109 1 7 . 1 1 104 104 ILE C C 104 178.703 178.703 177.597 1.106 17588 4110 1 7 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.916 -1.079 17588 4111 1 7 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.688 0.244 17588 4112 1 7 . 1 1 104 104 ILE H H 104 7.056 7.056 7.377 -0.321 17588 4113 1 7 . 1 1 105 105 HIS N N 105 121.324 121.324 119.370 1.954 17588 4114 1 7 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.044 -0.092 17588 4115 1 7 . 1 1 105 105 HIS C C 105 176.974 176.974 177.831 -0.857 17588 4116 1 7 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.838 0.312 17588 4117 1 7 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.822 0.702 17588 4118 1 7 . 1 1 105 105 HIS H H 105 7.864 7.864 7.591 0.273 17588 4119 1 7 . 1 1 106 106 LEU N N 106 115.126 115.126 119.390 -4.264 17588 4120 1 7 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.240 -0.405 17588 4121 1 7 . 1 1 106 106 LEU C C 106 177.315 177.315 178.720 -1.405 17588 4122 1 7 . 1 1 106 106 LEU CA C 106 55.707 55.707 58.460 -2.753 17588 4123 1 7 . 1 1 106 106 LEU CB C 106 42.041 42.041 40.317 1.724 17588 4124 1 7 . 1 1 106 106 LEU H H 106 7.517 7.517 7.944 -0.427 17588 4125 1 7 . 1 1 107 107 ASP N N 107 119.221 119.221 118.911 0.310 17588 4126 1 7 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.353 0.148 17588 4127 1 7 . 1 1 107 107 ASP C C 107 175.224 175.224 177.173 -1.949 17588 4128 1 7 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.765 -1.147 17588 4129 1 7 . 1 1 107 107 ASP CB C 107 40.765 40.765 41.148 -0.383 17588 4130 1 7 . 1 1 107 107 ASP H H 107 7.512 7.512 7.728 -0.216 17588 4131 1 8 . 1 1 6 6 SER HA H 6 4.480 4.480 4.844 -0.364 17588 4132 1 8 . 1 1 6 6 SER C C 6 174.995 174.995 173.499 1.496 17588 4133 1 8 . 1 1 6 6 SER CA C 6 58.675 58.675 57.462 1.213 17588 4134 1 8 . 1 1 6 6 SER CB C 6 63.822 63.822 65.345 -1.523 17588 4135 1 8 . 1 1 7 7 GLY N N 7 110.458 110.458 109.304 1.154 17588 4136 1 8 . 1 1 7 7 GLY C C 7 173.853 173.853 174.361 -0.508 17588 4137 1 8 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.225 0.122 17588 4138 1 8 . 1 1 7 7 GLY H H 7 8.394 8.394 8.336 0.058 17588 4139 1 8 . 1 1 8 8 ASN N N 8 119.020 119.020 118.023 0.997 17588 4140 1 8 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.543 0.214 17588 4141 1 8 . 1 1 8 8 ASN C C 8 175.389 175.389 174.867 0.522 17588 4142 1 8 . 1 1 8 8 ASN CA C 8 53.231 53.231 53.044 0.187 17588 4143 1 8 . 1 1 8 8 ASN CB C 8 38.959 38.959 37.934 1.025 17588 4144 1 8 . 1 1 8 8 ASN H H 8 8.308 8.308 8.288 0.020 17588 4145 1 8 . 1 1 9 9 VAL N N 9 120.281 120.281 115.558 4.723 17588 4146 1 8 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.133 -0.018 17588 4147 1 8 . 1 1 9 9 VAL C C 9 175.980 175.980 175.462 0.518 17588 4148 1 8 . 1 1 9 9 VAL CA C 9 62.468 62.468 63.077 -0.609 17588 4149 1 8 . 1 1 9 9 VAL CB C 9 32.712 32.712 33.054 -0.342 17588 4150 1 8 . 1 1 9 9 VAL H H 9 8.173 8.173 7.644 0.529 17588 4151 1 8 . 1 1 10 10 ASP N N 10 123.840 123.840 122.954 0.886 17588 4152 1 8 . 1 1 10 10 ASP HA H 10 4.624 4.624 5.208 -0.584 17588 4153 1 8 . 1 1 10 10 ASP C C 10 176.599 176.599 174.637 1.962 17588 4154 1 8 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.547 0.843 17588 4155 1 8 . 1 1 10 10 ASP CB C 10 41.343 41.343 42.422 -1.079 17588 4156 1 8 . 1 1 10 10 ASP H H 10 8.418 8.418 8.951 -0.533 17588 4157 1 8 . 1 1 11 11 SER N N 11 117.003 117.003 114.612 2.391 17588 4158 1 8 . 1 1 11 11 SER HA H 11 4.395 4.395 5.117 -0.722 17588 4159 1 8 . 1 1 11 11 SER C C 11 174.834 174.834 172.556 2.278 17588 4160 1 8 . 1 1 11 11 SER CA C 11 58.886 58.886 57.741 1.145 17588 4161 1 8 . 1 1 11 11 SER CB C 11 63.740 63.740 64.584 -0.844 17588 4162 1 8 . 1 1 11 11 SER H H 11 8.312 8.312 8.775 -0.463 17588 4163 1 8 . 1 1 12 12 ASN N N 12 120.512 120.512 119.083 1.429 17588 4164 1 8 . 1 1 12 12 ASN HA H 12 4.685 4.685 5.271 -0.586 17588 4165 1 8 . 1 1 12 12 ASN C C 12 175.646 175.646 173.191 2.455 17588 4166 1 8 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.584 1.209 17588 4167 1 8 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.876 -1.246 17588 4168 1 8 . 1 1 12 12 ASN H H 12 8.511 8.511 8.709 -0.198 17588 4169 1 8 . 1 1 13 13 GLN N N 13 120.057 120.057 119.203 0.854 17588 4170 1 8 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.639 -0.401 17588 4171 1 8 . 1 1 13 13 GLN C C 13 175.988 175.988 173.791 2.197 17588 4172 1 8 . 1 1 13 13 GLN CA C 13 56.447 56.447 56.469 -0.022 17588 4173 1 8 . 1 1 13 13 GLN CB C 13 29.137 29.137 30.165 -1.028 17588 4174 1 8 . 1 1 13 13 GLN H H 13 8.258 8.258 8.877 -0.619 17588 4175 1 8 . 1 1 14 14 ASN N N 14 119.323 119.323 118.673 0.650 17588 4176 1 8 . 1 1 14 14 ASN HA H 14 4.685 4.685 5.066 -0.381 17588 4177 1 8 . 1 1 14 14 ASN C C 14 175.552 175.552 173.671 1.881 17588 4178 1 8 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.978 0.587 17588 4179 1 8 . 1 1 14 14 ASN CB C 14 38.763 38.763 40.018 -1.255 17588 4180 1 8 . 1 1 14 14 ASN H H 14 8.377 8.377 8.363 0.014 17588 4181 1 8 . 1 1 15 15 LYS N N 15 121.938 121.938 120.346 1.592 17588 4182 1 8 . 1 1 15 15 LYS HA H 15 4.214 4.214 5.231 -1.017 17588 4183 1 8 . 1 1 15 15 LYS C C 15 176.933 176.933 174.676 2.257 17588 4184 1 8 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.447 1.788 17588 4185 1 8 . 1 1 15 15 LYS CB C 15 32.753 32.753 35.272 -2.518 17588 4186 1 8 . 1 1 15 15 LYS H H 15 8.224 8.224 8.716 -0.492 17588 4187 1 8 . 1 1 16 16 ALA N N 16 123.956 123.956 123.218 0.738 17588 4188 1 8 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.496 -0.222 17588 4189 1 8 . 1 1 16 16 ALA C C 16 178.593 178.593 175.895 2.698 17588 4190 1 8 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.481 1.961 17588 4191 1 8 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.259 -1.396 17588 4192 1 8 . 1 1 16 16 ALA H H 16 8.292 8.292 8.333 -0.041 17588 4193 1 8 . 1 1 17 17 SER N N 17 114.462 114.462 119.382 -4.920 17588 4194 1 8 . 1 1 17 17 SER HA H 17 4.365 4.365 4.457 -0.092 17588 4195 1 8 . 1 1 17 17 SER C C 17 175.370 175.370 175.261 0.109 17588 4196 1 8 . 1 1 17 17 SER CA C 17 59.077 59.077 58.372 0.705 17588 4197 1 8 . 1 1 17 17 SER CB C 17 63.383 63.383 63.337 0.046 17588 4198 1 8 . 1 1 17 17 SER H H 17 8.200 8.200 8.502 -0.302 17588 4199 1 8 . 1 1 18 18 MET N N 18 121.999 121.999 125.509 -3.510 17588 4200 1 8 . 1 1 18 18 MET HA H 18 4.429 4.429 4.223 0.206 17588 4201 1 8 . 1 1 18 18 MET C C 18 176.829 176.829 176.485 0.344 17588 4202 1 8 . 1 1 18 18 MET CA C 18 56.357 56.357 57.326 -0.969 17588 4203 1 8 . 1 1 18 18 MET CB C 18 32.630 32.630 33.246 -0.616 17588 4204 1 8 . 1 1 18 18 MET H H 18 8.214 8.214 8.624 -0.410 17588 4205 1 8 . 1 1 19 19 LEU N N 19 122.083 122.083 117.510 4.573 17588 4206 1 8 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.573 -0.317 17588 4207 1 8 . 1 1 19 19 LEU C C 19 177.774 177.774 175.878 1.896 17588 4208 1 8 . 1 1 19 19 LEU CA C 19 56.111 56.111 54.321 1.790 17588 4209 1 8 . 1 1 19 19 LEU CB C 19 42.041 42.041 43.535 -1.494 17588 4210 1 8 . 1 1 19 19 LEU H H 19 8.076 8.076 7.518 0.558 17588 4211 1 8 . 1 1 20 20 GLN N N 20 120.123 120.123 123.490 -3.367 17588 4212 1 8 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.477 -0.270 17588 4213 1 8 . 1 1 20 20 GLN C C 20 176.166 176.166 174.797 1.369 17588 4214 1 8 . 1 1 20 20 GLN CA C 20 56.409 56.409 55.679 0.730 17588 4215 1 8 . 1 1 20 20 GLN CB C 20 29.196 29.196 29.330 -0.134 17588 4216 1 8 . 1 1 20 20 GLN H H 20 8.174 8.174 8.290 -0.116 17588 4217 1 8 . 1 1 21 21 ALA N N 21 124.216 124.216 121.883 2.333 17588 4218 1 8 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.818 -0.564 17588 4219 1 8 . 1 1 21 21 ALA C C 21 178.034 178.034 175.980 2.054 17588 4220 1 8 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.260 1.866 17588 4221 1 8 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.532 -1.461 17588 4222 1 8 . 1 1 21 21 ALA H H 21 8.151 8.151 8.394 -0.243 17588 4223 1 8 . 1 1 22 22 ARG N N 22 119.591 119.591 118.454 1.137 17588 4224 1 8 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.444 -0.136 17588 4225 1 8 . 1 1 22 22 ARG C C 22 176.750 176.750 173.963 2.787 17588 4226 1 8 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.691 0.736 17588 4227 1 8 . 1 1 22 22 ARG CB C 22 30.616 30.616 30.548 0.068 17588 4228 1 8 . 1 1 22 22 ARG H H 22 8.147 8.147 8.356 -0.209 17588 4229 1 8 . 1 1 23 23 LEU N N 23 122.553 122.553 119.025 3.528 17588 4230 1 8 . 1 1 23 23 LEU HA H 23 4.274 4.274 5.079 -0.805 17588 4231 1 8 . 1 1 23 23 LEU C C 23 177.547 177.547 175.219 2.328 17588 4232 1 8 . 1 1 23 23 LEU CA C 23 55.690 55.690 53.791 1.899 17588 4233 1 8 . 1 1 23 23 LEU CB C 23 42.082 42.082 45.251 -3.169 17588 4234 1 8 . 1 1 23 23 LEU H H 23 8.220 8.220 8.826 -0.606 17588 4235 1 8 . 1 1 24 24 ASN N N 24 118.666 118.666 116.983 1.683 17588 4236 1 8 . 1 1 24 24 ASN HA H 24 4.673 4.673 5.190 -0.517 17588 4237 1 8 . 1 1 24 24 ASN C C 24 175.246 175.246 173.377 1.869 17588 4238 1 8 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.504 1.061 17588 4239 1 8 . 1 1 24 24 ASN CB C 24 38.836 38.836 41.253 -2.417 17588 4240 1 8 . 1 1 24 24 ASN H H 24 8.351 8.351 8.991 -0.640 17588 4241 1 8 . 1 1 25 25 ASP N N 25 120.897 120.897 119.404 1.493 17588 4242 1 8 . 1 1 25 25 ASP HA H 25 4.576 4.576 5.041 -0.465 17588 4243 1 8 . 1 1 25 25 ASP C C 25 176.732 176.732 174.550 2.182 17588 4244 1 8 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.740 0.966 17588 4245 1 8 . 1 1 25 25 ASP CB C 25 41.219 41.219 43.702 -2.483 17588 4246 1 8 . 1 1 25 25 ASP H H 25 8.234 8.234 8.623 -0.389 17588 4247 1 8 . 1 1 26 26 GLU N N 26 121.168 121.168 119.435 1.733 17588 4248 1 8 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.963 -0.749 17588 4249 1 8 . 1 1 26 26 GLU C C 26 176.857 176.857 174.398 2.459 17588 4250 1 8 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.778 1.470 17588 4251 1 8 . 1 1 26 26 GLU CB C 26 29.959 29.959 31.588 -1.629 17588 4252 1 8 . 1 1 26 26 GLU H H 26 8.368 8.368 8.779 -0.411 17588 4253 1 8 . 1 1 27 27 ALA N N 27 124.100 124.100 123.814 0.286 17588 4254 1 8 . 1 1 27 27 ALA HA H 27 4.317 4.317 5.193 -0.876 17588 4255 1 8 . 1 1 27 27 ALA C C 27 178.520 178.520 176.092 2.428 17588 4256 1 8 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.124 0.862 17588 4257 1 8 . 1 1 27 27 ALA CB C 27 18.945 18.945 20.965 -2.019 17588 4258 1 8 . 1 1 27 27 ALA H H 27 8.289 8.289 8.821 -0.532 17588 4259 1 8 . 1 1 28 28 GLY N N 28 107.844 107.844 106.902 0.942 17588 4260 1 8 . 1 1 28 28 GLY C C 28 175.019 175.019 173.769 1.250 17588 4261 1 8 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.090 0.537 17588 4262 1 8 . 1 1 28 28 GLY H H 28 8.315 8.315 8.576 -0.261 17588 4263 1 8 . 1 1 29 29 GLY N N 29 108.754 108.754 106.932 1.822 17588 4264 1 8 . 1 1 29 29 GLY C C 29 174.659 174.659 173.364 1.295 17588 4265 1 8 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.670 -0.184 17588 4266 1 8 . 1 1 29 29 GLY H H 29 8.266 8.266 8.156 0.110 17588 4267 1 8 . 1 1 30 30 THR N N 30 114.068 114.068 116.183 -2.115 17588 4268 1 8 . 1 1 30 30 THR HA H 30 4.301 4.301 4.045 0.256 17588 4269 1 8 . 1 1 30 30 THR C C 30 174.789 174.789 173.847 0.942 17588 4270 1 8 . 1 1 30 30 THR CA C 30 62.327 62.327 62.351 -0.024 17588 4271 1 8 . 1 1 30 30 THR CB C 30 69.553 69.553 68.594 0.959 17588 4272 1 8 . 1 1 30 30 THR H H 30 8.111 8.111 7.949 0.162 17588 4273 1 8 . 1 1 31 31 ARG N N 31 123.536 123.536 121.071 2.465 17588 4274 1 8 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.203 0.096 17588 4275 1 8 . 1 1 31 31 ARG C C 31 176.125 176.125 176.336 -0.211 17588 4276 1 8 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.639 0.823 17588 4277 1 8 . 1 1 31 31 ARG CB C 31 30.657 30.657 28.642 2.015 17588 4278 1 8 . 1 1 31 31 ARG H H 31 8.343 8.343 8.146 0.197 17588 4279 1 8 . 1 1 32 32 LEU N N 32 122.865 122.865 122.404 0.461 17588 4280 1 8 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.055 0.264 17588 4281 1 8 . 1 1 32 32 LEU C C 32 177.036 177.036 177.267 -0.231 17588 4282 1 8 . 1 1 32 32 LEU CA C 32 55.233 55.233 56.138 -0.905 17588 4283 1 8 . 1 1 32 32 LEU CB C 32 42.264 42.264 42.365 -0.101 17588 4284 1 8 . 1 1 32 32 LEU H H 32 8.203 8.203 7.825 0.378 17588 4285 1 8 . 1 1 33 33 LEU N N 33 123.054 123.054 121.997 1.057 17588 4286 1 8 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.656 -0.320 17588 4287 1 8 . 1 1 33 33 LEU C C 33 177.022 177.022 176.392 0.630 17588 4288 1 8 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.293 0.776 17588 4289 1 8 . 1 1 33 33 LEU CB C 33 42.288 42.288 43.423 -1.135 17588 4290 1 8 . 1 1 33 33 LEU H H 33 8.150 8.150 8.035 0.115 17588 4291 1 8 . 1 1 34 34 ARG N N 34 122.226 122.226 123.974 -1.748 17588 4292 1 8 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.643 -0.306 17588 4293 1 8 . 1 1 34 34 ARG C C 34 175.950 175.950 174.832 1.118 17588 4294 1 8 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.542 0.376 17588 4295 1 8 . 1 1 34 34 ARG CB C 34 30.781 30.781 31.045 -0.264 17588 4296 1 8 . 1 1 34 34 ARG H H 34 8.248 8.248 8.290 -0.042 17588 4297 1 8 . 1 1 35 35 VAL N N 35 121.294 121.294 120.282 1.012 17588 4298 1 8 . 1 1 35 35 VAL HA H 35 4.041 4.041 3.750 0.291 17588 4299 1 8 . 1 1 35 35 VAL C C 35 175.709 175.709 175.084 0.625 17588 4300 1 8 . 1 1 35 35 VAL CA C 35 62.240 62.240 61.761 0.478 17588 4301 1 8 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.591 0.162 17588 4302 1 8 . 1 1 35 35 VAL H H 35 8.107 8.107 8.246 -0.139 17588 4303 1 8 . 1 1 36 36 HIS N N 36 123.522 123.522 116.770 6.752 17588 4304 1 8 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.410 0.188 17588 4305 1 8 . 1 1 36 36 HIS C C 36 174.825 174.825 174.284 0.541 17588 4306 1 8 . 1 1 36 36 HIS CA C 36 56.111 56.111 55.865 0.246 17588 4307 1 8 . 1 1 36 36 HIS CB C 36 30.944 30.944 27.424 3.521 17588 4308 1 8 . 1 1 36 36 HIS H H 36 8.410 8.410 7.821 0.589 17588 4309 1 8 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.504 0.096 17588 4310 1 8 . 1 1 37 37 HIS C C 37 175.173 175.173 175.448 -0.275 17588 4311 1 8 . 1 1 37 37 HIS CA C 37 56.217 56.217 57.014 -0.797 17588 4312 1 8 . 1 1 37 37 HIS CB C 37 31.027 31.027 30.298 0.729 17588 4313 1 8 . 1 1 38 38 GLU N N 38 122.826 122.826 123.187 -0.361 17588 4314 1 8 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.561 -0.306 17588 4315 1 8 . 1 1 38 38 GLU C C 38 176.483 176.483 174.988 1.495 17588 4316 1 8 . 1 1 38 38 GLU CA C 38 56.919 56.919 56.188 0.731 17588 4317 1 8 . 1 1 38 38 GLU CB C 38 30.328 30.328 31.426 -1.098 17588 4318 1 8 . 1 1 38 38 GLU H H 38 8.569 8.569 8.765 -0.196 17588 4319 1 8 . 1 1 39 39 SER N N 39 116.398 116.398 116.035 0.363 17588 4320 1 8 . 1 1 39 39 SER HA H 39 4.454 4.454 4.582 -0.128 17588 4321 1 8 . 1 1 39 39 SER C C 39 174.497 174.497 173.057 1.440 17588 4322 1 8 . 1 1 39 39 SER CA C 39 58.552 58.552 57.924 0.628 17588 4323 1 8 . 1 1 39 39 SER CB C 39 64.028 64.028 64.596 -0.568 17588 4324 1 8 . 1 1 39 39 SER H H 39 8.444 8.444 8.364 0.080 17588 4325 1 8 . 1 1 40 40 ASP N N 40 122.831 122.831 122.230 0.601 17588 4326 1 8 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.636 0.036 17588 4327 1 8 . 1 1 40 40 ASP C C 40 176.783 176.783 175.604 1.179 17588 4328 1 8 . 1 1 40 40 ASP CA C 40 54.759 54.759 53.705 1.054 17588 4329 1 8 . 1 1 40 40 ASP CB C 40 41.014 41.014 40.576 0.438 17588 4330 1 8 . 1 1 40 40 ASP H H 40 8.469 8.469 8.737 -0.268 17588 4331 1 8 . 1 1 41 41 THR N N 41 113.679 113.679 121.708 -8.029 17588 4332 1 8 . 1 1 41 41 THR HA H 41 4.181 4.181 4.210 -0.029 17588 4333 1 8 . 1 1 41 41 THR C C 41 175.314 175.314 174.178 1.136 17588 4334 1 8 . 1 1 41 41 THR CA C 41 62.819 62.819 63.282 -0.463 17588 4335 1 8 . 1 1 41 41 THR CB C 41 69.576 69.576 68.654 0.922 17588 4336 1 8 . 1 1 41 41 THR H H 41 8.066 8.066 8.062 0.004 17588 4337 1 8 . 1 1 42 42 GLU N N 42 122.776 122.776 128.400 -5.624 17588 4338 1 8 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.575 -0.367 17588 4339 1 8 . 1 1 42 42 GLU C C 42 177.129 177.129 175.442 1.687 17588 4340 1 8 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.058 1.264 17588 4341 1 8 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.572 -0.572 17588 4342 1 8 . 1 1 42 42 GLU H H 42 8.343 8.343 8.008 0.335 17588 4343 1 8 . 1 1 43 43 GLU N N 43 121.898 121.898 121.612 0.286 17588 4344 1 8 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.627 -0.416 17588 4345 1 8 . 1 1 43 43 GLU C C 43 177.313 177.313 178.058 -0.745 17588 4346 1 8 . 1 1 43 43 GLU CA C 43 57.453 57.453 57.948 -0.495 17588 4347 1 8 . 1 1 43 43 GLU CB C 43 29.959 29.959 30.394 -0.435 17588 4348 1 8 . 1 1 43 43 GLU H H 43 8.397 8.397 8.759 -0.362 17588 4349 1 8 . 1 1 44 44 ARG N N 44 121.336 121.336 119.410 1.926 17588 4350 1 8 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.049 0.177 17588 4351 1 8 . 1 1 44 44 ARG C C 44 178.048 178.048 177.947 0.101 17588 4352 1 8 . 1 1 44 44 ARG CA C 44 57.779 57.779 59.042 -1.263 17588 4353 1 8 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.420 0.946 17588 4354 1 8 . 1 1 44 44 ARG H H 44 8.401 8.401 8.499 -0.098 17588 4355 1 8 . 1 1 45 45 GLY N N 45 109.098 109.098 106.554 2.544 17588 4356 1 8 . 1 1 45 45 GLY C C 45 175.522 175.522 175.325 0.197 17588 4357 1 8 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.016 1.384 17588 4358 1 8 . 1 1 45 45 GLY H H 45 8.536 8.536 8.168 0.368 17588 4359 1 8 . 1 1 46 46 PHE N N 46 121.592 121.592 123.766 -2.174 17588 4360 1 8 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.063 0.354 17588 4361 1 8 . 1 1 46 46 PHE C C 46 177.561 177.561 176.815 0.746 17588 4362 1 8 . 1 1 46 46 PHE CA C 46 60.080 60.080 60.243 -0.163 17588 4363 1 8 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.054 -0.143 17588 4364 1 8 . 1 1 46 46 PHE H H 46 8.071 8.071 8.251 -0.180 17588 4365 1 8 . 1 1 47 47 LEU N N 47 121.344 121.344 118.943 2.401 17588 4366 1 8 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.134 0.908 17588 4367 1 8 . 1 1 47 47 LEU C C 47 179.621 179.621 178.395 1.226 17588 4368 1 8 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.831 -0.371 17588 4369 1 8 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.368 0.269 17588 4370 1 8 . 1 1 47 47 LEU H H 47 8.215 8.215 7.746 0.469 17588 4371 1 8 . 1 1 48 48 GLU N N 48 121.986 121.986 119.264 2.722 17588 4372 1 8 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.574 0.414 17588 4373 1 8 . 1 1 48 48 GLU C C 48 177.573 177.573 178.189 -0.616 17588 4374 1 8 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.461 -0.154 17588 4375 1 8 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.203 0.445 17588 4376 1 8 . 1 1 48 48 GLU H H 48 8.225 8.225 7.940 0.285 17588 4377 1 8 . 1 1 49 49 LYS N N 49 118.759 118.759 118.356 0.403 17588 4378 1 8 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.255 -0.012 17588 4379 1 8 . 1 1 49 49 LYS C C 49 177.659 177.659 178.488 -0.829 17588 4380 1 8 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.225 0.661 17588 4381 1 8 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.284 0.018 17588 4382 1 8 . 1 1 49 49 LYS H H 49 7.790 7.790 7.968 -0.178 17588 4383 1 8 . 1 1 50 50 ALA N N 50 120.023 120.023 121.136 -1.113 17588 4384 1 8 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.818 0.141 17588 4385 1 8 . 1 1 50 50 ALA C C 50 180.486 180.486 179.217 1.269 17588 4386 1 8 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.844 0.038 17588 4387 1 8 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.636 0.241 17588 4388 1 8 . 1 1 50 50 ALA H H 50 7.798 7.798 7.751 0.047 17588 4389 1 8 . 1 1 51 51 ALA N N 51 121.955 121.955 121.313 0.642 17588 4390 1 8 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.847 0.266 17588 4391 1 8 . 1 1 51 51 ALA C C 51 180.762 180.762 179.469 1.293 17588 4392 1 8 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.078 0.033 17588 4393 1 8 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.036 0.005 17588 4394 1 8 . 1 1 51 51 ALA H H 51 7.809 7.809 8.072 -0.263 17588 4395 1 8 . 1 1 52 52 VAL N N 52 120.415 120.415 118.679 1.736 17588 4396 1 8 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.466 0.184 17588 4397 1 8 . 1 1 52 52 VAL C C 52 178.567 178.567 178.358 0.209 17588 4398 1 8 . 1 1 52 52 VAL CA C 52 67.227 67.227 67.397 -0.170 17588 4399 1 8 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.920 0.190 17588 4400 1 8 . 1 1 52 52 VAL H H 52 7.944 7.944 7.702 0.242 17588 4401 1 8 . 1 1 53 53 LYS N N 53 119.231 119.231 118.716 0.515 17588 4402 1 8 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.714 -0.150 17588 4403 1 8 . 1 1 53 53 LYS C C 53 178.546 178.546 178.880 -0.334 17588 4404 1 8 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.036 1.683 17588 4405 1 8 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.839 0.412 17588 4406 1 8 . 1 1 53 53 LYS H H 53 8.132 8.132 7.649 0.483 17588 4407 1 8 . 1 1 54 54 LYS N N 54 119.514 119.514 119.885 -0.371 17588 4408 1 8 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.872 0.121 17588 4409 1 8 . 1 1 54 54 LYS C C 54 179.987 179.987 179.110 0.877 17588 4410 1 8 . 1 1 54 54 LYS CA C 54 60.237 60.237 60.068 0.169 17588 4411 1 8 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.277 0.206 17588 4412 1 8 . 1 1 54 54 LYS H H 54 7.956 7.956 8.348 -0.392 17588 4413 1 8 . 1 1 55 55 MET N N 55 119.732 119.732 117.194 2.538 17588 4414 1 8 . 1 1 55 55 MET HA H 55 4.251 4.251 4.054 0.197 17588 4415 1 8 . 1 1 55 55 MET C C 55 177.536 177.536 178.569 -1.033 17588 4416 1 8 . 1 1 55 55 MET CA C 55 58.396 58.396 58.307 0.089 17588 4417 1 8 . 1 1 55 55 MET CB C 55 34.228 34.228 31.707 2.521 17588 4418 1 8 . 1 1 55 55 MET H H 55 7.816 7.816 8.258 -0.442 17588 4419 1 8 . 1 1 56 56 ALA N N 56 122.295 122.295 122.396 -0.101 17588 4420 1 8 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.094 0.058 17588 4421 1 8 . 1 1 56 56 ALA C C 56 179.615 179.615 179.730 -0.115 17588 4422 1 8 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.522 -0.184 17588 4423 1 8 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.082 1.024 17588 4424 1 8 . 1 1 56 56 ALA H H 56 8.724 8.724 7.977 0.747 17588 4425 1 8 . 1 1 57 57 LYS N N 57 117.704 117.704 119.044 -1.340 17588 4426 1 8 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.114 -0.030 17588 4427 1 8 . 1 1 57 57 LYS C C 57 179.358 179.358 178.977 0.381 17588 4428 1 8 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.617 0.357 17588 4429 1 8 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.520 -0.019 17588 4430 1 8 . 1 1 57 57 LYS H H 57 8.444 8.444 8.277 0.167 17588 4431 1 8 . 1 1 58 58 ALA N N 58 122.736 122.736 121.298 1.438 17588 4432 1 8 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.012 0.159 17588 4433 1 8 . 1 1 58 58 ALA C C 58 180.708 180.708 179.798 0.910 17588 4434 1 8 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.023 0.088 17588 4435 1 8 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.367 -0.819 17588 4436 1 8 . 1 1 58 58 ALA H H 58 7.701 7.701 7.676 0.025 17588 4437 1 8 . 1 1 59 59 ILE N N 59 117.672 117.672 118.679 -1.007 17588 4438 1 8 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.879 -0.206 17588 4439 1 8 . 1 1 59 59 ILE C C 59 177.728 177.728 178.138 -0.410 17588 4440 1 8 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.738 -0.760 17588 4441 1 8 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.882 -0.069 17588 4442 1 8 . 1 1 59 59 ILE H H 59 7.547 7.547 7.642 -0.095 17588 4443 1 8 . 1 1 60 60 MET N N 60 117.653 117.653 117.732 -0.079 17588 4444 1 8 . 1 1 60 60 MET HA H 60 4.098 4.098 4.035 0.063 17588 4445 1 8 . 1 1 60 60 MET C C 60 178.085 178.085 177.981 0.104 17588 4446 1 8 . 1 1 60 60 MET CA C 60 58.060 58.060 58.363 -0.303 17588 4447 1 8 . 1 1 60 60 MET CB C 60 32.178 32.178 32.240 -0.062 17588 4448 1 8 . 1 1 60 60 MET H H 60 7.718 7.718 7.967 -0.249 17588 4449 1 8 . 1 1 61 61 ALA N N 61 118.874 118.874 120.106 -1.232 17588 4450 1 8 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.293 -0.019 17588 4451 1 8 . 1 1 61 61 ALA C C 61 177.758 177.758 178.215 -0.457 17588 4452 1 8 . 1 1 61 61 ALA CA C 61 53.442 53.442 53.043 0.399 17588 4453 1 8 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.509 -0.442 17588 4454 1 8 . 1 1 61 61 ALA H H 61 7.513 7.513 8.052 -0.539 17588 4455 1 8 . 1 1 62 62 ASP N N 62 115.735 115.735 119.434 -3.699 17588 4456 1 8 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.146 -0.213 17588 4457 1 8 . 1 1 62 62 ASP C C 62 172.960 172.960 174.815 -1.855 17588 4458 1 8 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.314 -0.190 17588 4459 1 8 . 1 1 62 62 ASP CB C 62 41.384 41.384 40.871 0.513 17588 4460 1 8 . 1 1 62 62 ASP H H 62 7.615 7.615 7.745 -0.130 17588 4461 1 8 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.387 0.059 17588 4462 1 8 . 1 1 63 63 PRO C C 63 179.157 179.157 177.449 1.708 17588 4463 1 8 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.590 -0.191 17588 4464 1 8 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.231 0.029 17588 4465 1 8 . 1 1 64 64 ASN N N 64 115.566 115.566 115.438 0.128 17588 4466 1 8 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.493 0.059 17588 4467 1 8 . 1 1 64 64 ASN C C 64 176.867 176.867 177.224 -0.357 17588 4468 1 8 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.538 -0.217 17588 4469 1 8 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.667 0.234 17588 4470 1 8 . 1 1 64 64 ASN H H 64 8.094 8.094 8.630 -0.536 17588 4471 1 8 . 1 1 65 65 LYS N N 65 118.691 118.691 120.463 -1.772 17588 4472 1 8 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.026 0.152 17588 4473 1 8 . 1 1 65 65 LYS C C 65 175.844 175.844 178.017 -2.173 17588 4474 1 8 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.366 -2.132 17588 4475 1 8 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.885 0.992 17588 4476 1 8 . 1 1 65 65 LYS H H 65 8.185 8.185 7.502 0.683 17588 4477 1 8 . 1 1 66 66 ALA N N 66 120.147 120.147 122.006 -1.859 17588 4478 1 8 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.402 -0.360 17588 4479 1 8 . 1 1 66 66 ALA C C 66 176.697 176.697 178.933 -2.236 17588 4480 1 8 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.178 0.634 17588 4481 1 8 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.638 0.596 17588 4482 1 8 . 1 1 66 66 ALA H H 66 7.233 7.233 7.755 -0.522 17588 4483 1 8 . 1 1 67 67 ASP N N 67 114.524 114.524 118.554 -4.030 17588 4484 1 8 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.476 -0.303 17588 4485 1 8 . 1 1 67 67 ASP C C 67 178.071 178.071 179.138 -1.067 17588 4486 1 8 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.426 0.942 17588 4487 1 8 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.198 0.446 17588 4488 1 8 . 1 1 67 67 ASP H H 67 8.114 8.114 8.005 0.109 17588 4489 1 8 . 1 1 68 68 GLU N N 68 117.486 117.486 120.748 -3.262 17588 4490 1 8 . 1 1 68 68 GLU HA H 68 3.893 3.893 4.014 -0.121 17588 4491 1 8 . 1 1 68 68 GLU C C 68 178.885 178.885 178.703 0.182 17588 4492 1 8 . 1 1 68 68 GLU CA C 68 58.745 58.745 59.110 -0.365 17588 4493 1 8 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.479 0.182 17588 4494 1 8 . 1 1 68 68 GLU H H 68 7.846 7.846 7.801 0.045 17588 4495 1 8 . 1 1 69 69 VAL N N 69 120.957 120.957 120.418 0.539 17588 4496 1 8 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.128 -0.082 17588 4497 1 8 . 1 1 69 69 VAL C C 69 176.618 176.618 177.948 -1.330 17588 4498 1 8 . 1 1 69 69 VAL CA C 69 66.453 66.453 66.910 -0.457 17588 4499 1 8 . 1 1 69 69 VAL CB C 69 31.039 31.039 31.172 -0.133 17588 4500 1 8 . 1 1 69 69 VAL H H 69 7.325 7.325 7.765 -0.440 17588 4501 1 8 . 1 1 70 70 TYR N N 70 117.638 117.638 116.789 0.849 17588 4502 1 8 . 1 1 70 70 TYR HA H 70 4.175 4.175 3.980 0.195 17588 4503 1 8 . 1 1 70 70 TYR C C 70 178.493 178.493 177.999 0.494 17588 4504 1 8 . 1 1 70 70 TYR CA C 70 57.481 57.481 61.011 -3.530 17588 4505 1 8 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.827 -2.964 17588 4506 1 8 . 1 1 70 70 TYR H H 70 8.483 8.483 8.103 0.380 17588 4507 1 8 . 1 1 71 71 LYS N N 71 117.283 117.283 118.182 -0.899 17588 4508 1 8 . 1 1 71 71 LYS HA H 71 4.214 4.214 3.991 0.223 17588 4509 1 8 . 1 1 71 71 LYS C C 71 178.790 178.790 178.910 -0.120 17588 4510 1 8 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.472 0.321 17588 4511 1 8 . 1 1 71 71 LYS CB C 71 32.507 32.507 31.823 0.684 17588 4512 1 8 . 1 1 71 71 LYS H H 71 7.754 7.754 7.731 0.023 17588 4513 1 8 . 1 1 72 72 LYS N N 72 120.053 120.053 121.178 -1.125 17588 4514 1 8 . 1 1 72 72 LYS HA H 72 4.141 4.141 4.028 0.113 17588 4515 1 8 . 1 1 72 72 LYS C C 72 180.399 180.399 178.977 1.422 17588 4516 1 8 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.644 0.084 17588 4517 1 8 . 1 1 72 72 LYS CB C 72 32.014 32.014 31.858 0.156 17588 4518 1 8 . 1 1 72 72 LYS H H 72 7.386 7.386 7.874 -0.488 17588 4519 1 8 . 1 1 73 73 TRP N N 73 121.910 121.910 119.672 2.238 17588 4520 1 8 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.465 0.048 17588 4521 1 8 . 1 1 73 73 TRP C C 73 177.981 177.981 178.676 -0.695 17588 4522 1 8 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.437 -1.522 17588 4523 1 8 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.291 1.271 17588 4524 1 8 . 1 1 73 73 TRP H H 73 8.659 8.659 7.741 0.918 17588 4525 1 8 . 1 1 74 74 ALA N N 74 123.471 123.471 120.781 2.690 17588 4526 1 8 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.195 0.297 17588 4527 1 8 . 1 1 74 74 ALA C C 74 182.881 182.881 179.903 2.978 17588 4528 1 8 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.000 0.349 17588 4529 1 8 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.434 -0.042 17588 4530 1 8 . 1 1 74 74 ALA H H 74 9.137 9.137 7.885 1.252 17588 4531 1 8 . 1 1 75 75 ASP N N 75 121.896 121.896 117.843 4.053 17588 4532 1 8 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.446 0.018 17588 4533 1 8 . 1 1 75 75 ASP C C 75 178.714 178.714 178.613 0.101 17588 4534 1 8 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.401 0.693 17588 4535 1 8 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.696 -0.111 17588 4536 1 8 . 1 1 75 75 ASP H H 75 8.804 8.804 7.932 0.872 17588 4537 1 8 . 1 1 76 76 LYS N N 76 118.966 118.966 117.693 1.273 17588 4538 1 8 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.052 -0.023 17588 4539 1 8 . 1 1 76 76 LYS C C 76 176.868 176.868 177.664 -0.796 17588 4540 1 8 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.898 -0.401 17588 4541 1 8 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.866 -1.181 17588 4542 1 8 . 1 1 76 76 LYS H H 76 7.630 7.630 7.964 -0.334 17588 4543 1 8 . 1 1 77 77 GLY N N 77 107.310 107.310 105.401 1.909 17588 4544 1 8 . 1 1 77 77 GLY C C 77 175.407 175.407 173.877 1.530 17588 4545 1 8 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.690 0.499 17588 4546 1 8 . 1 1 77 77 GLY H H 77 7.901 7.901 7.629 0.272 17588 4547 1 8 . 1 1 78 78 TYR N N 78 117.917 117.917 120.214 -2.297 17588 4548 1 8 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.795 0.497 17588 4549 1 8 . 1 1 78 78 TYR C C 78 178.422 178.422 175.348 3.074 17588 4550 1 8 . 1 1 78 78 TYR CA C 78 55.545 55.545 55.751 -0.206 17588 4551 1 8 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.285 -3.504 17588 4552 1 8 . 1 1 78 78 TYR H H 78 7.506 7.506 7.439 0.067 17588 4553 1 8 . 1 1 79 79 THR N N 79 119.420 119.420 111.943 7.477 17588 4554 1 8 . 1 1 79 79 THR HA H 79 4.518 4.518 4.835 -0.317 17588 4555 1 8 . 1 1 79 79 THR C C 79 175.648 175.648 174.992 0.656 17588 4556 1 8 . 1 1 79 79 THR CA C 79 60.027 60.027 60.662 -0.635 17588 4557 1 8 . 1 1 79 79 THR CB C 79 71.622 71.622 70.354 1.268 17588 4558 1 8 . 1 1 79 79 THR H H 79 8.957 8.957 8.321 0.636 17588 4559 1 8 . 1 1 80 80 LEU N N 80 119.655 119.655 124.601 -4.946 17588 4560 1 8 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.056 0.124 17588 4561 1 8 . 1 1 80 80 LEU C C 80 180.085 180.085 178.495 1.590 17588 4562 1 8 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.803 0.110 17588 4563 1 8 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.806 -2.153 17588 4564 1 8 . 1 1 80 80 LEU H H 80 9.005 9.005 8.872 0.133 17588 4565 1 8 . 1 1 81 81 THR N N 81 115.259 115.259 112.759 2.500 17588 4566 1 8 . 1 1 81 81 THR HA H 81 3.939 3.939 3.902 0.037 17588 4567 1 8 . 1 1 81 81 THR C C 81 177.000 177.000 176.762 0.238 17588 4568 1 8 . 1 1 81 81 THR CA C 81 66.349 66.349 65.921 0.428 17588 4569 1 8 . 1 1 81 81 THR CB C 81 68.591 68.591 67.966 0.625 17588 4570 1 8 . 1 1 81 81 THR H H 81 8.135 8.135 8.171 -0.036 17588 4571 1 8 . 1 1 82 82 GLN N N 82 121.304 121.304 119.832 1.472 17588 4572 1 8 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.792 -0.139 17588 4573 1 8 . 1 1 82 82 GLN C C 82 178.354 178.354 177.800 0.554 17588 4574 1 8 . 1 1 82 82 GLN CA C 82 58.640 58.640 57.461 1.179 17588 4575 1 8 . 1 1 82 82 GLN CB C 82 28.914 28.914 27.978 0.936 17588 4576 1 8 . 1 1 82 82 GLN H H 82 7.641 7.641 7.803 -0.162 17588 4577 1 8 . 1 1 83 83 MET N N 83 117.464 117.464 119.921 -2.457 17588 4578 1 8 . 1 1 83 83 MET HA H 83 4.425 4.425 3.904 0.521 17588 4579 1 8 . 1 1 83 83 MET C C 83 177.906 177.906 178.228 -0.322 17588 4580 1 8 . 1 1 83 83 MET CA C 83 55.462 55.462 57.996 -2.534 17588 4581 1 8 . 1 1 83 83 MET CB C 83 29.014 29.014 32.045 -3.031 17588 4582 1 8 . 1 1 83 83 MET H H 83 8.665 8.665 8.403 0.262 17588 4583 1 8 . 1 1 84 84 SER N N 84 114.879 114.879 114.224 0.655 17588 4584 1 8 . 1 1 84 84 SER HA H 84 3.689 3.689 3.850 -0.161 17588 4585 1 8 . 1 1 84 84 SER C C 84 176.666 176.666 175.747 0.919 17588 4586 1 8 . 1 1 84 84 SER CA C 84 61.347 61.347 61.544 -0.197 17588 4587 1 8 . 1 1 84 84 SER CB C 84 62.356 62.356 62.879 -0.523 17588 4588 1 8 . 1 1 84 84 SER H H 84 8.607 8.607 8.183 0.424 17588 4589 1 8 . 1 1 85 85 ASN N N 85 117.904 117.904 117.020 0.884 17588 4590 1 8 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.304 0.111 17588 4591 1 8 . 1 1 85 85 ASN C C 85 177.997 177.997 177.178 0.819 17588 4592 1 8 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.669 0.284 17588 4593 1 8 . 1 1 85 85 ASN CB C 85 38.260 38.260 38.046 0.214 17588 4594 1 8 . 1 1 85 85 ASN H H 85 7.204 7.204 7.515 -0.311 17588 4595 1 8 . 1 1 86 86 PHE N N 86 118.316 118.316 116.982 1.334 17588 4596 1 8 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.339 0.089 17588 4597 1 8 . 1 1 86 86 PHE C C 86 177.478 177.478 177.129 0.349 17588 4598 1 8 . 1 1 86 86 PHE CA C 86 58.394 58.394 59.260 -0.866 17588 4599 1 8 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.975 -0.140 17588 4600 1 8 . 1 1 86 86 PHE H H 86 8.367 8.367 7.365 1.002 17588 4601 1 8 . 1 1 87 87 LEU N N 87 112.533 112.533 116.587 -4.054 17588 4602 1 8 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.095 0.005 17588 4603 1 8 . 1 1 87 87 LEU C C 87 176.474 176.474 175.265 1.209 17588 4604 1 8 . 1 1 87 87 LEU CA C 87 54.549 54.549 54.182 0.367 17588 4605 1 8 . 1 1 87 87 LEU CB C 87 41.371 41.371 40.465 0.906 17588 4606 1 8 . 1 1 87 87 LEU H H 87 7.778 7.778 7.839 -0.061 17588 4607 1 8 . 1 1 88 88 LYS N N 88 119.798 119.798 119.745 0.053 17588 4608 1 8 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.438 -0.190 17588 4609 1 8 . 1 1 88 88 LYS C C 88 176.594 176.594 176.065 0.529 17588 4610 1 8 . 1 1 88 88 LYS CA C 88 57.674 57.674 55.054 2.619 17588 4611 1 8 . 1 1 88 88 LYS CB C 88 32.671 32.671 31.892 0.779 17588 4612 1 8 . 1 1 88 88 LYS H H 88 7.328 7.328 7.461 -0.133 17588 4613 1 8 . 1 1 89 89 SER N N 89 117.937 117.937 118.845 -0.908 17588 4614 1 8 . 1 1 89 89 SER HA H 89 4.785 4.785 4.460 0.325 17588 4615 1 8 . 1 1 89 89 SER CA C 89 57.375 57.375 58.328 -0.953 17588 4616 1 8 . 1 1 89 89 SER CB C 89 64.838 64.838 62.499 2.339 17588 4617 1 8 . 1 1 89 89 SER H H 89 8.197 8.197 8.767 -0.570 17588 4618 1 8 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.968 0.186 17588 4619 1 8 . 1 1 90 90 LYS C C 90 177.472 177.472 174.703 2.769 17588 4620 1 8 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.501 0.893 17588 4621 1 8 . 1 1 90 90 LYS CB C 90 31.767 31.767 30.116 1.651 17588 4622 1 8 . 1 1 90 90 LYS H H 90 7.981 7.981 8.258 -0.277 17588 4623 1 8 . 1 1 91 91 THR N N 91 113.435 113.435 112.842 0.593 17588 4624 1 8 . 1 1 91 91 THR HA H 91 4.342 4.342 4.426 -0.084 17588 4625 1 8 . 1 1 91 91 THR C C 91 174.236 174.236 173.764 0.472 17588 4626 1 8 . 1 1 91 91 THR CA C 91 61.203 61.203 61.561 -0.358 17588 4627 1 8 . 1 1 91 91 THR CB C 91 69.254 69.254 70.959 -1.705 17588 4628 1 8 . 1 1 91 91 THR H H 91 7.942 7.942 7.560 0.382 17588 4629 1 8 . 1 1 92 92 ALA N N 92 129.685 129.685 126.983 2.702 17588 4630 1 8 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.372 -0.194 17588 4631 1 8 . 1 1 92 92 ALA C C 92 178.710 178.710 177.177 1.533 17588 4632 1 8 . 1 1 92 92 ALA CA C 92 53.583 53.583 52.405 1.178 17588 4633 1 8 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.119 -0.038 17588 4634 1 8 . 1 1 92 92 ALA H H 92 8.603 8.603 8.590 0.013 17588 4635 1 8 . 1 1 93 93 GLY N N 93 109.919 109.919 107.572 2.347 17588 4636 1 8 . 1 1 93 93 GLY C C 93 176.310 176.310 173.861 2.449 17588 4637 1 8 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.007 0.498 17588 4638 1 8 . 1 1 93 93 GLY H H 93 8.823 8.823 7.982 0.841 17588 4639 1 8 . 1 1 94 94 LYS N N 94 120.949 120.949 122.744 -1.795 17588 4640 1 8 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.309 -0.517 17588 4641 1 8 . 1 1 94 94 LYS C C 94 177.630 177.630 176.877 0.753 17588 4642 1 8 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.482 3.124 17588 4643 1 8 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.568 -0.322 17588 4644 1 8 . 1 1 94 94 LYS H H 94 7.501 7.501 8.372 -0.871 17588 4645 1 8 . 1 1 95 95 TYR N N 95 113.034 113.034 118.826 -5.792 17588 4646 1 8 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.845 0.202 17588 4647 1 8 . 1 1 95 95 TYR C C 95 176.649 176.649 175.179 1.470 17588 4648 1 8 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.888 0.048 17588 4649 1 8 . 1 1 95 95 TYR CB C 95 39.000 39.000 38.818 0.182 17588 4650 1 8 . 1 1 95 95 TYR H H 95 8.670 8.670 8.560 0.110 17588 4651 1 8 . 1 1 96 96 ASP N N 96 123.097 123.097 122.718 0.379 17588 4652 1 8 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.529 -0.200 17588 4653 1 8 . 1 1 96 96 ASP C C 96 178.087 178.087 178.244 -0.157 17588 4654 1 8 . 1 1 96 96 ASP CA C 96 58.619 58.619 57.973 0.646 17588 4655 1 8 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.928 -1.359 17588 4656 1 8 . 1 1 96 96 ASP H H 96 7.756 7.756 8.491 -0.735 17588 4657 1 8 . 1 1 97 97 ARG N N 97 118.384 118.384 119.672 -1.288 17588 4658 1 8 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.153 0.109 17588 4659 1 8 . 1 1 97 97 ARG C C 97 179.927 179.927 178.635 1.292 17588 4660 1 8 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.469 0.277 17588 4661 1 8 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.678 0.116 17588 4662 1 8 . 1 1 97 97 ARG H H 97 8.897 8.897 8.733 0.164 17588 4663 1 8 . 1 1 98 98 VAL N N 98 119.642 119.642 117.868 1.774 17588 4664 1 8 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.162 -0.224 17588 4665 1 8 . 1 1 98 98 VAL C C 98 179.630 179.630 178.505 1.125 17588 4666 1 8 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.935 -0.131 17588 4667 1 8 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.660 0.394 17588 4668 1 8 . 1 1 98 98 VAL H H 98 7.578 7.578 8.044 -0.466 17588 4669 1 8 . 1 1 99 99 TYR N N 99 122.432 122.432 121.254 1.178 17588 4670 1 8 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.077 -0.143 17588 4671 1 8 . 1 1 99 99 TYR C C 99 176.400 176.400 177.932 -1.532 17588 4672 1 8 . 1 1 99 99 TYR CA C 99 62.906 62.906 62.090 0.816 17588 4673 1 8 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.403 -0.081 17588 4674 1 8 . 1 1 99 99 TYR H H 99 8.635 8.635 8.932 -0.297 17588 4675 1 8 . 1 1 100 100 ASN N N 100 117.211 117.211 117.171 0.040 17588 4676 1 8 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.178 0.108 17588 4677 1 8 . 1 1 100 100 ASN C C 100 178.488 178.488 177.632 0.856 17588 4678 1 8 . 1 1 100 100 ASN CA C 100 55.856 55.856 57.325 -1.469 17588 4679 1 8 . 1 1 100 100 ASN CB C 100 37.849 37.849 38.160 -0.311 17588 4680 1 8 . 1 1 100 100 ASN H H 100 9.024 9.024 8.832 0.192 17588 4681 1 8 . 1 1 101 101 GLY N N 101 105.413 105.413 108.206 -2.793 17588 4682 1 8 . 1 1 101 101 GLY C C 101 175.833 175.833 175.831 0.002 17588 4683 1 8 . 1 1 101 101 GLY CA C 101 47.032 47.032 46.857 0.175 17588 4684 1 8 . 1 1 101 101 GLY H H 101 7.908 7.908 7.735 0.173 17588 4685 1 8 . 1 1 102 102 TYR N N 102 126.373 126.373 123.609 2.764 17588 4686 1 8 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.928 -0.461 17588 4687 1 8 . 1 1 102 102 TYR C C 102 176.016 176.016 177.889 -1.873 17588 4688 1 8 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.259 -0.706 17588 4689 1 8 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.296 -0.406 17588 4690 1 8 . 1 1 102 102 TYR H H 102 7.581 7.581 7.555 0.026 17588 4691 1 8 . 1 1 103 103 VAL N N 103 117.870 117.870 117.097 0.773 17588 4692 1 8 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.340 -0.198 17588 4693 1 8 . 1 1 103 103 VAL C C 103 178.786 178.786 178.149 0.637 17588 4694 1 8 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.786 -0.209 17588 4695 1 8 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.807 0.940 17588 4696 1 8 . 1 1 103 103 VAL H H 103 7.510 7.510 7.671 -0.161 17588 4697 1 8 . 1 1 104 104 ILE N N 104 116.770 116.770 118.940 -2.170 17588 4698 1 8 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.535 0.157 17588 4699 1 8 . 1 1 104 104 ILE C C 104 178.703 178.703 177.631 1.072 17588 4700 1 8 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.656 -0.819 17588 4701 1 8 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.555 0.377 17588 4702 1 8 . 1 1 104 104 ILE H H 104 7.056 7.056 7.516 -0.460 17588 4703 1 8 . 1 1 105 105 HIS N N 105 121.324 121.324 119.250 2.074 17588 4704 1 8 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.109 -0.157 17588 4705 1 8 . 1 1 105 105 HIS C C 105 176.974 176.974 178.004 -1.030 17588 4706 1 8 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.958 0.192 17588 4707 1 8 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.829 0.695 17588 4708 1 8 . 1 1 105 105 HIS H H 105 7.864 7.864 7.866 -0.002 17588 4709 1 8 . 1 1 106 106 LEU N N 106 115.126 115.126 119.432 -4.306 17588 4710 1 8 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.224 -0.389 17588 4711 1 8 . 1 1 106 106 LEU C C 106 177.315 177.315 178.494 -1.179 17588 4712 1 8 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.584 -1.877 17588 4713 1 8 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.747 0.294 17588 4714 1 8 . 1 1 106 106 LEU H H 106 7.517 7.517 7.884 -0.367 17588 4715 1 8 . 1 1 107 107 ASP N N 107 119.221 119.221 119.071 0.150 17588 4716 1 8 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.297 0.204 17588 4717 1 8 . 1 1 107 107 ASP C C 107 175.224 175.224 176.977 -1.753 17588 4718 1 8 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.994 -1.376 17588 4719 1 8 . 1 1 107 107 ASP CB C 107 40.765 40.765 41.027 -0.262 17588 4720 1 8 . 1 1 107 107 ASP H H 107 7.512 7.512 7.614 -0.102 17588 4721 1 9 . 1 1 6 6 SER HA H 6 4.480 4.480 4.788 -0.308 17588 4722 1 9 . 1 1 6 6 SER C C 6 174.995 174.995 173.783 1.212 17588 4723 1 9 . 1 1 6 6 SER CA C 6 58.675 58.675 58.144 0.531 17588 4724 1 9 . 1 1 6 6 SER CB C 6 63.822 63.822 64.854 -1.032 17588 4725 1 9 . 1 1 7 7 GLY N N 7 110.458 110.458 111.015 -0.557 17588 4726 1 9 . 1 1 7 7 GLY C C 7 173.853 173.853 173.017 0.836 17588 4727 1 9 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.916 -0.569 17588 4728 1 9 . 1 1 7 7 GLY H H 7 8.394 8.394 8.439 -0.045 17588 4729 1 9 . 1 1 8 8 ASN N N 8 119.020 119.020 120.111 -1.091 17588 4730 1 9 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.977 -0.220 17588 4731 1 9 . 1 1 8 8 ASN C C 8 175.389 175.389 174.212 1.177 17588 4732 1 9 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.623 0.608 17588 4733 1 9 . 1 1 8 8 ASN CB C 8 38.959 38.959 40.593 -1.634 17588 4734 1 9 . 1 1 8 8 ASN H H 8 8.308 8.308 8.348 -0.040 17588 4735 1 9 . 1 1 9 9 VAL N N 9 120.281 120.281 121.409 -1.128 17588 4736 1 9 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.249 -0.134 17588 4737 1 9 . 1 1 9 9 VAL C C 9 175.980 175.980 174.893 1.087 17588 4738 1 9 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.358 0.110 17588 4739 1 9 . 1 1 9 9 VAL CB C 9 32.712 32.712 32.868 -0.156 17588 4740 1 9 . 1 1 9 9 VAL H H 9 8.173 8.173 8.360 -0.187 17588 4741 1 9 . 1 1 10 10 ASP N N 10 123.840 123.840 125.852 -2.012 17588 4742 1 9 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.772 -0.148 17588 4743 1 9 . 1 1 10 10 ASP C C 10 176.599 176.599 175.484 1.115 17588 4744 1 9 . 1 1 10 10 ASP CA C 10 54.390 54.390 54.171 0.219 17588 4745 1 9 . 1 1 10 10 ASP CB C 10 41.343 41.343 41.928 -0.586 17588 4746 1 9 . 1 1 10 10 ASP H H 10 8.418 8.418 8.444 -0.026 17588 4747 1 9 . 1 1 11 11 SER N N 11 117.003 117.003 118.329 -1.326 17588 4748 1 9 . 1 1 11 11 SER HA H 11 4.395 4.395 4.670 -0.275 17588 4749 1 9 . 1 1 11 11 SER C C 11 174.834 174.834 173.996 0.838 17588 4750 1 9 . 1 1 11 11 SER CA C 11 58.886 58.886 57.965 0.921 17588 4751 1 9 . 1 1 11 11 SER CB C 11 63.740 63.740 64.197 -0.457 17588 4752 1 9 . 1 1 11 11 SER H H 11 8.312 8.312 8.553 -0.241 17588 4753 1 9 . 1 1 12 12 ASN N N 12 120.512 120.512 122.990 -2.478 17588 4754 1 9 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.921 -0.236 17588 4755 1 9 . 1 1 12 12 ASN C C 12 175.646 175.646 174.551 1.095 17588 4756 1 9 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.814 0.979 17588 4757 1 9 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.749 -1.119 17588 4758 1 9 . 1 1 12 12 ASN H H 12 8.511 8.511 8.496 0.015 17588 4759 1 9 . 1 1 13 13 GLN N N 13 120.057 120.057 120.237 -0.180 17588 4760 1 9 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.522 -0.284 17588 4761 1 9 . 1 1 13 13 GLN C C 13 175.988 175.988 174.608 1.380 17588 4762 1 9 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.598 0.849 17588 4763 1 9 . 1 1 13 13 GLN CB C 13 29.137 29.137 29.809 -0.672 17588 4764 1 9 . 1 1 13 13 GLN H H 13 8.258 8.258 8.329 -0.071 17588 4765 1 9 . 1 1 14 14 ASN N N 14 119.323 119.323 119.428 -0.105 17588 4766 1 9 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.804 -0.119 17588 4767 1 9 . 1 1 14 14 ASN C C 14 175.552 175.552 173.994 1.558 17588 4768 1 9 . 1 1 14 14 ASN CA C 14 53.565 53.565 53.531 0.034 17588 4769 1 9 . 1 1 14 14 ASN CB C 14 38.763 38.763 39.438 -0.675 17588 4770 1 9 . 1 1 14 14 ASN H H 14 8.377 8.377 8.753 -0.376 17588 4771 1 9 . 1 1 15 15 LYS N N 15 121.938 121.938 120.929 1.009 17588 4772 1 9 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.535 -0.321 17588 4773 1 9 . 1 1 15 15 LYS C C 15 176.933 176.933 174.801 2.132 17588 4774 1 9 . 1 1 15 15 LYS CA C 15 57.235 57.235 56.367 0.868 17588 4775 1 9 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.826 -1.073 17588 4776 1 9 . 1 1 15 15 LYS H H 15 8.224 8.224 8.315 -0.091 17588 4777 1 9 . 1 1 16 16 ALA N N 16 123.956 123.956 123.537 0.419 17588 4778 1 9 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.744 -0.470 17588 4779 1 9 . 1 1 16 16 ALA C C 16 178.593 178.593 175.829 2.764 17588 4780 1 9 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.184 2.259 17588 4781 1 9 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.517 -1.654 17588 4782 1 9 . 1 1 16 16 ALA H H 16 8.292 8.292 8.480 -0.188 17588 4783 1 9 . 1 1 17 17 SER N N 17 114.462 114.462 116.915 -2.453 17588 4784 1 9 . 1 1 17 17 SER HA H 17 4.365 4.365 4.489 -0.124 17588 4785 1 9 . 1 1 17 17 SER C C 17 175.370 175.370 174.983 0.387 17588 4786 1 9 . 1 1 17 17 SER CA C 17 59.077 59.077 58.376 0.702 17588 4787 1 9 . 1 1 17 17 SER CB C 17 63.383 63.383 62.922 0.461 17588 4788 1 9 . 1 1 17 17 SER H H 17 8.200 8.200 8.353 -0.153 17588 4789 1 9 . 1 1 18 18 MET N N 18 121.999 121.999 124.317 -2.318 17588 4790 1 9 . 1 1 18 18 MET HA H 18 4.429 4.429 4.323 0.106 17588 4791 1 9 . 1 1 18 18 MET C C 18 176.829 176.829 177.026 -0.197 17588 4792 1 9 . 1 1 18 18 MET CA C 18 56.357 56.357 56.290 0.067 17588 4793 1 9 . 1 1 18 18 MET CB C 18 32.630 32.630 33.160 -0.529 17588 4794 1 9 . 1 1 18 18 MET H H 18 8.214 8.214 8.672 -0.458 17588 4795 1 9 . 1 1 19 19 LEU N N 19 122.083 122.083 121.707 0.376 17588 4796 1 9 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.504 -0.248 17588 4797 1 9 . 1 1 19 19 LEU C C 19 177.774 177.774 177.107 0.667 17588 4798 1 9 . 1 1 19 19 LEU CA C 19 56.111 56.111 56.067 0.044 17588 4799 1 9 . 1 1 19 19 LEU CB C 19 42.041 42.041 42.181 -0.140 17588 4800 1 9 . 1 1 19 19 LEU H H 19 8.076 8.076 8.142 -0.066 17588 4801 1 9 . 1 1 20 20 GLN N N 20 120.123 120.123 120.777 -0.654 17588 4802 1 9 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.163 0.044 17588 4803 1 9 . 1 1 20 20 GLN C C 20 176.166 176.166 174.430 1.736 17588 4804 1 9 . 1 1 20 20 GLN CA C 20 56.409 56.409 56.372 0.037 17588 4805 1 9 . 1 1 20 20 GLN CB C 20 29.196 29.196 29.322 -0.126 17588 4806 1 9 . 1 1 20 20 GLN H H 20 8.174 8.174 8.265 -0.091 17588 4807 1 9 . 1 1 21 21 ALA N N 21 124.216 124.216 128.964 -4.748 17588 4808 1 9 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.565 -0.311 17588 4809 1 9 . 1 1 21 21 ALA C C 21 178.034 178.034 176.377 1.657 17588 4810 1 9 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.490 1.636 17588 4811 1 9 . 1 1 21 21 ALA CB C 21 19.071 19.071 21.385 -2.314 17588 4812 1 9 . 1 1 21 21 ALA H H 21 8.151 8.151 8.335 -0.184 17588 4813 1 9 . 1 1 22 22 ARG N N 22 119.591 119.591 124.718 -5.127 17588 4814 1 9 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.477 -0.169 17588 4815 1 9 . 1 1 22 22 ARG C C 22 176.750 176.750 176.013 0.737 17588 4816 1 9 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.950 0.477 17588 4817 1 9 . 1 1 22 22 ARG CB C 22 30.616 30.616 29.201 1.415 17588 4818 1 9 . 1 1 22 22 ARG H H 22 8.147 8.147 8.601 -0.454 17588 4819 1 9 . 1 1 23 23 LEU N N 23 122.553 122.553 125.673 -3.120 17588 4820 1 9 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.194 0.080 17588 4821 1 9 . 1 1 23 23 LEU C C 23 177.547 177.547 177.026 0.521 17588 4822 1 9 . 1 1 23 23 LEU CA C 23 55.690 55.690 55.627 0.063 17588 4823 1 9 . 1 1 23 23 LEU CB C 23 42.082 42.082 42.277 -0.195 17588 4824 1 9 . 1 1 23 23 LEU H H 23 8.220 8.220 8.634 -0.414 17588 4825 1 9 . 1 1 24 24 ASN N N 24 118.666 118.666 116.192 2.474 17588 4826 1 9 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.863 -0.190 17588 4827 1 9 . 1 1 24 24 ASN C C 24 175.246 175.246 174.467 0.779 17588 4828 1 9 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.602 0.963 17588 4829 1 9 . 1 1 24 24 ASN CB C 24 38.836 38.836 39.860 -1.024 17588 4830 1 9 . 1 1 24 24 ASN H H 24 8.351 8.351 7.976 0.375 17588 4831 1 9 . 1 1 25 25 ASP N N 25 120.897 120.897 121.826 -0.929 17588 4832 1 9 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.733 -0.157 17588 4833 1 9 . 1 1 25 25 ASP C C 25 176.732 176.732 175.753 0.979 17588 4834 1 9 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.830 0.876 17588 4835 1 9 . 1 1 25 25 ASP CB C 25 41.219 41.219 40.360 0.859 17588 4836 1 9 . 1 1 25 25 ASP H H 25 8.234 8.234 8.552 -0.318 17588 4837 1 9 . 1 1 26 26 GLU N N 26 121.168 121.168 116.351 4.817 17588 4838 1 9 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.004 0.210 17588 4839 1 9 . 1 1 26 26 GLU C C 26 176.857 176.857 176.177 0.680 17588 4840 1 9 . 1 1 26 26 GLU CA C 26 57.247 57.247 56.748 0.499 17588 4841 1 9 . 1 1 26 26 GLU CB C 26 29.959 29.959 28.068 1.891 17588 4842 1 9 . 1 1 26 26 GLU H H 26 8.368 8.368 7.732 0.636 17588 4843 1 9 . 1 1 27 27 ALA N N 27 124.100 124.100 122.233 1.867 17588 4844 1 9 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.143 0.174 17588 4845 1 9 . 1 1 27 27 ALA C C 27 178.520 178.520 178.599 -0.079 17588 4846 1 9 . 1 1 27 27 ALA CA C 27 52.986 52.986 53.753 -0.767 17588 4847 1 9 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.196 -0.251 17588 4848 1 9 . 1 1 27 27 ALA H H 27 8.289 8.289 8.332 -0.043 17588 4849 1 9 . 1 1 28 28 GLY N N 28 107.844 107.844 105.060 2.784 17588 4850 1 9 . 1 1 28 28 GLY C C 28 175.019 175.019 172.779 2.240 17588 4851 1 9 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.111 0.517 17588 4852 1 9 . 1 1 28 28 GLY H H 28 8.315 8.315 8.112 0.203 17588 4853 1 9 . 1 1 29 29 GLY N N 29 108.754 108.754 108.417 0.337 17588 4854 1 9 . 1 1 29 29 GLY C C 29 174.659 174.659 174.002 0.657 17588 4855 1 9 . 1 1 29 29 GLY CA C 29 45.487 45.487 44.883 0.604 17588 4856 1 9 . 1 1 29 29 GLY H H 29 8.266 8.266 8.123 0.143 17588 4857 1 9 . 1 1 30 30 THR N N 30 114.068 114.068 113.788 0.280 17588 4858 1 9 . 1 1 30 30 THR HA H 30 4.301 4.301 4.538 -0.237 17588 4859 1 9 . 1 1 30 30 THR C C 30 174.789 174.789 175.429 -0.640 17588 4860 1 9 . 1 1 30 30 THR CA C 30 62.327 62.327 60.783 1.544 17588 4861 1 9 . 1 1 30 30 THR CB C 30 69.553 69.553 70.479 -0.926 17588 4862 1 9 . 1 1 30 30 THR H H 30 8.111 8.111 8.191 -0.080 17588 4863 1 9 . 1 1 31 31 ARG N N 31 123.536 123.536 122.781 0.755 17588 4864 1 9 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.489 -0.190 17588 4865 1 9 . 1 1 31 31 ARG C C 31 176.125 176.125 176.222 -0.097 17588 4866 1 9 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.471 0.991 17588 4867 1 9 . 1 1 31 31 ARG CB C 31 30.657 30.657 28.411 2.246 17588 4868 1 9 . 1 1 31 31 ARG H H 31 8.343 8.343 8.413 -0.070 17588 4869 1 9 . 1 1 32 32 LEU N N 32 122.865 122.865 122.201 0.664 17588 4870 1 9 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.067 0.252 17588 4871 1 9 . 1 1 32 32 LEU C C 32 177.036 177.036 178.064 -1.028 17588 4872 1 9 . 1 1 32 32 LEU CA C 32 55.233 55.233 55.827 -0.594 17588 4873 1 9 . 1 1 32 32 LEU CB C 32 42.264 42.264 42.556 -0.292 17588 4874 1 9 . 1 1 32 32 LEU H H 32 8.203 8.203 7.744 0.459 17588 4875 1 9 . 1 1 33 33 LEU N N 33 123.054 123.054 122.940 0.114 17588 4876 1 9 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.436 -0.100 17588 4877 1 9 . 1 1 33 33 LEU C C 33 177.022 177.022 176.639 0.383 17588 4878 1 9 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.968 0.101 17588 4879 1 9 . 1 1 33 33 LEU CB C 33 42.288 42.288 41.589 0.699 17588 4880 1 9 . 1 1 33 33 LEU H H 33 8.150 8.150 8.370 -0.220 17588 4881 1 9 . 1 1 34 34 ARG N N 34 122.226 122.226 119.691 2.535 17588 4882 1 9 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.096 0.241 17588 4883 1 9 . 1 1 34 34 ARG C C 34 175.950 175.950 176.872 -0.922 17588 4884 1 9 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.553 0.365 17588 4885 1 9 . 1 1 34 34 ARG CB C 34 30.781 30.781 30.105 0.676 17588 4886 1 9 . 1 1 34 34 ARG H H 34 8.248 8.248 7.573 0.675 17588 4887 1 9 . 1 1 35 35 VAL N N 35 121.294 121.294 121.843 -0.549 17588 4888 1 9 . 1 1 35 35 VAL HA H 35 4.041 4.041 3.937 0.104 17588 4889 1 9 . 1 1 35 35 VAL C C 35 175.709 175.709 174.818 0.891 17588 4890 1 9 . 1 1 35 35 VAL CA C 35 62.240 62.240 62.893 -0.653 17588 4891 1 9 . 1 1 35 35 VAL CB C 35 32.753 32.753 31.099 1.654 17588 4892 1 9 . 1 1 35 35 VAL H H 35 8.107 8.107 8.367 -0.260 17588 4893 1 9 . 1 1 36 36 HIS N N 36 123.522 123.522 125.968 -2.446 17588 4894 1 9 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.672 -0.074 17588 4895 1 9 . 1 1 36 36 HIS C C 36 174.825 174.825 174.617 0.208 17588 4896 1 9 . 1 1 36 36 HIS CA C 36 56.111 56.111 55.042 1.069 17588 4897 1 9 . 1 1 36 36 HIS CB C 36 30.944 30.944 31.470 -0.526 17588 4898 1 9 . 1 1 36 36 HIS H H 36 8.410 8.410 8.069 0.341 17588 4899 1 9 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.320 0.280 17588 4900 1 9 . 1 1 37 37 HIS C C 37 175.173 175.173 174.360 0.813 17588 4901 1 9 . 1 1 37 37 HIS CA C 37 56.217 56.217 56.509 -0.292 17588 4902 1 9 . 1 1 37 37 HIS CB C 37 31.027 31.027 27.655 3.372 17588 4903 1 9 . 1 1 38 38 GLU N N 38 122.826 122.826 120.488 2.338 17588 4904 1 9 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.503 -0.248 17588 4905 1 9 . 1 1 38 38 GLU C C 38 176.483 176.483 176.430 0.053 17588 4906 1 9 . 1 1 38 38 GLU CA C 38 56.919 56.919 56.311 0.608 17588 4907 1 9 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.531 -0.203 17588 4908 1 9 . 1 1 38 38 GLU H H 38 8.569 8.569 8.242 0.327 17588 4909 1 9 . 1 1 39 39 SER N N 39 116.398 116.398 115.949 0.449 17588 4910 1 9 . 1 1 39 39 SER HA H 39 4.454 4.454 4.188 0.266 17588 4911 1 9 . 1 1 39 39 SER C C 39 174.497 174.497 173.416 1.081 17588 4912 1 9 . 1 1 39 39 SER CA C 39 58.552 58.552 59.268 -0.716 17588 4913 1 9 . 1 1 39 39 SER CB C 39 64.028 64.028 62.462 1.567 17588 4914 1 9 . 1 1 39 39 SER H H 39 8.444 8.444 8.698 -0.254 17588 4915 1 9 . 1 1 40 40 ASP N N 40 122.831 122.831 119.157 3.674 17588 4916 1 9 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.799 -0.127 17588 4917 1 9 . 1 1 40 40 ASP C C 40 176.783 176.783 176.077 0.706 17588 4918 1 9 . 1 1 40 40 ASP CA C 40 54.759 54.759 52.964 1.795 17588 4919 1 9 . 1 1 40 40 ASP CB C 40 41.014 41.014 43.129 -2.115 17588 4920 1 9 . 1 1 40 40 ASP H H 40 8.469 8.469 7.901 0.568 17588 4921 1 9 . 1 1 41 41 THR N N 41 113.679 113.679 113.417 0.262 17588 4922 1 9 . 1 1 41 41 THR HA H 41 4.181 4.181 4.106 0.075 17588 4923 1 9 . 1 1 41 41 THR C C 41 175.314 175.314 174.973 0.341 17588 4924 1 9 . 1 1 41 41 THR CA C 41 62.819 62.819 61.839 0.980 17588 4925 1 9 . 1 1 41 41 THR CB C 41 69.576 69.576 67.772 1.804 17588 4926 1 9 . 1 1 41 41 THR H H 41 8.066 8.066 8.228 -0.162 17588 4927 1 9 . 1 1 42 42 GLU N N 42 122.776 122.776 127.053 -4.277 17588 4928 1 9 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.133 0.075 17588 4929 1 9 . 1 1 42 42 GLU C C 42 177.129 177.129 177.617 -0.488 17588 4930 1 9 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.909 0.413 17588 4931 1 9 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.702 -0.702 17588 4932 1 9 . 1 1 42 42 GLU H H 42 8.343 8.343 8.045 0.298 17588 4933 1 9 . 1 1 43 43 GLU N N 43 121.898 121.898 126.370 -4.472 17588 4934 1 9 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.343 -0.132 17588 4935 1 9 . 1 1 43 43 GLU C C 43 177.313 177.313 177.227 0.086 17588 4936 1 9 . 1 1 43 43 GLU CA C 43 57.453 57.453 57.542 -0.090 17588 4937 1 9 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.955 0.004 17588 4938 1 9 . 1 1 43 43 GLU H H 43 8.397 8.397 8.811 -0.414 17588 4939 1 9 . 1 1 44 44 ARG N N 44 121.336 121.336 122.001 -0.665 17588 4940 1 9 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.043 0.183 17588 4941 1 9 . 1 1 44 44 ARG C C 44 178.048 178.048 177.512 0.536 17588 4942 1 9 . 1 1 44 44 ARG CA C 44 57.779 57.779 57.732 0.047 17588 4943 1 9 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.954 0.411 17588 4944 1 9 . 1 1 44 44 ARG H H 44 8.401 8.401 7.818 0.583 17588 4945 1 9 . 1 1 45 45 GLY N N 45 109.098 109.098 114.263 -5.165 17588 4946 1 9 . 1 1 45 45 GLY C C 45 175.522 175.522 175.611 -0.089 17588 4947 1 9 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.691 0.709 17588 4948 1 9 . 1 1 45 45 GLY H H 45 8.536 8.536 8.829 -0.293 17588 4949 1 9 . 1 1 46 46 PHE N N 46 121.592 121.592 123.518 -1.926 17588 4950 1 9 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.198 0.219 17588 4951 1 9 . 1 1 46 46 PHE C C 46 177.561 177.561 176.261 1.300 17588 4952 1 9 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.098 -1.018 17588 4953 1 9 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.055 -0.144 17588 4954 1 9 . 1 1 46 46 PHE H H 46 8.071 8.071 7.882 0.189 17588 4955 1 9 . 1 1 47 47 LEU N N 47 121.344 121.344 118.539 2.805 17588 4956 1 9 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.261 0.781 17588 4957 1 9 . 1 1 47 47 LEU C C 47 179.621 179.621 178.478 1.143 17588 4958 1 9 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.274 0.186 17588 4959 1 9 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.477 0.160 17588 4960 1 9 . 1 1 47 47 LEU H H 47 8.215 8.215 7.702 0.513 17588 4961 1 9 . 1 1 48 48 GLU N N 48 121.986 121.986 119.408 2.578 17588 4962 1 9 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.734 0.254 17588 4963 1 9 . 1 1 48 48 GLU C C 48 177.573 177.573 178.039 -0.466 17588 4964 1 9 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.306 0.000 17588 4965 1 9 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.017 0.631 17588 4966 1 9 . 1 1 48 48 GLU H H 48 8.225 8.225 8.311 -0.086 17588 4967 1 9 . 1 1 49 49 LYS N N 49 118.759 118.759 118.023 0.736 17588 4968 1 9 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.307 -0.064 17588 4969 1 9 . 1 1 49 49 LYS C C 49 177.659 177.659 178.423 -0.764 17588 4970 1 9 . 1 1 49 49 LYS CA C 49 59.886 59.886 58.615 1.271 17588 4971 1 9 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.253 0.049 17588 4972 1 9 . 1 1 49 49 LYS H H 49 7.790 7.790 7.523 0.267 17588 4973 1 9 . 1 1 50 50 ALA N N 50 120.023 120.023 121.410 -1.387 17588 4974 1 9 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.971 -0.012 17588 4975 1 9 . 1 1 50 50 ALA C C 50 180.486 180.486 179.008 1.478 17588 4976 1 9 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.656 0.226 17588 4977 1 9 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.756 0.121 17588 4978 1 9 . 1 1 50 50 ALA H H 50 7.798 7.798 7.700 0.098 17588 4979 1 9 . 1 1 51 51 ALA N N 51 121.955 121.955 121.798 0.157 17588 4980 1 9 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.843 0.270 17588 4981 1 9 . 1 1 51 51 ALA C C 51 180.762 180.762 179.556 1.206 17588 4982 1 9 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.160 -0.049 17588 4983 1 9 . 1 1 51 51 ALA CB C 51 18.041 18.041 17.929 0.112 17588 4984 1 9 . 1 1 51 51 ALA H H 51 7.809 7.809 7.588 0.221 17588 4985 1 9 . 1 1 52 52 VAL N N 52 120.415 120.415 118.724 1.691 17588 4986 1 9 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.591 0.059 17588 4987 1 9 . 1 1 52 52 VAL C C 52 178.567 178.567 178.397 0.170 17588 4988 1 9 . 1 1 52 52 VAL CA C 52 67.227 67.227 67.349 -0.122 17588 4989 1 9 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.916 0.194 17588 4990 1 9 . 1 1 52 52 VAL H H 52 7.944 7.944 7.491 0.453 17588 4991 1 9 . 1 1 53 53 LYS N N 53 119.231 119.231 118.924 0.307 17588 4992 1 9 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.909 -0.345 17588 4993 1 9 . 1 1 53 53 LYS C C 53 178.546 178.546 179.055 -0.509 17588 4994 1 9 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.428 1.292 17588 4995 1 9 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.936 0.316 17588 4996 1 9 . 1 1 53 53 LYS H H 53 8.132 8.132 7.364 0.768 17588 4997 1 9 . 1 1 54 54 LYS N N 54 119.514 119.514 119.284 0.230 17588 4998 1 9 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.882 0.111 17588 4999 1 9 . 1 1 54 54 LYS C C 54 179.987 179.987 179.275 0.712 17588 5000 1 9 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.929 0.308 17588 5001 1 9 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.279 0.204 17588 5002 1 9 . 1 1 54 54 LYS H H 54 7.956 7.956 8.496 -0.540 17588 5003 1 9 . 1 1 55 55 MET N N 55 119.732 119.732 117.104 2.628 17588 5004 1 9 . 1 1 55 55 MET HA H 55 4.251 4.251 4.105 0.146 17588 5005 1 9 . 1 1 55 55 MET C C 55 177.536 177.536 178.598 -1.062 17588 5006 1 9 . 1 1 55 55 MET CA C 55 58.396 58.396 58.029 0.367 17588 5007 1 9 . 1 1 55 55 MET CB C 55 34.228 34.228 31.853 2.375 17588 5008 1 9 . 1 1 55 55 MET H H 55 7.816 7.816 8.444 -0.628 17588 5009 1 9 . 1 1 56 56 ALA N N 56 122.295 122.295 122.737 -0.442 17588 5010 1 9 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.108 0.044 17588 5011 1 9 . 1 1 56 56 ALA C C 56 179.615 179.615 179.615 0.000 17588 5012 1 9 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.523 -0.185 17588 5013 1 9 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.351 0.755 17588 5014 1 9 . 1 1 56 56 ALA H H 56 8.724 8.724 8.469 0.255 17588 5015 1 9 . 1 1 57 57 LYS N N 57 117.704 117.704 119.080 -1.376 17588 5016 1 9 . 1 1 57 57 LYS HA H 57 4.084 4.084 3.827 0.257 17588 5017 1 9 . 1 1 57 57 LYS C C 57 179.358 179.358 178.841 0.517 17588 5018 1 9 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.740 0.234 17588 5019 1 9 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.318 0.183 17588 5020 1 9 . 1 1 57 57 LYS H H 57 8.444 8.444 8.574 -0.130 17588 5021 1 9 . 1 1 58 58 ALA N N 58 122.736 122.736 120.194 2.542 17588 5022 1 9 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.047 0.124 17588 5023 1 9 . 1 1 58 58 ALA C C 58 180.708 180.708 179.514 1.194 17588 5024 1 9 . 1 1 58 58 ALA CA C 58 55.111 55.111 54.869 0.242 17588 5025 1 9 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.324 -0.776 17588 5026 1 9 . 1 1 58 58 ALA H H 58 7.701 7.701 7.424 0.277 17588 5027 1 9 . 1 1 59 59 ILE N N 59 117.672 117.672 119.540 -1.868 17588 5028 1 9 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.927 -0.254 17588 5029 1 9 . 1 1 59 59 ILE C C 59 177.728 177.728 177.984 -0.256 17588 5030 1 9 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.462 -0.484 17588 5031 1 9 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.914 -0.101 17588 5032 1 9 . 1 1 59 59 ILE H H 59 7.547 7.547 7.879 -0.332 17588 5033 1 9 . 1 1 60 60 MET N N 60 117.653 117.653 116.852 0.801 17588 5034 1 9 . 1 1 60 60 MET HA H 60 4.098 4.098 4.072 0.026 17588 5035 1 9 . 1 1 60 60 MET C C 60 178.085 178.085 177.929 0.156 17588 5036 1 9 . 1 1 60 60 MET CA C 60 58.060 58.060 58.074 -0.014 17588 5037 1 9 . 1 1 60 60 MET CB C 60 32.178 32.178 31.837 0.341 17588 5038 1 9 . 1 1 60 60 MET H H 60 7.718 7.718 8.266 -0.548 17588 5039 1 9 . 1 1 61 61 ALA N N 61 118.874 118.874 119.610 -0.736 17588 5040 1 9 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.332 -0.058 17588 5041 1 9 . 1 1 61 61 ALA C C 61 177.758 177.758 178.181 -0.423 17588 5042 1 9 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.601 0.841 17588 5043 1 9 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.778 -0.710 17588 5044 1 9 . 1 1 61 61 ALA H H 61 7.513 7.513 7.702 -0.189 17588 5045 1 9 . 1 1 62 62 ASP N N 62 115.735 115.735 119.935 -4.200 17588 5046 1 9 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.131 -0.198 17588 5047 1 9 . 1 1 62 62 ASP C C 62 172.960 172.960 174.968 -2.008 17588 5048 1 9 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.249 -0.125 17588 5049 1 9 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.335 0.049 17588 5050 1 9 . 1 1 62 62 ASP H H 62 7.615 7.615 8.017 -0.402 17588 5051 1 9 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.356 0.090 17588 5052 1 9 . 1 1 63 63 PRO C C 63 179.157 179.157 177.453 1.704 17588 5053 1 9 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.627 -0.228 17588 5054 1 9 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.359 -0.099 17588 5055 1 9 . 1 1 64 64 ASN N N 64 115.566 115.566 115.245 0.321 17588 5056 1 9 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.463 0.089 17588 5057 1 9 . 1 1 64 64 ASN C C 64 176.867 176.867 177.185 -0.318 17588 5058 1 9 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.312 0.009 17588 5059 1 9 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.498 0.403 17588 5060 1 9 . 1 1 64 64 ASN H H 64 8.094 8.094 8.639 -0.545 17588 5061 1 9 . 1 1 65 65 LYS N N 65 118.691 118.691 120.041 -1.350 17588 5062 1 9 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.022 0.155 17588 5063 1 9 . 1 1 65 65 LYS C C 65 175.844 175.844 178.044 -2.200 17588 5064 1 9 . 1 1 65 65 LYS CA C 65 56.234 56.234 57.934 -1.700 17588 5065 1 9 . 1 1 65 65 LYS CB C 65 32.877 32.877 32.024 0.853 17588 5066 1 9 . 1 1 65 65 LYS H H 65 8.185 8.185 7.497 0.688 17588 5067 1 9 . 1 1 66 66 ALA N N 66 120.147 120.147 122.175 -2.028 17588 5068 1 9 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.400 -0.358 17588 5069 1 9 . 1 1 66 66 ALA C C 66 176.697 176.697 178.645 -1.948 17588 5070 1 9 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.473 0.339 17588 5071 1 9 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.464 0.770 17588 5072 1 9 . 1 1 66 66 ALA H H 66 7.233 7.233 7.590 -0.357 17588 5073 1 9 . 1 1 67 67 ASP N N 67 114.524 114.524 117.764 -3.240 17588 5074 1 9 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.447 -0.274 17588 5075 1 9 . 1 1 67 67 ASP C C 67 178.071 178.071 178.565 -0.494 17588 5076 1 9 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.268 1.100 17588 5077 1 9 . 1 1 67 67 ASP CB C 67 40.644 40.644 39.803 0.841 17588 5078 1 9 . 1 1 67 67 ASP H H 67 8.114 8.114 8.527 -0.413 17588 5079 1 9 . 1 1 68 68 GLU N N 68 117.486 117.486 119.103 -1.617 17588 5080 1 9 . 1 1 68 68 GLU HA H 68 3.893 3.893 4.084 -0.191 17588 5081 1 9 . 1 1 68 68 GLU C C 68 178.885 178.885 178.890 -0.005 17588 5082 1 9 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.713 0.032 17588 5083 1 9 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.514 0.147 17588 5084 1 9 . 1 1 68 68 GLU H H 68 7.846 7.846 8.191 -0.345 17588 5085 1 9 . 1 1 69 69 VAL N N 69 120.957 120.957 120.604 0.353 17588 5086 1 9 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.233 -0.187 17588 5087 1 9 . 1 1 69 69 VAL C C 69 176.618 176.618 177.904 -1.286 17588 5088 1 9 . 1 1 69 69 VAL CA C 69 66.453 66.453 65.416 1.037 17588 5089 1 9 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.284 0.755 17588 5090 1 9 . 1 1 69 69 VAL H H 69 7.325 7.325 7.524 -0.199 17588 5091 1 9 . 1 1 70 70 TYR N N 70 117.638 117.638 117.874 -0.236 17588 5092 1 9 . 1 1 70 70 TYR HA H 70 4.175 4.175 3.997 0.178 17588 5093 1 9 . 1 1 70 70 TYR C C 70 178.493 178.493 177.948 0.545 17588 5094 1 9 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.992 -3.511 17588 5095 1 9 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.700 -2.837 17588 5096 1 9 . 1 1 70 70 TYR H H 70 8.483 8.483 7.867 0.616 17588 5097 1 9 . 1 1 71 71 LYS N N 71 117.283 117.283 118.036 -0.753 17588 5098 1 9 . 1 1 71 71 LYS HA H 71 4.214 4.214 3.969 0.245 17588 5099 1 9 . 1 1 71 71 LYS C C 71 178.790 178.790 179.090 -0.300 17588 5100 1 9 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.423 0.369 17588 5101 1 9 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.078 0.429 17588 5102 1 9 . 1 1 71 71 LYS H H 71 7.754 7.754 7.543 0.211 17588 5103 1 9 . 1 1 72 72 LYS N N 72 120.053 120.053 119.746 0.307 17588 5104 1 9 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.923 0.218 17588 5105 1 9 . 1 1 72 72 LYS C C 72 180.399 180.399 179.115 1.284 17588 5106 1 9 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.435 0.292 17588 5107 1 9 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.185 -0.171 17588 5108 1 9 . 1 1 72 72 LYS H H 72 7.386 7.386 7.548 -0.162 17588 5109 1 9 . 1 1 73 73 TRP N N 73 121.910 121.910 120.218 1.692 17588 5110 1 9 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.479 0.034 17588 5111 1 9 . 1 1 73 73 TRP C C 73 177.981 177.981 178.717 -0.736 17588 5112 1 9 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.605 -1.690 17588 5113 1 9 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.543 1.019 17588 5114 1 9 . 1 1 73 73 TRP H H 73 8.659 8.659 8.335 0.324 17588 5115 1 9 . 1 1 74 74 ALA N N 74 123.471 123.471 119.243 4.228 17588 5116 1 9 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.254 0.238 17588 5117 1 9 . 1 1 74 74 ALA C C 74 182.881 182.881 179.688 3.193 17588 5118 1 9 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.019 0.330 17588 5119 1 9 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.533 -0.141 17588 5120 1 9 . 1 1 74 74 ALA H H 74 9.137 9.137 8.218 0.919 17588 5121 1 9 . 1 1 75 75 ASP N N 75 121.896 121.896 118.083 3.813 17588 5122 1 9 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.543 -0.079 17588 5123 1 9 . 1 1 75 75 ASP C C 75 178.714 178.714 178.071 0.643 17588 5124 1 9 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.195 0.899 17588 5125 1 9 . 1 1 75 75 ASP CB C 75 40.585 40.585 41.097 -0.512 17588 5126 1 9 . 1 1 75 75 ASP H H 75 8.804 8.804 7.816 0.988 17588 5127 1 9 . 1 1 76 76 LYS N N 76 118.966 118.966 117.656 1.310 17588 5128 1 9 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.043 -0.014 17588 5129 1 9 . 1 1 76 76 LYS C C 76 176.868 176.868 177.622 -0.754 17588 5130 1 9 . 1 1 76 76 LYS CA C 76 56.497 56.497 57.228 -0.731 17588 5131 1 9 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.917 -1.232 17588 5132 1 9 . 1 1 76 76 LYS H H 76 7.630 7.630 8.037 -0.407 17588 5133 1 9 . 1 1 77 77 GLY N N 77 107.310 107.310 104.201 3.109 17588 5134 1 9 . 1 1 77 77 GLY C C 77 175.407 175.407 173.798 1.609 17588 5135 1 9 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.586 0.603 17588 5136 1 9 . 1 1 77 77 GLY H H 77 7.901 7.901 7.714 0.187 17588 5137 1 9 . 1 1 78 78 TYR N N 78 117.917 117.917 119.933 -2.016 17588 5138 1 9 . 1 1 78 78 TYR HA H 78 5.292 5.292 5.015 0.277 17588 5139 1 9 . 1 1 78 78 TYR C C 78 178.422 178.422 176.066 2.356 17588 5140 1 9 . 1 1 78 78 TYR CA C 78 55.545 55.545 56.563 -1.018 17588 5141 1 9 . 1 1 78 78 TYR CB C 78 36.781 36.781 41.272 -4.491 17588 5142 1 9 . 1 1 78 78 TYR H H 78 7.506 7.506 7.573 -0.067 17588 5143 1 9 . 1 1 79 79 THR N N 79 119.420 119.420 110.535 8.885 17588 5144 1 9 . 1 1 79 79 THR HA H 79 4.518 4.518 4.915 -0.397 17588 5145 1 9 . 1 1 79 79 THR C C 79 175.648 175.648 175.297 0.351 17588 5146 1 9 . 1 1 79 79 THR CA C 79 60.027 60.027 60.090 -0.063 17588 5147 1 9 . 1 1 79 79 THR CB C 79 71.622 71.622 71.931 -0.309 17588 5148 1 9 . 1 1 79 79 THR H H 79 8.957 8.957 8.230 0.727 17588 5149 1 9 . 1 1 80 80 LEU N N 80 119.655 119.655 121.601 -1.946 17588 5150 1 9 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.178 0.002 17588 5151 1 9 . 1 1 80 80 LEU C C 80 180.085 180.085 178.897 1.188 17588 5152 1 9 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.577 0.336 17588 5153 1 9 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.045 -1.392 17588 5154 1 9 . 1 1 80 80 LEU H H 80 9.005 9.005 8.806 0.199 17588 5155 1 9 . 1 1 81 81 THR N N 81 115.259 115.259 114.103 1.156 17588 5156 1 9 . 1 1 81 81 THR HA H 81 3.939 3.939 3.889 0.050 17588 5157 1 9 . 1 1 81 81 THR C C 81 177.000 177.000 176.832 0.168 17588 5158 1 9 . 1 1 81 81 THR CA C 81 66.349 66.349 66.424 -0.075 17588 5159 1 9 . 1 1 81 81 THR CB C 81 68.591 68.591 68.077 0.514 17588 5160 1 9 . 1 1 81 81 THR H H 81 8.135 8.135 8.086 0.049 17588 5161 1 9 . 1 1 82 82 GLN N N 82 121.304 121.304 120.251 1.053 17588 5162 1 9 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.515 0.138 17588 5163 1 9 . 1 1 82 82 GLN C C 82 178.354 178.354 177.811 0.543 17588 5164 1 9 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.148 0.492 17588 5165 1 9 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.372 0.542 17588 5166 1 9 . 1 1 82 82 GLN H H 82 7.641 7.641 7.421 0.220 17588 5167 1 9 . 1 1 83 83 MET N N 83 117.464 117.464 119.506 -2.042 17588 5168 1 9 . 1 1 83 83 MET HA H 83 4.425 4.425 3.874 0.551 17588 5169 1 9 . 1 1 83 83 MET C C 83 177.906 177.906 177.954 -0.048 17588 5170 1 9 . 1 1 83 83 MET CA C 83 55.462 55.462 58.076 -2.614 17588 5171 1 9 . 1 1 83 83 MET CB C 83 29.014 29.014 32.177 -3.163 17588 5172 1 9 . 1 1 83 83 MET H H 83 8.665 8.665 8.347 0.318 17588 5173 1 9 . 1 1 84 84 SER N N 84 114.879 114.879 113.404 1.475 17588 5174 1 9 . 1 1 84 84 SER HA H 84 3.689 3.689 3.816 -0.127 17588 5175 1 9 . 1 1 84 84 SER C C 84 176.666 176.666 176.229 0.437 17588 5176 1 9 . 1 1 84 84 SER CA C 84 61.347 61.347 61.066 0.280 17588 5177 1 9 . 1 1 84 84 SER CB C 84 62.356 62.356 62.715 -0.359 17588 5178 1 9 . 1 1 84 84 SER H H 84 8.607 8.607 8.535 0.072 17588 5179 1 9 . 1 1 85 85 ASN N N 85 117.904 117.904 119.605 -1.701 17588 5180 1 9 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.398 0.017 17588 5181 1 9 . 1 1 85 85 ASN C C 85 177.997 177.997 177.766 0.231 17588 5182 1 9 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.483 0.470 17588 5183 1 9 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.773 0.487 17588 5184 1 9 . 1 1 85 85 ASN H H 85 7.204 7.204 7.681 -0.477 17588 5185 1 9 . 1 1 86 86 PHE N N 86 118.316 118.316 119.278 -0.962 17588 5186 1 9 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.306 0.122 17588 5187 1 9 . 1 1 86 86 PHE C C 86 177.478 177.478 176.817 0.661 17588 5188 1 9 . 1 1 86 86 PHE CA C 86 58.394 58.394 59.666 -1.272 17588 5189 1 9 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.521 0.314 17588 5190 1 9 . 1 1 86 86 PHE H H 86 8.367 8.367 7.571 0.796 17588 5191 1 9 . 1 1 87 87 LEU N N 87 112.533 112.533 116.579 -4.046 17588 5192 1 9 . 1 1 87 87 LEU HA H 87 4.100 4.100 3.501 0.599 17588 5193 1 9 . 1 1 87 87 LEU C C 87 176.474 176.474 177.286 -0.812 17588 5194 1 9 . 1 1 87 87 LEU CA C 87 54.549 54.549 56.418 -1.869 17588 5195 1 9 . 1 1 87 87 LEU CB C 87 41.371 41.371 41.508 -0.137 17588 5196 1 9 . 1 1 87 87 LEU H H 87 7.778 7.778 8.164 -0.386 17588 5197 1 9 . 1 1 88 88 LYS N N 88 119.798 119.798 119.157 0.641 17588 5198 1 9 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.026 0.222 17588 5199 1 9 . 1 1 88 88 LYS C C 88 176.594 176.594 176.239 0.355 17588 5200 1 9 . 1 1 88 88 LYS CA C 88 57.674 57.674 57.504 0.170 17588 5201 1 9 . 1 1 88 88 LYS CB C 88 32.671 32.671 32.402 0.269 17588 5202 1 9 . 1 1 88 88 LYS H H 88 7.328 7.328 7.391 -0.063 17588 5203 1 9 . 1 1 89 89 SER N N 89 117.937 117.937 119.847 -1.910 17588 5204 1 9 . 1 1 89 89 SER HA H 89 4.785 4.785 4.476 0.309 17588 5205 1 9 . 1 1 89 89 SER CA C 89 57.375 57.375 57.626 -0.251 17588 5206 1 9 . 1 1 89 89 SER CB C 89 64.838 64.838 63.176 1.662 17588 5207 1 9 . 1 1 89 89 SER H H 89 8.197 8.197 8.629 -0.432 17588 5208 1 9 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.996 0.158 17588 5209 1 9 . 1 1 90 90 LYS C C 90 177.472 177.472 174.862 2.610 17588 5210 1 9 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.379 1.015 17588 5211 1 9 . 1 1 90 90 LYS CB C 90 31.767 31.767 31.230 0.537 17588 5212 1 9 . 1 1 90 90 LYS H H 90 7.981 7.981 8.375 -0.394 17588 5213 1 9 . 1 1 91 91 THR N N 91 113.435 113.435 114.067 -0.632 17588 5214 1 9 . 1 1 91 91 THR HA H 91 4.342 4.342 4.533 -0.191 17588 5215 1 9 . 1 1 91 91 THR C C 91 174.236 174.236 174.699 -0.463 17588 5216 1 9 . 1 1 91 91 THR CA C 91 61.203 61.203 61.395 -0.192 17588 5217 1 9 . 1 1 91 91 THR CB C 91 69.254 69.254 70.505 -1.251 17588 5218 1 9 . 1 1 91 91 THR H H 91 7.942 7.942 7.532 0.410 17588 5219 1 9 . 1 1 92 92 ALA N N 92 129.685 129.685 127.852 1.833 17588 5220 1 9 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.106 0.072 17588 5221 1 9 . 1 1 92 92 ALA C C 92 178.710 178.710 177.679 1.031 17588 5222 1 9 . 1 1 92 92 ALA CA C 92 53.583 53.583 53.864 -0.281 17588 5223 1 9 . 1 1 92 92 ALA CB C 92 18.081 18.081 19.052 -0.971 17588 5224 1 9 . 1 1 92 92 ALA H H 92 8.603 8.603 8.506 0.097 17588 5225 1 9 . 1 1 93 93 GLY N N 93 109.919 109.919 106.583 3.336 17588 5226 1 9 . 1 1 93 93 GLY C C 93 176.310 176.310 172.839 3.471 17588 5227 1 9 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.057 0.448 17588 5228 1 9 . 1 1 93 93 GLY H H 93 8.823 8.823 7.908 0.915 17588 5229 1 9 . 1 1 94 94 LYS N N 94 120.949 120.949 125.043 -4.094 17588 5230 1 9 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.600 -0.808 17588 5231 1 9 . 1 1 94 94 LYS C C 94 177.630 177.630 176.255 1.375 17588 5232 1 9 . 1 1 94 94 LYS CA C 94 59.606 59.606 55.638 3.968 17588 5233 1 9 . 1 1 94 94 LYS CB C 94 33.246 33.246 34.438 -1.192 17588 5234 1 9 . 1 1 94 94 LYS H H 94 7.501 7.501 8.334 -0.833 17588 5235 1 9 . 1 1 95 95 TYR N N 95 113.034 113.034 118.429 -5.395 17588 5236 1 9 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.187 0.860 17588 5237 1 9 . 1 1 95 95 TYR C C 95 176.649 176.649 176.001 0.648 17588 5238 1 9 . 1 1 95 95 TYR CA C 95 56.936 56.936 58.370 -1.434 17588 5239 1 9 . 1 1 95 95 TYR CB C 95 39.000 39.000 36.346 2.654 17588 5240 1 9 . 1 1 95 95 TYR H H 95 8.670 8.670 8.750 -0.080 17588 5241 1 9 . 1 1 96 96 ASP N N 96 123.097 123.097 119.971 3.126 17588 5242 1 9 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.357 -0.028 17588 5243 1 9 . 1 1 96 96 ASP C C 96 178.087 178.087 178.547 -0.460 17588 5244 1 9 . 1 1 96 96 ASP CA C 96 58.619 58.619 57.556 1.063 17588 5245 1 9 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.377 -0.807 17588 5246 1 9 . 1 1 96 96 ASP H H 96 7.756 7.756 8.513 -0.757 17588 5247 1 9 . 1 1 97 97 ARG N N 97 118.384 118.384 119.092 -0.708 17588 5248 1 9 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.199 0.063 17588 5249 1 9 . 1 1 97 97 ARG C C 97 179.927 179.927 178.387 1.540 17588 5250 1 9 . 1 1 97 97 ARG CA C 97 59.746 59.746 58.755 0.991 17588 5251 1 9 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.781 0.013 17588 5252 1 9 . 1 1 97 97 ARG H H 97 8.897 8.897 8.626 0.271 17588 5253 1 9 . 1 1 98 98 VAL N N 98 119.642 119.642 119.402 0.240 17588 5254 1 9 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.138 -0.200 17588 5255 1 9 . 1 1 98 98 VAL C C 98 179.630 179.630 178.056 1.574 17588 5256 1 9 . 1 1 98 98 VAL CA C 98 65.804 65.804 64.684 1.120 17588 5257 1 9 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.787 0.267 17588 5258 1 9 . 1 1 98 98 VAL H H 98 7.578 7.578 7.267 0.311 17588 5259 1 9 . 1 1 99 99 TYR N N 99 122.432 122.432 121.062 1.370 17588 5260 1 9 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.014 -0.080 17588 5261 1 9 . 1 1 99 99 TYR C C 99 176.400 176.400 177.894 -1.494 17588 5262 1 9 . 1 1 99 99 TYR CA C 99 62.906 62.906 62.160 0.746 17588 5263 1 9 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.380 -0.059 17588 5264 1 9 . 1 1 99 99 TYR H H 99 8.635 8.635 8.838 -0.203 17588 5265 1 9 . 1 1 100 100 ASN N N 100 117.211 117.211 117.429 -0.218 17588 5266 1 9 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.234 0.052 17588 5267 1 9 . 1 1 100 100 ASN C C 100 178.488 178.488 177.692 0.796 17588 5268 1 9 . 1 1 100 100 ASN CA C 100 55.856 55.856 57.194 -1.338 17588 5269 1 9 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.964 -0.115 17588 5270 1 9 . 1 1 100 100 ASN H H 100 9.024 9.024 8.467 0.557 17588 5271 1 9 . 1 1 101 101 GLY N N 101 105.413 105.413 108.203 -2.790 17588 5272 1 9 . 1 1 101 101 GLY C C 101 175.833 175.833 176.033 -0.200 17588 5273 1 9 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.016 0.016 17588 5274 1 9 . 1 1 101 101 GLY H H 101 7.908 7.908 8.121 -0.213 17588 5275 1 9 . 1 1 102 102 TYR N N 102 126.373 126.373 123.476 2.897 17588 5276 1 9 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.942 -0.475 17588 5277 1 9 . 1 1 102 102 TYR C C 102 176.016 176.016 177.827 -1.811 17588 5278 1 9 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.119 -0.566 17588 5279 1 9 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.313 -0.423 17588 5280 1 9 . 1 1 102 102 TYR H H 102 7.581 7.581 7.614 -0.033 17588 5281 1 9 . 1 1 103 103 VAL N N 103 117.870 117.870 119.057 -1.187 17588 5282 1 9 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.253 -0.111 17588 5283 1 9 . 1 1 103 103 VAL C C 103 178.786 178.786 178.048 0.738 17588 5284 1 9 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.947 -0.370 17588 5285 1 9 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.869 0.878 17588 5286 1 9 . 1 1 103 103 VAL H H 103 7.510 7.510 8.168 -0.658 17588 5287 1 9 . 1 1 104 104 ILE N N 104 116.770 116.770 118.467 -1.697 17588 5288 1 9 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.895 -0.203 17588 5289 1 9 . 1 1 104 104 ILE C C 104 178.703 178.703 178.291 0.412 17588 5290 1 9 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.766 -0.929 17588 5291 1 9 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.615 0.317 17588 5292 1 9 . 1 1 104 104 ILE H H 104 7.056 7.056 7.461 -0.405 17588 5293 1 9 . 1 1 105 105 HIS N N 105 121.324 121.324 118.912 2.412 17588 5294 1 9 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.249 -0.297 17588 5295 1 9 . 1 1 105 105 HIS C C 105 176.974 176.974 177.887 -0.913 17588 5296 1 9 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.487 0.663 17588 5297 1 9 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.966 0.558 17588 5298 1 9 . 1 1 105 105 HIS H H 105 7.864 7.864 7.640 0.224 17588 5299 1 9 . 1 1 106 106 LEU N N 106 115.126 115.126 119.961 -4.835 17588 5300 1 9 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.237 -0.402 17588 5301 1 9 . 1 1 106 106 LEU C C 106 177.315 177.315 178.363 -1.048 17588 5302 1 9 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.414 -1.707 17588 5303 1 9 . 1 1 106 106 LEU CB C 106 42.041 42.041 40.973 1.068 17588 5304 1 9 . 1 1 106 106 LEU H H 106 7.517 7.517 8.197 -0.680 17588 5305 1 9 . 1 1 107 107 ASP N N 107 119.221 119.221 118.365 0.856 17588 5306 1 9 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.341 0.160 17588 5307 1 9 . 1 1 107 107 ASP C C 107 175.224 175.224 176.941 -1.717 17588 5308 1 9 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.417 -0.799 17588 5309 1 9 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.559 0.206 17588 5310 1 9 . 1 1 107 107 ASP H H 107 7.512 7.512 7.819 -0.307 17588 5311 1 10 . 1 1 6 6 SER HA H 6 4.480 4.480 4.668 -0.188 17588 5312 1 10 . 1 1 6 6 SER C C 6 174.995 174.995 175.067 -0.072 17588 5313 1 10 . 1 1 6 6 SER CA C 6 58.675 58.675 58.583 0.092 17588 5314 1 10 . 1 1 6 6 SER CB C 6 63.822 63.822 63.657 0.165 17588 5315 1 10 . 1 1 7 7 GLY N N 7 110.458 110.458 111.943 -1.485 17588 5316 1 10 . 1 1 7 7 GLY C C 7 173.853 173.853 172.960 0.893 17588 5317 1 10 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.060 0.287 17588 5318 1 10 . 1 1 7 7 GLY H H 7 8.394 8.394 8.438 -0.044 17588 5319 1 10 . 1 1 8 8 ASN N N 8 119.020 119.020 116.669 2.351 17588 5320 1 10 . 1 1 8 8 ASN HA H 8 4.757 4.757 5.328 -0.571 17588 5321 1 10 . 1 1 8 8 ASN C C 8 175.389 175.389 173.590 1.799 17588 5322 1 10 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.597 0.634 17588 5323 1 10 . 1 1 8 8 ASN CB C 8 38.959 38.959 41.615 -2.656 17588 5324 1 10 . 1 1 8 8 ASN H H 8 8.308 8.308 8.843 -0.535 17588 5325 1 10 . 1 1 9 9 VAL N N 9 120.281 120.281 117.627 2.654 17588 5326 1 10 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.767 -0.652 17588 5327 1 10 . 1 1 9 9 VAL C C 9 175.980 175.980 173.901 2.079 17588 5328 1 10 . 1 1 9 9 VAL CA C 9 62.468 62.468 61.770 0.698 17588 5329 1 10 . 1 1 9 9 VAL CB C 9 32.712 32.712 35.066 -2.354 17588 5330 1 10 . 1 1 9 9 VAL H H 9 8.173 8.173 8.575 -0.402 17588 5331 1 10 . 1 1 10 10 ASP N N 10 123.840 123.840 119.877 3.963 17588 5332 1 10 . 1 1 10 10 ASP HA H 10 4.624 4.624 5.172 -0.548 17588 5333 1 10 . 1 1 10 10 ASP C C 10 176.599 176.599 174.491 2.108 17588 5334 1 10 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.682 0.708 17588 5335 1 10 . 1 1 10 10 ASP CB C 10 41.343 41.343 43.319 -1.976 17588 5336 1 10 . 1 1 10 10 ASP H H 10 8.418 8.418 8.907 -0.489 17588 5337 1 10 . 1 1 11 11 SER N N 11 117.003 117.003 115.381 1.622 17588 5338 1 10 . 1 1 11 11 SER HA H 11 4.395 4.395 4.859 -0.464 17588 5339 1 10 . 1 1 11 11 SER C C 11 174.834 174.834 173.046 1.788 17588 5340 1 10 . 1 1 11 11 SER CA C 11 58.886 58.886 57.857 1.029 17588 5341 1 10 . 1 1 11 11 SER CB C 11 63.740 63.740 65.602 -1.862 17588 5342 1 10 . 1 1 11 11 SER H H 11 8.312 8.312 8.713 -0.401 17588 5343 1 10 . 1 1 12 12 ASN N N 12 120.512 120.512 118.600 1.912 17588 5344 1 10 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.872 -0.187 17588 5345 1 10 . 1 1 12 12 ASN C C 12 175.646 175.646 173.541 2.105 17588 5346 1 10 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.900 0.893 17588 5347 1 10 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.632 -1.002 17588 5348 1 10 . 1 1 12 12 ASN H H 12 8.511 8.511 8.393 0.118 17588 5349 1 10 . 1 1 13 13 GLN N N 13 120.057 120.057 118.399 1.658 17588 5350 1 10 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.856 -0.618 17588 5351 1 10 . 1 1 13 13 GLN C C 13 175.988 175.988 174.437 1.551 17588 5352 1 10 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.018 1.429 17588 5353 1 10 . 1 1 13 13 GLN CB C 13 29.137 29.137 31.889 -2.752 17588 5354 1 10 . 1 1 13 13 GLN H H 13 8.258 8.258 9.134 -0.876 17588 5355 1 10 . 1 1 14 14 ASN N N 14 119.323 119.323 117.123 2.200 17588 5356 1 10 . 1 1 14 14 ASN HA H 14 4.685 4.685 5.054 -0.369 17588 5357 1 10 . 1 1 14 14 ASN C C 14 175.552 175.552 173.272 2.280 17588 5358 1 10 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.411 1.154 17588 5359 1 10 . 1 1 14 14 ASN CB C 14 38.763 38.763 40.510 -1.747 17588 5360 1 10 . 1 1 14 14 ASN H H 14 8.377 8.377 8.637 -0.260 17588 5361 1 10 . 1 1 15 15 LYS N N 15 121.938 121.938 119.929 2.009 17588 5362 1 10 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.727 -0.513 17588 5363 1 10 . 1 1 15 15 LYS C C 15 176.933 176.933 174.367 2.566 17588 5364 1 10 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.521 1.714 17588 5365 1 10 . 1 1 15 15 LYS CB C 15 32.753 32.753 34.433 -1.680 17588 5366 1 10 . 1 1 15 15 LYS H H 15 8.224 8.224 8.658 -0.434 17588 5367 1 10 . 1 1 16 16 ALA N N 16 123.956 123.956 123.244 0.712 17588 5368 1 10 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.688 -0.414 17588 5369 1 10 . 1 1 16 16 ALA C C 16 178.593 178.593 177.134 1.459 17588 5370 1 10 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.902 1.540 17588 5371 1 10 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.968 -2.105 17588 5372 1 10 . 1 1 16 16 ALA H H 16 8.292 8.292 8.272 0.020 17588 5373 1 10 . 1 1 17 17 SER N N 17 114.462 114.462 118.148 -3.686 17588 5374 1 10 . 1 1 17 17 SER HA H 17 4.365 4.365 4.636 -0.272 17588 5375 1 10 . 1 1 17 17 SER C C 17 175.370 175.370 174.863 0.507 17588 5376 1 10 . 1 1 17 17 SER CA C 17 59.077 59.077 57.367 1.710 17588 5377 1 10 . 1 1 17 17 SER CB C 17 63.383 63.383 62.910 0.473 17588 5378 1 10 . 1 1 17 17 SER H H 17 8.200 8.200 8.510 -0.310 17588 5379 1 10 . 1 1 18 18 MET N N 18 121.999 121.999 124.371 -2.372 17588 5380 1 10 . 1 1 18 18 MET HA H 18 4.429 4.429 4.599 -0.170 17588 5381 1 10 . 1 1 18 18 MET C C 18 176.829 176.829 175.074 1.755 17588 5382 1 10 . 1 1 18 18 MET CA C 18 56.357 56.357 55.978 0.379 17588 5383 1 10 . 1 1 18 18 MET CB C 18 32.630 32.630 33.401 -0.771 17588 5384 1 10 . 1 1 18 18 MET H H 18 8.214 8.214 8.655 -0.441 17588 5385 1 10 . 1 1 19 19 LEU N N 19 122.083 122.083 122.393 -0.310 17588 5386 1 10 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.614 -0.358 17588 5387 1 10 . 1 1 19 19 LEU C C 19 177.774 177.774 176.217 1.557 17588 5388 1 10 . 1 1 19 19 LEU CA C 19 56.111 56.111 53.924 2.187 17588 5389 1 10 . 1 1 19 19 LEU CB C 19 42.041 42.041 44.214 -2.173 17588 5390 1 10 . 1 1 19 19 LEU H H 19 8.076 8.076 8.123 -0.047 17588 5391 1 10 . 1 1 20 20 GLN N N 20 120.123 120.123 120.427 -0.304 17588 5392 1 10 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.144 0.063 17588 5393 1 10 . 1 1 20 20 GLN C C 20 176.166 176.166 174.884 1.282 17588 5394 1 10 . 1 1 20 20 GLN CA C 20 56.409 56.409 56.197 0.212 17588 5395 1 10 . 1 1 20 20 GLN CB C 20 29.196 29.196 28.889 0.307 17588 5396 1 10 . 1 1 20 20 GLN H H 20 8.174 8.174 8.322 -0.148 17588 5397 1 10 . 1 1 21 21 ALA N N 21 124.216 124.216 128.987 -4.771 17588 5398 1 10 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.729 -0.475 17588 5399 1 10 . 1 1 21 21 ALA C C 21 178.034 178.034 176.605 1.429 17588 5400 1 10 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.645 1.481 17588 5401 1 10 . 1 1 21 21 ALA CB C 21 19.071 19.071 19.385 -0.314 17588 5402 1 10 . 1 1 21 21 ALA H H 21 8.151 8.151 8.492 -0.342 17588 5403 1 10 . 1 1 22 22 ARG N N 22 119.591 119.591 122.097 -2.506 17588 5404 1 10 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.839 -0.531 17588 5405 1 10 . 1 1 22 22 ARG C C 22 176.750 176.750 174.664 2.086 17588 5406 1 10 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.526 0.901 17588 5407 1 10 . 1 1 22 22 ARG CB C 22 30.616 30.616 32.747 -2.131 17588 5408 1 10 . 1 1 22 22 ARG H H 22 8.147 8.147 8.795 -0.648 17588 5409 1 10 . 1 1 23 23 LEU N N 23 122.553 122.553 120.851 1.702 17588 5410 1 10 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.894 -0.620 17588 5411 1 10 . 1 1 23 23 LEU C C 23 177.547 177.547 175.076 2.471 17588 5412 1 10 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.109 1.581 17588 5413 1 10 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.513 -1.431 17588 5414 1 10 . 1 1 23 23 LEU H H 23 8.220 8.220 8.384 -0.164 17588 5415 1 10 . 1 1 24 24 ASN N N 24 118.666 118.666 117.121 1.545 17588 5416 1 10 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.778 -0.105 17588 5417 1 10 . 1 1 24 24 ASN C C 24 175.246 175.246 173.200 2.046 17588 5418 1 10 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.559 1.006 17588 5419 1 10 . 1 1 24 24 ASN CB C 24 38.836 38.836 40.403 -1.567 17588 5420 1 10 . 1 1 24 24 ASN H H 24 8.351 8.351 8.486 -0.135 17588 5421 1 10 . 1 1 25 25 ASP N N 25 120.897 120.897 121.932 -1.035 17588 5422 1 10 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.914 -0.338 17588 5423 1 10 . 1 1 25 25 ASP C C 25 176.732 176.732 175.680 1.052 17588 5424 1 10 . 1 1 25 25 ASP CA C 25 54.706 54.706 54.168 0.538 17588 5425 1 10 . 1 1 25 25 ASP CB C 25 41.219 41.219 43.136 -1.917 17588 5426 1 10 . 1 1 25 25 ASP H H 25 8.234 8.234 8.685 -0.451 17588 5427 1 10 . 1 1 26 26 GLU N N 26 121.168 121.168 123.329 -2.161 17588 5428 1 10 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.235 -0.021 17588 5429 1 10 . 1 1 26 26 GLU C C 26 176.857 176.857 176.695 0.162 17588 5430 1 10 . 1 1 26 26 GLU CA C 26 57.247 57.247 56.649 0.598 17588 5431 1 10 . 1 1 26 26 GLU CB C 26 29.959 29.959 29.664 0.295 17588 5432 1 10 . 1 1 26 26 GLU H H 26 8.368 8.368 8.763 -0.395 17588 5433 1 10 . 1 1 27 27 ALA N N 27 124.100 124.100 121.727 2.373 17588 5434 1 10 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.152 0.165 17588 5435 1 10 . 1 1 27 27 ALA C C 27 178.520 178.520 177.152 1.368 17588 5436 1 10 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.212 0.773 17588 5437 1 10 . 1 1 27 27 ALA CB C 27 18.945 18.945 17.645 1.300 17588 5438 1 10 . 1 1 27 27 ALA H H 27 8.289 8.289 8.118 0.171 17588 5439 1 10 . 1 1 28 28 GLY N N 28 107.844 107.844 105.736 2.108 17588 5440 1 10 . 1 1 28 28 GLY C C 28 175.019 175.019 173.746 1.273 17588 5441 1 10 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.000 0.628 17588 5442 1 10 . 1 1 28 28 GLY H H 28 8.315 8.315 8.110 0.205 17588 5443 1 10 . 1 1 29 29 GLY N N 29 108.754 108.754 108.933 -0.179 17588 5444 1 10 . 1 1 29 29 GLY C C 29 174.659 174.659 174.362 0.297 17588 5445 1 10 . 1 1 29 29 GLY CA C 29 45.487 45.487 44.385 1.102 17588 5446 1 10 . 1 1 29 29 GLY H H 29 8.266 8.266 8.151 0.115 17588 5447 1 10 . 1 1 30 30 THR N N 30 114.068 114.068 116.640 -2.572 17588 5448 1 10 . 1 1 30 30 THR HA H 30 4.301 4.301 4.562 -0.261 17588 5449 1 10 . 1 1 30 30 THR C C 30 174.789 174.789 174.153 0.636 17588 5450 1 10 . 1 1 30 30 THR CA C 30 62.327 62.327 62.306 0.021 17588 5451 1 10 . 1 1 30 30 THR CB C 30 69.553 69.553 69.177 0.376 17588 5452 1 10 . 1 1 30 30 THR H H 30 8.111 8.111 7.987 0.124 17588 5453 1 10 . 1 1 31 31 ARG N N 31 123.536 123.536 127.325 -3.789 17588 5454 1 10 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.670 -0.371 17588 5455 1 10 . 1 1 31 31 ARG C C 31 176.125 176.125 175.220 0.905 17588 5456 1 10 . 1 1 31 31 ARG CA C 31 56.462 56.462 54.974 1.488 17588 5457 1 10 . 1 1 31 31 ARG CB C 31 30.657 30.657 31.027 -0.370 17588 5458 1 10 . 1 1 31 31 ARG H H 31 8.343 8.343 8.714 -0.371 17588 5459 1 10 . 1 1 32 32 LEU N N 32 122.865 122.865 123.742 -0.877 17588 5460 1 10 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.623 -0.304 17588 5461 1 10 . 1 1 32 32 LEU C C 32 177.036 177.036 176.063 0.973 17588 5462 1 10 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.989 0.244 17588 5463 1 10 . 1 1 32 32 LEU CB C 32 42.264 42.264 41.564 0.700 17588 5464 1 10 . 1 1 32 32 LEU H H 32 8.203 8.203 8.637 -0.434 17588 5465 1 10 . 1 1 33 33 LEU N N 33 123.054 123.054 122.584 0.470 17588 5466 1 10 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.558 -0.222 17588 5467 1 10 . 1 1 33 33 LEU C C 33 177.022 177.022 176.184 0.838 17588 5468 1 10 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.220 0.849 17588 5469 1 10 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.732 -0.444 17588 5470 1 10 . 1 1 33 33 LEU H H 33 8.150 8.150 7.998 0.152 17588 5471 1 10 . 1 1 34 34 ARG N N 34 122.226 122.226 121.707 0.519 17588 5472 1 10 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.583 -0.246 17588 5473 1 10 . 1 1 34 34 ARG C C 34 175.950 175.950 175.612 0.338 17588 5474 1 10 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.222 0.696 17588 5475 1 10 . 1 1 34 34 ARG CB C 34 30.781 30.781 30.954 -0.173 17588 5476 1 10 . 1 1 34 34 ARG H H 34 8.248 8.248 7.768 0.480 17588 5477 1 10 . 1 1 35 35 VAL N N 35 121.294 121.294 123.381 -2.087 17588 5478 1 10 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.298 -0.257 17588 5479 1 10 . 1 1 35 35 VAL C C 35 175.709 175.709 176.527 -0.818 17588 5480 1 10 . 1 1 35 35 VAL CA C 35 62.240 62.240 61.968 0.272 17588 5481 1 10 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.696 0.057 17588 5482 1 10 . 1 1 35 35 VAL H H 35 8.107 8.107 8.540 -0.433 17588 5483 1 10 . 1 1 36 36 HIS N N 36 123.522 123.522 125.237 -1.715 17588 5484 1 10 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.648 -0.050 17588 5485 1 10 . 1 1 36 36 HIS C C 36 174.825 174.825 174.775 0.050 17588 5486 1 10 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.347 -0.236 17588 5487 1 10 . 1 1 36 36 HIS CB C 36 30.944 30.944 27.534 3.410 17588 5488 1 10 . 1 1 36 36 HIS H H 36 8.410 8.410 8.856 -0.446 17588 5489 1 10 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.767 -0.167 17588 5490 1 10 . 1 1 37 37 HIS C C 37 175.173 175.173 175.440 -0.267 17588 5491 1 10 . 1 1 37 37 HIS CA C 37 56.217 56.217 54.910 1.307 17588 5492 1 10 . 1 1 37 37 HIS CB C 37 31.027 31.027 30.339 0.688 17588 5493 1 10 . 1 1 38 38 GLU N N 38 122.826 122.826 120.466 2.360 17588 5494 1 10 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.004 0.251 17588 5495 1 10 . 1 1 38 38 GLU C C 38 176.483 176.483 175.586 0.897 17588 5496 1 10 . 1 1 38 38 GLU CA C 38 56.919 56.919 58.261 -1.342 17588 5497 1 10 . 1 1 38 38 GLU CB C 38 30.328 30.328 29.946 0.382 17588 5498 1 10 . 1 1 38 38 GLU H H 38 8.569 8.569 8.614 -0.045 17588 5499 1 10 . 1 1 39 39 SER N N 39 116.398 116.398 110.630 5.768 17588 5500 1 10 . 1 1 39 39 SER HA H 39 4.454 4.454 4.364 0.090 17588 5501 1 10 . 1 1 39 39 SER C C 39 174.497 174.497 172.981 1.516 17588 5502 1 10 . 1 1 39 39 SER CA C 39 58.552 58.552 57.418 1.134 17588 5503 1 10 . 1 1 39 39 SER CB C 39 64.028 64.028 65.378 -1.350 17588 5504 1 10 . 1 1 39 39 SER H H 39 8.444 8.444 7.607 0.837 17588 5505 1 10 . 1 1 40 40 ASP N N 40 122.831 122.831 126.783 -3.952 17588 5506 1 10 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.789 -0.117 17588 5507 1 10 . 1 1 40 40 ASP C C 40 176.783 176.783 176.639 0.144 17588 5508 1 10 . 1 1 40 40 ASP CA C 40 54.759 54.759 54.067 0.692 17588 5509 1 10 . 1 1 40 40 ASP CB C 40 41.014 41.014 40.487 0.527 17588 5510 1 10 . 1 1 40 40 ASP H H 40 8.469 8.469 8.582 -0.113 17588 5511 1 10 . 1 1 41 41 THR N N 41 113.679 113.679 113.556 0.123 17588 5512 1 10 . 1 1 41 41 THR HA H 41 4.181 4.181 3.781 0.400 17588 5513 1 10 . 1 1 41 41 THR C C 41 175.314 175.314 173.764 1.550 17588 5514 1 10 . 1 1 41 41 THR CA C 41 62.819 62.819 63.044 -0.225 17588 5515 1 10 . 1 1 41 41 THR CB C 41 69.576 69.576 67.285 2.291 17588 5516 1 10 . 1 1 41 41 THR H H 41 8.066 8.066 8.068 -0.002 17588 5517 1 10 . 1 1 42 42 GLU N N 42 122.776 122.776 121.614 1.162 17588 5518 1 10 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.075 0.133 17588 5519 1 10 . 1 1 42 42 GLU C C 42 177.129 177.129 177.682 -0.553 17588 5520 1 10 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.746 0.576 17588 5521 1 10 . 1 1 42 42 GLU CB C 42 30.000 30.000 29.575 0.425 17588 5522 1 10 . 1 1 42 42 GLU H H 42 8.343 8.343 8.154 0.189 17588 5523 1 10 . 1 1 43 43 GLU N N 43 121.898 121.898 123.871 -1.973 17588 5524 1 10 . 1 1 43 43 GLU HA H 43 4.211 4.211 3.995 0.216 17588 5525 1 10 . 1 1 43 43 GLU C C 43 177.313 177.313 176.510 0.803 17588 5526 1 10 . 1 1 43 43 GLU CA C 43 57.453 57.453 58.332 -0.879 17588 5527 1 10 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.207 0.752 17588 5528 1 10 . 1 1 43 43 GLU H H 43 8.397 8.397 7.980 0.417 17588 5529 1 10 . 1 1 44 44 ARG N N 44 121.336 121.336 120.857 0.479 17588 5530 1 10 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.104 0.122 17588 5531 1 10 . 1 1 44 44 ARG C C 44 178.048 178.048 177.257 0.791 17588 5532 1 10 . 1 1 44 44 ARG CA C 44 57.779 57.779 57.294 0.485 17588 5533 1 10 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.067 1.299 17588 5534 1 10 . 1 1 44 44 ARG H H 44 8.401 8.401 8.093 0.308 17588 5535 1 10 . 1 1 45 45 GLY N N 45 109.098 109.098 112.404 -3.306 17588 5536 1 10 . 1 1 45 45 GLY C C 45 175.522 175.522 175.292 0.230 17588 5537 1 10 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.869 0.531 17588 5538 1 10 . 1 1 45 45 GLY H H 45 8.536 8.536 8.915 -0.379 17588 5539 1 10 . 1 1 46 46 PHE N N 46 121.592 121.592 123.241 -1.649 17588 5540 1 10 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.324 0.093 17588 5541 1 10 . 1 1 46 46 PHE C C 46 177.561 177.561 176.196 1.365 17588 5542 1 10 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.558 -1.478 17588 5543 1 10 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.484 -0.573 17588 5544 1 10 . 1 1 46 46 PHE H H 46 8.071 8.071 7.838 0.233 17588 5545 1 10 . 1 1 47 47 LEU N N 47 121.344 121.344 119.203 2.141 17588 5546 1 10 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.902 0.140 17588 5547 1 10 . 1 1 47 47 LEU C C 47 179.621 179.621 178.413 1.208 17588 5548 1 10 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.951 -0.491 17588 5549 1 10 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.859 -0.222 17588 5550 1 10 . 1 1 47 47 LEU H H 47 8.215 8.215 8.404 -0.189 17588 5551 1 10 . 1 1 48 48 GLU N N 48 121.986 121.986 119.636 2.350 17588 5552 1 10 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.736 0.252 17588 5553 1 10 . 1 1 48 48 GLU C C 48 177.573 177.573 178.012 -0.439 17588 5554 1 10 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.629 -0.322 17588 5555 1 10 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.291 0.357 17588 5556 1 10 . 1 1 48 48 GLU H H 48 8.225 8.225 8.400 -0.175 17588 5557 1 10 . 1 1 49 49 LYS N N 49 118.759 118.759 118.627 0.132 17588 5558 1 10 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.209 0.034 17588 5559 1 10 . 1 1 49 49 LYS C C 49 177.659 177.659 178.381 -0.722 17588 5560 1 10 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.112 0.774 17588 5561 1 10 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.140 0.162 17588 5562 1 10 . 1 1 49 49 LYS H H 49 7.790 7.790 7.226 0.564 17588 5563 1 10 . 1 1 50 50 ALA N N 50 120.023 120.023 121.019 -0.996 17588 5564 1 10 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.884 0.075 17588 5565 1 10 . 1 1 50 50 ALA C C 50 180.486 180.486 179.362 1.124 17588 5566 1 10 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.810 0.072 17588 5567 1 10 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.872 0.005 17588 5568 1 10 . 1 1 50 50 ALA H H 50 7.798 7.798 7.147 0.651 17588 5569 1 10 . 1 1 51 51 ALA N N 51 121.955 121.955 121.560 0.395 17588 5570 1 10 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.889 0.224 17588 5571 1 10 . 1 1 51 51 ALA C C 51 180.762 180.762 179.682 1.080 17588 5572 1 10 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.191 -0.079 17588 5573 1 10 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.157 -0.115 17588 5574 1 10 . 1 1 51 51 ALA H H 51 7.809 7.809 8.118 -0.309 17588 5575 1 10 . 1 1 52 52 VAL N N 52 120.415 120.415 117.563 2.852 17588 5576 1 10 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.683 -0.033 17588 5577 1 10 . 1 1 52 52 VAL C C 52 178.567 178.567 178.330 0.237 17588 5578 1 10 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.424 0.803 17588 5579 1 10 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.738 0.372 17588 5580 1 10 . 1 1 52 52 VAL H H 52 7.944 7.944 7.740 0.204 17588 5581 1 10 . 1 1 53 53 LYS N N 53 119.231 119.231 119.373 -0.142 17588 5582 1 10 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.798 -0.234 17588 5583 1 10 . 1 1 53 53 LYS C C 53 178.546 178.546 178.749 -0.203 17588 5584 1 10 . 1 1 53 53 LYS CA C 53 60.720 60.720 58.978 1.742 17588 5585 1 10 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.732 0.519 17588 5586 1 10 . 1 1 53 53 LYS H H 53 8.132 8.132 7.563 0.569 17588 5587 1 10 . 1 1 54 54 LYS N N 54 119.514 119.514 119.419 0.095 17588 5588 1 10 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.885 0.108 17588 5589 1 10 . 1 1 54 54 LYS C C 54 179.987 179.987 179.080 0.907 17588 5590 1 10 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.872 0.365 17588 5591 1 10 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.237 0.246 17588 5592 1 10 . 1 1 54 54 LYS H H 54 7.956 7.956 8.304 -0.348 17588 5593 1 10 . 1 1 55 55 MET N N 55 119.732 119.732 116.017 3.715 17588 5594 1 10 . 1 1 55 55 MET HA H 55 4.251 4.251 4.334 -0.083 17588 5595 1 10 . 1 1 55 55 MET C C 55 177.536 177.536 177.957 -0.421 17588 5596 1 10 . 1 1 55 55 MET CA C 55 58.396 58.396 58.018 0.378 17588 5597 1 10 . 1 1 55 55 MET CB C 55 34.228 34.228 32.445 1.783 17588 5598 1 10 . 1 1 55 55 MET H H 55 7.816 7.816 7.816 0.000 17588 5599 1 10 . 1 1 56 56 ALA N N 56 122.295 122.295 124.335 -2.040 17588 5600 1 10 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.093 0.059 17588 5601 1 10 . 1 1 56 56 ALA C C 56 179.615 179.615 179.447 0.168 17588 5602 1 10 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.147 0.191 17588 5603 1 10 . 1 1 56 56 ALA CB C 56 19.106 19.106 17.836 1.270 17588 5604 1 10 . 1 1 56 56 ALA H H 56 8.724 8.724 7.368 1.356 17588 5605 1 10 . 1 1 57 57 LYS N N 57 117.704 117.704 119.033 -1.329 17588 5606 1 10 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.117 -0.033 17588 5607 1 10 . 1 1 57 57 LYS C C 57 179.358 179.358 178.827 0.531 17588 5608 1 10 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.600 0.374 17588 5609 1 10 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.449 0.052 17588 5610 1 10 . 1 1 57 57 LYS H H 57 8.444 8.444 8.499 -0.055 17588 5611 1 10 . 1 1 58 58 ALA N N 58 122.736 122.736 121.099 1.637 17588 5612 1 10 . 1 1 58 58 ALA HA H 58 4.171 4.171 3.992 0.179 17588 5613 1 10 . 1 1 58 58 ALA C C 58 180.708 180.708 179.352 1.356 17588 5614 1 10 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.113 -0.002 17588 5615 1 10 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.238 -0.691 17588 5616 1 10 . 1 1 58 58 ALA H H 58 7.701 7.701 7.451 0.250 17588 5617 1 10 . 1 1 59 59 ILE N N 59 117.672 117.672 117.999 -0.327 17588 5618 1 10 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.888 -0.215 17588 5619 1 10 . 1 1 59 59 ILE C C 59 177.728 177.728 178.436 -0.708 17588 5620 1 10 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.363 -0.385 17588 5621 1 10 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.922 -0.109 17588 5622 1 10 . 1 1 59 59 ILE H H 59 7.547 7.547 7.087 0.460 17588 5623 1 10 . 1 1 60 60 MET N N 60 117.653 117.653 116.149 1.504 17588 5624 1 10 . 1 1 60 60 MET HA H 60 4.098 4.098 4.097 0.001 17588 5625 1 10 . 1 1 60 60 MET C C 60 178.085 178.085 177.072 1.013 17588 5626 1 10 . 1 1 60 60 MET CA C 60 58.060 58.060 58.579 -0.519 17588 5627 1 10 . 1 1 60 60 MET CB C 60 32.178 32.178 32.393 -0.215 17588 5628 1 10 . 1 1 60 60 MET H H 60 7.718 7.718 7.766 -0.048 17588 5629 1 10 . 1 1 61 61 ALA N N 61 118.874 118.874 120.494 -1.620 17588 5630 1 10 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.385 -0.111 17588 5631 1 10 . 1 1 61 61 ALA C C 61 177.758 177.758 177.747 0.011 17588 5632 1 10 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.461 0.982 17588 5633 1 10 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.780 -0.712 17588 5634 1 10 . 1 1 61 61 ALA H H 61 7.513 7.513 7.323 0.190 17588 5635 1 10 . 1 1 62 62 ASP N N 62 115.735 115.735 119.017 -3.282 17588 5636 1 10 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.063 -0.130 17588 5637 1 10 . 1 1 62 62 ASP C C 62 172.960 172.960 175.148 -2.188 17588 5638 1 10 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.734 -0.610 17588 5639 1 10 . 1 1 62 62 ASP CB C 62 41.384 41.384 42.075 -0.692 17588 5640 1 10 . 1 1 62 62 ASP H H 62 7.615 7.615 7.784 -0.169 17588 5641 1 10 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.404 0.042 17588 5642 1 10 . 1 1 63 63 PRO C C 63 179.157 179.157 178.104 1.053 17588 5643 1 10 . 1 1 63 63 PRO CA C 63 64.399 64.399 65.276 -0.877 17588 5644 1 10 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.301 -0.041 17588 5645 1 10 . 1 1 64 64 ASN N N 64 115.566 115.566 116.304 -0.738 17588 5646 1 10 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.421 0.131 17588 5647 1 10 . 1 1 64 64 ASN C C 64 176.867 176.867 177.069 -0.202 17588 5648 1 10 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.928 -0.607 17588 5649 1 10 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.281 0.620 17588 5650 1 10 . 1 1 64 64 ASN H H 64 8.094 8.094 8.768 -0.674 17588 5651 1 10 . 1 1 65 65 LYS N N 65 118.691 118.691 119.936 -1.245 17588 5652 1 10 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.042 0.136 17588 5653 1 10 . 1 1 65 65 LYS C C 65 175.844 175.844 177.884 -2.040 17588 5654 1 10 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.210 -1.976 17588 5655 1 10 . 1 1 65 65 LYS CB C 65 32.877 32.877 32.081 0.796 17588 5656 1 10 . 1 1 65 65 LYS H H 65 8.185 8.185 7.314 0.871 17588 5657 1 10 . 1 1 66 66 ALA N N 66 120.147 120.147 123.722 -3.575 17588 5658 1 10 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.273 -0.231 17588 5659 1 10 . 1 1 66 66 ALA C C 66 176.697 176.697 178.599 -1.902 17588 5660 1 10 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.266 0.546 17588 5661 1 10 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.822 0.412 17588 5662 1 10 . 1 1 66 66 ALA H H 66 7.233 7.233 8.136 -0.903 17588 5663 1 10 . 1 1 67 67 ASP N N 67 114.524 114.524 117.435 -2.911 17588 5664 1 10 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.310 -0.137 17588 5665 1 10 . 1 1 67 67 ASP C C 67 178.071 178.071 178.543 -0.472 17588 5666 1 10 . 1 1 67 67 ASP CA C 67 58.368 58.368 58.309 0.059 17588 5667 1 10 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.373 0.271 17588 5668 1 10 . 1 1 67 67 ASP H H 67 8.114 8.114 8.314 -0.200 17588 5669 1 10 . 1 1 68 68 GLU N N 68 117.486 117.486 119.460 -1.974 17588 5670 1 10 . 1 1 68 68 GLU HA H 68 3.893 3.893 4.059 -0.166 17588 5671 1 10 . 1 1 68 68 GLU C C 68 178.885 178.885 178.392 0.493 17588 5672 1 10 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.723 0.022 17588 5673 1 10 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.252 0.409 17588 5674 1 10 . 1 1 68 68 GLU H H 68 7.846 7.846 7.578 0.268 17588 5675 1 10 . 1 1 69 69 VAL N N 69 120.957 120.957 120.575 0.382 17588 5676 1 10 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.069 -0.023 17588 5677 1 10 . 1 1 69 69 VAL C C 69 176.618 176.618 177.773 -1.155 17588 5678 1 10 . 1 1 69 69 VAL CA C 69 66.453 66.453 67.255 -0.802 17588 5679 1 10 . 1 1 69 69 VAL CB C 69 31.039 31.039 31.041 -0.002 17588 5680 1 10 . 1 1 69 69 VAL H H 69 7.325 7.325 8.146 -0.821 17588 5681 1 10 . 1 1 70 70 TYR N N 70 117.638 117.638 117.147 0.491 17588 5682 1 10 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.018 0.157 17588 5683 1 10 . 1 1 70 70 TYR C C 70 178.493 178.493 178.192 0.301 17588 5684 1 10 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.508 -3.027 17588 5685 1 10 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.541 -2.678 17588 5686 1 10 . 1 1 70 70 TYR H H 70 8.483 8.483 7.649 0.834 17588 5687 1 10 . 1 1 71 71 LYS N N 71 117.283 117.283 117.761 -0.478 17588 5688 1 10 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.216 -0.002 17588 5689 1 10 . 1 1 71 71 LYS C C 71 178.790 178.790 179.075 -0.285 17588 5690 1 10 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.509 0.284 17588 5691 1 10 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.115 0.392 17588 5692 1 10 . 1 1 71 71 LYS H H 71 7.754 7.754 7.363 0.391 17588 5693 1 10 . 1 1 72 72 LYS N N 72 120.053 120.053 120.133 -0.080 17588 5694 1 10 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.933 0.208 17588 5695 1 10 . 1 1 72 72 LYS C C 72 180.399 180.399 179.112 1.287 17588 5696 1 10 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.452 0.276 17588 5697 1 10 . 1 1 72 72 LYS CB C 72 32.014 32.014 31.998 0.016 17588 5698 1 10 . 1 1 72 72 LYS H H 72 7.386 7.386 7.594 -0.208 17588 5699 1 10 . 1 1 73 73 TRP N N 73 121.910 121.910 119.581 2.329 17588 5700 1 10 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.657 -0.144 17588 5701 1 10 . 1 1 73 73 TRP C C 73 177.981 177.981 178.923 -0.942 17588 5702 1 10 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.475 -1.560 17588 5703 1 10 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.535 1.027 17588 5704 1 10 . 1 1 73 73 TRP H H 73 8.659 8.659 7.986 0.674 17588 5705 1 10 . 1 1 74 74 ALA N N 74 123.471 123.471 122.089 1.382 17588 5706 1 10 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.325 0.167 17588 5707 1 10 . 1 1 74 74 ALA C C 74 182.881 182.881 179.674 3.207 17588 5708 1 10 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.050 0.299 17588 5709 1 10 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.576 -0.184 17588 5710 1 10 . 1 1 74 74 ALA H H 74 9.137 9.137 8.201 0.936 17588 5711 1 10 . 1 1 75 75 ASP N N 75 121.896 121.896 117.142 4.754 17588 5712 1 10 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.390 0.074 17588 5713 1 10 . 1 1 75 75 ASP C C 75 178.714 178.714 178.514 0.200 17588 5714 1 10 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.770 0.324 17588 5715 1 10 . 1 1 75 75 ASP CB C 75 40.585 40.585 41.077 -0.492 17588 5716 1 10 . 1 1 75 75 ASP H H 75 8.804 8.804 7.895 0.909 17588 5717 1 10 . 1 1 76 76 LYS N N 76 118.966 118.966 116.755 2.211 17588 5718 1 10 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.014 0.015 17588 5719 1 10 . 1 1 76 76 LYS C C 76 176.868 176.868 177.787 -0.919 17588 5720 1 10 . 1 1 76 76 LYS CA C 76 56.497 56.497 57.190 -0.693 17588 5721 1 10 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.864 -1.179 17588 5722 1 10 . 1 1 76 76 LYS H H 76 7.630 7.630 8.249 -0.619 17588 5723 1 10 . 1 1 77 77 GLY N N 77 107.310 107.310 104.506 2.804 17588 5724 1 10 . 1 1 77 77 GLY C C 77 175.407 175.407 173.879 1.528 17588 5725 1 10 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.685 0.504 17588 5726 1 10 . 1 1 77 77 GLY H H 77 7.901 7.901 7.692 0.209 17588 5727 1 10 . 1 1 78 78 TYR N N 78 117.917 117.917 120.439 -2.522 17588 5728 1 10 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.904 0.388 17588 5729 1 10 . 1 1 78 78 TYR C C 78 178.422 178.422 175.643 2.779 17588 5730 1 10 . 1 1 78 78 TYR CA C 78 55.545 55.545 56.159 -0.614 17588 5731 1 10 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.996 -4.215 17588 5732 1 10 . 1 1 78 78 TYR H H 78 7.506 7.506 7.730 -0.224 17588 5733 1 10 . 1 1 79 79 THR N N 79 119.420 119.420 112.471 6.949 17588 5734 1 10 . 1 1 79 79 THR HA H 79 4.518 4.518 4.843 -0.325 17588 5735 1 10 . 1 1 79 79 THR C C 79 175.648 175.648 175.286 0.362 17588 5736 1 10 . 1 1 79 79 THR CA C 79 60.027 60.027 60.225 -0.198 17588 5737 1 10 . 1 1 79 79 THR CB C 79 71.622 71.622 70.448 1.174 17588 5738 1 10 . 1 1 79 79 THR H H 79 8.957 8.957 8.374 0.583 17588 5739 1 10 . 1 1 80 80 LEU N N 80 119.655 119.655 123.906 -4.251 17588 5740 1 10 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.103 0.077 17588 5741 1 10 . 1 1 80 80 LEU C C 80 180.085 180.085 178.577 1.508 17588 5742 1 10 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.623 0.290 17588 5743 1 10 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.976 -2.323 17588 5744 1 10 . 1 1 80 80 LEU H H 80 9.005 9.005 8.975 0.030 17588 5745 1 10 . 1 1 81 81 THR N N 81 115.259 115.259 113.634 1.625 17588 5746 1 10 . 1 1 81 81 THR HA H 81 3.939 3.939 3.930 0.009 17588 5747 1 10 . 1 1 81 81 THR C C 81 177.000 177.000 176.658 0.342 17588 5748 1 10 . 1 1 81 81 THR CA C 81 66.349 66.349 66.621 -0.272 17588 5749 1 10 . 1 1 81 81 THR CB C 81 68.591 68.591 68.490 0.101 17588 5750 1 10 . 1 1 81 81 THR H H 81 8.135 8.135 7.813 0.322 17588 5751 1 10 . 1 1 82 82 GLN N N 82 121.304 121.304 119.771 1.533 17588 5752 1 10 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.645 0.008 17588 5753 1 10 . 1 1 82 82 GLN C C 82 178.354 178.354 177.814 0.540 17588 5754 1 10 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.806 -0.166 17588 5755 1 10 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.410 0.504 17588 5756 1 10 . 1 1 82 82 GLN H H 82 7.641 7.641 7.634 0.007 17588 5757 1 10 . 1 1 83 83 MET N N 83 117.464 117.464 119.074 -1.610 17588 5758 1 10 . 1 1 83 83 MET HA H 83 4.425 4.425 3.970 0.455 17588 5759 1 10 . 1 1 83 83 MET C C 83 177.906 177.906 178.133 -0.227 17588 5760 1 10 . 1 1 83 83 MET CA C 83 55.462 55.462 58.133 -2.671 17588 5761 1 10 . 1 1 83 83 MET CB C 83 29.014 29.014 32.161 -3.147 17588 5762 1 10 . 1 1 83 83 MET H H 83 8.665 8.665 8.514 0.151 17588 5763 1 10 . 1 1 84 84 SER N N 84 114.879 114.879 114.867 0.012 17588 5764 1 10 . 1 1 84 84 SER HA H 84 3.689 3.689 3.763 -0.074 17588 5765 1 10 . 1 1 84 84 SER C C 84 176.666 176.666 176.594 0.072 17588 5766 1 10 . 1 1 84 84 SER CA C 84 61.347 61.347 61.857 -0.510 17588 5767 1 10 . 1 1 84 84 SER CB C 84 62.356 62.356 62.526 -0.170 17588 5768 1 10 . 1 1 84 84 SER H H 84 8.607 8.607 8.029 0.578 17588 5769 1 10 . 1 1 85 85 ASN N N 85 117.904 117.904 118.471 -0.567 17588 5770 1 10 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.287 0.128 17588 5771 1 10 . 1 1 85 85 ASN C C 85 177.997 177.997 176.757 1.240 17588 5772 1 10 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.475 0.478 17588 5773 1 10 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.940 0.320 17588 5774 1 10 . 1 1 85 85 ASN H H 85 7.204 7.204 7.771 -0.567 17588 5775 1 10 . 1 1 86 86 PHE N N 86 118.316 118.316 117.358 0.958 17588 5776 1 10 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.335 0.093 17588 5777 1 10 . 1 1 86 86 PHE C C 86 177.478 177.478 177.246 0.232 17588 5778 1 10 . 1 1 86 86 PHE CA C 86 58.394 58.394 58.888 -0.494 17588 5779 1 10 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.745 0.090 17588 5780 1 10 . 1 1 86 86 PHE H H 86 8.367 8.367 7.559 0.808 17588 5781 1 10 . 1 1 87 87 LEU N N 87 112.533 112.533 120.117 -7.584 17588 5782 1 10 . 1 1 87 87 LEU HA H 87 4.100 4.100 3.803 0.297 17588 5783 1 10 . 1 1 87 87 LEU C C 87 176.474 176.474 178.891 -2.417 17588 5784 1 10 . 1 1 87 87 LEU CA C 87 54.549 54.549 57.865 -3.316 17588 5785 1 10 . 1 1 87 87 LEU CB C 87 41.371 41.371 41.794 -0.423 17588 5786 1 10 . 1 1 87 87 LEU H H 87 7.778 7.778 8.492 -0.714 17588 5787 1 10 . 1 1 88 88 LYS N N 88 119.798 119.798 116.358 3.440 17588 5788 1 10 . 1 1 88 88 LYS HA H 88 4.248 4.248 3.852 0.396 17588 5789 1 10 . 1 1 88 88 LYS C C 88 176.594 176.594 177.693 -1.099 17588 5790 1 10 . 1 1 88 88 LYS CA C 88 57.674 57.674 58.694 -1.020 17588 5791 1 10 . 1 1 88 88 LYS CB C 88 32.671 32.671 31.982 0.689 17588 5792 1 10 . 1 1 88 88 LYS H H 88 7.328 7.328 8.233 -0.905 17588 5793 1 10 . 1 1 89 89 SER N N 89 117.937 117.937 115.027 2.910 17588 5794 1 10 . 1 1 89 89 SER HA H 89 4.785 4.785 4.072 0.713 17588 5795 1 10 . 1 1 89 89 SER CA C 89 57.375 57.375 58.214 -0.839 17588 5796 1 10 . 1 1 89 89 SER CB C 89 64.838 64.838 62.264 2.574 17588 5797 1 10 . 1 1 89 89 SER H H 89 8.197 8.197 7.820 0.377 17588 5798 1 10 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.896 0.258 17588 5799 1 10 . 1 1 90 90 LYS C C 90 177.472 177.472 175.335 2.137 17588 5800 1 10 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.544 0.850 17588 5801 1 10 . 1 1 90 90 LYS CB C 90 31.767 31.767 31.459 0.308 17588 5802 1 10 . 1 1 90 90 LYS H H 90 7.981 7.981 8.667 -0.686 17588 5803 1 10 . 1 1 91 91 THR N N 91 113.435 113.435 115.773 -2.338 17588 5804 1 10 . 1 1 91 91 THR HA H 91 4.342 4.342 4.531 -0.189 17588 5805 1 10 . 1 1 91 91 THR C C 91 174.236 174.236 175.018 -0.782 17588 5806 1 10 . 1 1 91 91 THR CA C 91 61.203 61.203 61.070 0.133 17588 5807 1 10 . 1 1 91 91 THR CB C 91 69.254 69.254 70.854 -1.600 17588 5808 1 10 . 1 1 91 91 THR H H 91 7.942 7.942 7.806 0.136 17588 5809 1 10 . 1 1 92 92 ALA N N 92 129.685 129.685 130.293 -0.608 17588 5810 1 10 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.108 0.070 17588 5811 1 10 . 1 1 92 92 ALA C C 92 178.710 178.710 177.333 1.377 17588 5812 1 10 . 1 1 92 92 ALA CA C 92 53.583 53.583 54.418 -0.835 17588 5813 1 10 . 1 1 92 92 ALA CB C 92 18.081 18.081 19.039 -0.958 17588 5814 1 10 . 1 1 92 92 ALA H H 92 8.603 8.603 8.585 0.018 17588 5815 1 10 . 1 1 93 93 GLY N N 93 109.919 109.919 103.802 6.117 17588 5816 1 10 . 1 1 93 93 GLY C C 93 176.310 176.310 174.339 1.971 17588 5817 1 10 . 1 1 93 93 GLY CA C 93 45.505 45.505 44.600 0.905 17588 5818 1 10 . 1 1 93 93 GLY H H 93 8.823 8.823 7.769 1.054 17588 5819 1 10 . 1 1 94 94 LYS N N 94 120.949 120.949 121.965 -1.016 17588 5820 1 10 . 1 1 94 94 LYS HA H 94 3.792 3.792 3.905 -0.113 17588 5821 1 10 . 1 1 94 94 LYS C C 94 177.630 177.630 176.487 1.143 17588 5822 1 10 . 1 1 94 94 LYS CA C 94 59.606 59.606 58.348 1.258 17588 5823 1 10 . 1 1 94 94 LYS CB C 94 33.246 33.246 32.468 0.778 17588 5824 1 10 . 1 1 94 94 LYS H H 94 7.501 7.501 8.124 -0.623 17588 5825 1 10 . 1 1 95 95 TYR N N 95 113.034 113.034 117.113 -4.079 17588 5826 1 10 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.730 0.317 17588 5827 1 10 . 1 1 95 95 TYR C C 95 176.649 176.649 174.942 1.707 17588 5828 1 10 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.885 0.051 17588 5829 1 10 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.344 1.656 17588 5830 1 10 . 1 1 95 95 TYR H H 95 8.670 8.670 8.008 0.662 17588 5831 1 10 . 1 1 96 96 ASP N N 96 123.097 123.097 123.873 -0.776 17588 5832 1 10 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.643 -0.314 17588 5833 1 10 . 1 1 96 96 ASP C C 96 178.087 178.087 177.919 0.168 17588 5834 1 10 . 1 1 96 96 ASP CA C 96 58.619 58.619 55.794 2.825 17588 5835 1 10 . 1 1 96 96 ASP CB C 96 39.570 39.570 41.605 -2.035 17588 5836 1 10 . 1 1 96 96 ASP H H 96 7.756 7.756 8.440 -0.684 17588 5837 1 10 . 1 1 97 97 ARG N N 97 118.384 118.384 120.656 -2.272 17588 5838 1 10 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.183 0.079 17588 5839 1 10 . 1 1 97 97 ARG C C 97 179.927 179.927 178.212 1.715 17588 5840 1 10 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.338 0.408 17588 5841 1 10 . 1 1 97 97 ARG CB C 97 29.794 29.794 30.078 -0.284 17588 5842 1 10 . 1 1 97 97 ARG H H 97 8.897 8.897 8.601 0.296 17588 5843 1 10 . 1 1 98 98 VAL N N 98 119.642 119.642 117.516 2.126 17588 5844 1 10 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.023 -0.085 17588 5845 1 10 . 1 1 98 98 VAL C C 98 179.630 179.630 178.416 1.214 17588 5846 1 10 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.317 0.487 17588 5847 1 10 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.306 0.748 17588 5848 1 10 . 1 1 98 98 VAL H H 98 7.578 7.578 7.947 -0.369 17588 5849 1 10 . 1 1 99 99 TYR N N 99 122.432 122.432 120.770 1.662 17588 5850 1 10 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.054 -0.120 17588 5851 1 10 . 1 1 99 99 TYR C C 99 176.400 176.400 177.726 -1.326 17588 5852 1 10 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.935 0.970 17588 5853 1 10 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.236 0.086 17588 5854 1 10 . 1 1 99 99 TYR H H 99 8.635 8.635 7.780 0.855 17588 5855 1 10 . 1 1 100 100 ASN N N 100 117.211 117.211 117.209 0.002 17588 5856 1 10 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.191 0.095 17588 5857 1 10 . 1 1 100 100 ASN C C 100 178.488 178.488 177.885 0.603 17588 5858 1 10 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.401 -0.546 17588 5859 1 10 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.770 0.079 17588 5860 1 10 . 1 1 100 100 ASN H H 100 9.024 9.024 8.534 0.490 17588 5861 1 10 . 1 1 101 101 GLY N N 101 105.413 105.413 107.835 -2.422 17588 5862 1 10 . 1 1 101 101 GLY C C 101 175.833 175.833 175.512 0.321 17588 5863 1 10 . 1 1 101 101 GLY CA C 101 47.032 47.032 46.987 0.045 17588 5864 1 10 . 1 1 101 101 GLY H H 101 7.908 7.908 7.727 0.181 17588 5865 1 10 . 1 1 102 102 TYR N N 102 126.373 126.373 123.299 3.074 17588 5866 1 10 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.690 -0.223 17588 5867 1 10 . 1 1 102 102 TYR C C 102 176.016 176.016 177.721 -1.705 17588 5868 1 10 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.612 -1.059 17588 5869 1 10 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.339 -0.449 17588 5870 1 10 . 1 1 102 102 TYR H H 102 7.581 7.581 7.355 0.226 17588 5871 1 10 . 1 1 103 103 VAL N N 103 117.870 117.870 118.496 -0.626 17588 5872 1 10 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.324 -0.182 17588 5873 1 10 . 1 1 103 103 VAL C C 103 178.786 178.786 178.017 0.769 17588 5874 1 10 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.895 -0.318 17588 5875 1 10 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.876 0.871 17588 5876 1 10 . 1 1 103 103 VAL H H 103 7.510 7.510 7.678 -0.168 17588 5877 1 10 . 1 1 104 104 ILE N N 104 116.770 116.770 118.114 -1.344 17588 5878 1 10 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.796 -0.104 17588 5879 1 10 . 1 1 104 104 ILE C C 104 178.703 178.703 178.062 0.641 17588 5880 1 10 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.510 -0.672 17588 5881 1 10 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.584 0.348 17588 5882 1 10 . 1 1 104 104 ILE H H 104 7.056 7.056 7.272 -0.216 17588 5883 1 10 . 1 1 105 105 HIS N N 105 121.324 121.324 119.313 2.011 17588 5884 1 10 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.115 -0.163 17588 5885 1 10 . 1 1 105 105 HIS C C 105 176.974 176.974 177.832 -0.858 17588 5886 1 10 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.424 0.726 17588 5887 1 10 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.725 0.799 17588 5888 1 10 . 1 1 105 105 HIS H H 105 7.864 7.864 8.075 -0.211 17588 5889 1 10 . 1 1 106 106 LEU N N 106 115.126 115.126 120.167 -5.041 17588 5890 1 10 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.008 -0.173 17588 5891 1 10 . 1 1 106 106 LEU C C 106 177.315 177.315 178.166 -0.851 17588 5892 1 10 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.378 -1.671 17588 5893 1 10 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.674 0.367 17588 5894 1 10 . 1 1 106 106 LEU H H 106 7.517 7.517 8.182 -0.665 17588 5895 1 10 . 1 1 107 107 ASP N N 107 119.221 119.221 117.783 1.438 17588 5896 1 10 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.291 0.210 17588 5897 1 10 . 1 1 107 107 ASP C C 107 175.224 175.224 176.824 -1.600 17588 5898 1 10 . 1 1 107 107 ASP CA C 107 54.618 54.618 56.137 -1.519 17588 5899 1 10 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.615 0.150 17588 5900 1 10 . 1 1 107 107 ASP H H 107 7.512 7.512 7.671 -0.159 17588 5901 1 11 . 1 1 6 6 SER HA H 6 4.480 4.480 5.198 -0.718 17588 5902 1 11 . 1 1 6 6 SER C C 6 174.995 174.995 173.074 1.921 17588 5903 1 11 . 1 1 6 6 SER CA C 6 58.675 58.675 57.698 0.977 17588 5904 1 11 . 1 1 6 6 SER CB C 6 63.822 63.822 64.830 -1.008 17588 5905 1 11 . 1 1 7 7 GLY N N 7 110.458 110.458 108.846 1.612 17588 5906 1 11 . 1 1 7 7 GLY C C 7 173.853 173.853 172.920 0.933 17588 5907 1 11 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.657 0.690 17588 5908 1 11 . 1 1 7 7 GLY H H 7 8.394 8.394 8.653 -0.259 17588 5909 1 11 . 1 1 8 8 ASN N N 8 119.020 119.020 117.292 1.728 17588 5910 1 11 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.900 -0.143 17588 5911 1 11 . 1 1 8 8 ASN C C 8 175.389 175.389 174.082 1.307 17588 5912 1 11 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.627 0.604 17588 5913 1 11 . 1 1 8 8 ASN CB C 8 38.959 38.959 40.873 -1.915 17588 5914 1 11 . 1 1 8 8 ASN H H 8 8.308 8.308 8.512 -0.204 17588 5915 1 11 . 1 1 9 9 VAL N N 9 120.281 120.281 121.217 -0.936 17588 5916 1 11 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.316 -0.201 17588 5917 1 11 . 1 1 9 9 VAL C C 9 175.980 175.980 175.224 0.756 17588 5918 1 11 . 1 1 9 9 VAL CA C 9 62.468 62.468 61.796 0.672 17588 5919 1 11 . 1 1 9 9 VAL CB C 9 32.712 32.712 33.127 -0.415 17588 5920 1 11 . 1 1 9 9 VAL H H 9 8.173 8.173 8.307 -0.134 17588 5921 1 11 . 1 1 10 10 ASP N N 10 123.840 123.840 124.047 -0.207 17588 5922 1 11 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.978 -0.354 17588 5923 1 11 . 1 1 10 10 ASP C C 10 176.599 176.599 175.094 1.505 17588 5924 1 11 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.611 0.779 17588 5925 1 11 . 1 1 10 10 ASP CB C 10 41.343 41.343 42.365 -1.022 17588 5926 1 11 . 1 1 10 10 ASP H H 10 8.418 8.418 8.386 0.032 17588 5927 1 11 . 1 1 11 11 SER N N 11 117.003 117.003 115.033 1.970 17588 5928 1 11 . 1 1 11 11 SER HA H 11 4.395 4.395 4.771 -0.376 17588 5929 1 11 . 1 1 11 11 SER C C 11 174.834 174.834 172.890 1.944 17588 5930 1 11 . 1 1 11 11 SER CA C 11 58.886 58.886 57.535 1.351 17588 5931 1 11 . 1 1 11 11 SER CB C 11 63.740 63.740 65.231 -1.491 17588 5932 1 11 . 1 1 11 11 SER H H 11 8.312 8.312 8.554 -0.242 17588 5933 1 11 . 1 1 12 12 ASN N N 12 120.512 120.512 118.130 2.382 17588 5934 1 11 . 1 1 12 12 ASN HA H 12 4.685 4.685 5.468 -0.783 17588 5935 1 11 . 1 1 12 12 ASN C C 12 175.646 175.646 173.534 2.112 17588 5936 1 11 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.625 1.168 17588 5937 1 11 . 1 1 12 12 ASN CB C 12 38.630 38.630 40.697 -2.067 17588 5938 1 11 . 1 1 12 12 ASN H H 12 8.511 8.511 9.028 -0.517 17588 5939 1 11 . 1 1 13 13 GLN N N 13 120.057 120.057 118.379 1.678 17588 5940 1 11 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.562 -0.324 17588 5941 1 11 . 1 1 13 13 GLN C C 13 175.988 175.988 174.118 1.870 17588 5942 1 11 . 1 1 13 13 GLN CA C 13 56.447 56.447 54.983 1.464 17588 5943 1 11 . 1 1 13 13 GLN CB C 13 29.137 29.137 30.642 -1.505 17588 5944 1 11 . 1 1 13 13 GLN H H 13 8.258 8.258 9.048 -0.790 17588 5945 1 11 . 1 1 14 14 ASN N N 14 119.323 119.323 119.025 0.298 17588 5946 1 11 . 1 1 14 14 ASN HA H 14 4.685 4.685 5.129 -0.444 17588 5947 1 11 . 1 1 14 14 ASN C C 14 175.552 175.552 173.831 1.721 17588 5948 1 11 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.728 0.837 17588 5949 1 11 . 1 1 14 14 ASN CB C 14 38.763 38.763 40.622 -1.859 17588 5950 1 11 . 1 1 14 14 ASN H H 14 8.377 8.377 8.819 -0.442 17588 5951 1 11 . 1 1 15 15 LYS N N 15 121.938 121.938 118.928 3.010 17588 5952 1 11 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.563 -0.349 17588 5953 1 11 . 1 1 15 15 LYS C C 15 176.933 176.933 174.675 2.258 17588 5954 1 11 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.619 1.616 17588 5955 1 11 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.991 -1.238 17588 5956 1 11 . 1 1 15 15 LYS H H 15 8.224 8.224 8.410 -0.186 17588 5957 1 11 . 1 1 16 16 ALA N N 16 123.956 123.956 122.046 1.910 17588 5958 1 11 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.649 -0.375 17588 5959 1 11 . 1 1 16 16 ALA C C 16 178.593 178.593 176.700 1.893 17588 5960 1 11 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.505 1.937 17588 5961 1 11 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.436 -1.573 17588 5962 1 11 . 1 1 16 16 ALA H H 16 8.292 8.292 8.245 0.047 17588 5963 1 11 . 1 1 17 17 SER N N 17 114.462 114.462 115.993 -1.531 17588 5964 1 11 . 1 1 17 17 SER HA H 17 4.365 4.365 4.622 -0.257 17588 5965 1 11 . 1 1 17 17 SER C C 17 175.370 175.370 173.744 1.626 17588 5966 1 11 . 1 1 17 17 SER CA C 17 59.077 59.077 57.788 1.288 17588 5967 1 11 . 1 1 17 17 SER CB C 17 63.383 63.383 63.007 0.376 17588 5968 1 11 . 1 1 17 17 SER H H 17 8.200 8.200 8.455 -0.255 17588 5969 1 11 . 1 1 18 18 MET N N 18 121.999 121.999 124.851 -2.852 17588 5970 1 11 . 1 1 18 18 MET HA H 18 4.429 4.429 4.491 -0.062 17588 5971 1 11 . 1 1 18 18 MET C C 18 176.829 176.829 175.026 1.803 17588 5972 1 11 . 1 1 18 18 MET CA C 18 56.357 56.357 55.805 0.552 17588 5973 1 11 . 1 1 18 18 MET CB C 18 32.630 32.630 33.038 -0.408 17588 5974 1 11 . 1 1 18 18 MET H H 18 8.214 8.214 8.741 -0.527 17588 5975 1 11 . 1 1 19 19 LEU N N 19 122.083 122.083 126.103 -4.020 17588 5976 1 11 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.793 -0.537 17588 5977 1 11 . 1 1 19 19 LEU C C 19 177.774 177.774 174.723 3.051 17588 5978 1 11 . 1 1 19 19 LEU CA C 19 56.111 56.111 54.471 1.640 17588 5979 1 11 . 1 1 19 19 LEU CB C 19 42.041 42.041 45.069 -3.028 17588 5980 1 11 . 1 1 19 19 LEU H H 19 8.076 8.076 8.830 -0.754 17588 5981 1 11 . 1 1 20 20 GLN N N 20 120.123 120.123 123.363 -3.240 17588 5982 1 11 . 1 1 20 20 GLN HA H 20 4.207 4.207 5.310 -1.103 17588 5983 1 11 . 1 1 20 20 GLN C C 20 176.166 176.166 173.637 2.529 17588 5984 1 11 . 1 1 20 20 GLN CA C 20 56.409 56.409 55.356 1.053 17588 5985 1 11 . 1 1 20 20 GLN CB C 20 29.196 29.196 31.408 -2.212 17588 5986 1 11 . 1 1 20 20 GLN H H 20 8.174 8.174 8.972 -0.798 17588 5987 1 11 . 1 1 21 21 ALA N N 21 124.216 124.216 122.329 1.887 17588 5988 1 11 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.772 -0.518 17588 5989 1 11 . 1 1 21 21 ALA C C 21 178.034 178.034 175.900 2.134 17588 5990 1 11 . 1 1 21 21 ALA CA C 21 53.126 53.126 52.239 0.887 17588 5991 1 11 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.830 -1.759 17588 5992 1 11 . 1 1 21 21 ALA H H 21 8.151 8.151 8.542 -0.391 17588 5993 1 11 . 1 1 22 22 ARG N N 22 119.591 119.591 119.557 0.034 17588 5994 1 11 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.652 -0.344 17588 5995 1 11 . 1 1 22 22 ARG C C 22 176.750 176.750 174.599 2.151 17588 5996 1 11 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.940 0.487 17588 5997 1 11 . 1 1 22 22 ARG CB C 22 30.616 30.616 32.499 -1.883 17588 5998 1 11 . 1 1 22 22 ARG H H 22 8.147 8.147 8.540 -0.393 17588 5999 1 11 . 1 1 23 23 LEU N N 23 122.553 122.553 123.356 -0.803 17588 6000 1 11 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.669 -0.395 17588 6001 1 11 . 1 1 23 23 LEU C C 23 177.547 177.547 175.590 1.957 17588 6002 1 11 . 1 1 23 23 LEU CA C 23 55.690 55.690 55.259 0.431 17588 6003 1 11 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.423 -1.341 17588 6004 1 11 . 1 1 23 23 LEU H H 23 8.220 8.220 8.633 -0.413 17588 6005 1 11 . 1 1 24 24 ASN N N 24 118.666 118.666 120.594 -1.928 17588 6006 1 11 . 1 1 24 24 ASN HA H 24 4.673 4.673 5.069 -0.396 17588 6007 1 11 . 1 1 24 24 ASN C C 24 175.246 175.246 173.543 1.703 17588 6008 1 11 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.344 1.221 17588 6009 1 11 . 1 1 24 24 ASN CB C 24 38.836 38.836 40.858 -2.022 17588 6010 1 11 . 1 1 24 24 ASN H H 24 8.351 8.351 8.434 -0.083 17588 6011 1 11 . 1 1 25 25 ASP N N 25 120.897 120.897 119.629 1.268 17588 6012 1 11 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.952 -0.376 17588 6013 1 11 . 1 1 25 25 ASP C C 25 176.732 176.732 174.203 2.529 17588 6014 1 11 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.839 0.867 17588 6015 1 11 . 1 1 25 25 ASP CB C 25 41.219 41.219 42.647 -1.428 17588 6016 1 11 . 1 1 25 25 ASP H H 25 8.234 8.234 8.820 -0.586 17588 6017 1 11 . 1 1 26 26 GLU N N 26 121.168 121.168 120.528 0.640 17588 6018 1 11 . 1 1 26 26 GLU HA H 26 4.214 4.214 5.008 -0.794 17588 6019 1 11 . 1 1 26 26 GLU C C 26 176.857 176.857 174.838 2.019 17588 6020 1 11 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.148 2.099 17588 6021 1 11 . 1 1 26 26 GLU CB C 26 29.959 29.959 31.212 -1.252 17588 6022 1 11 . 1 1 26 26 GLU H H 26 8.368 8.368 8.641 -0.273 17588 6023 1 11 . 1 1 27 27 ALA N N 27 124.100 124.100 124.040 0.060 17588 6024 1 11 . 1 1 27 27 ALA HA H 27 4.317 4.317 5.136 -0.819 17588 6025 1 11 . 1 1 27 27 ALA C C 27 178.520 178.520 177.578 0.942 17588 6026 1 11 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.081 0.905 17588 6027 1 11 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.783 -0.838 17588 6028 1 11 . 1 1 27 27 ALA H H 27 8.289 8.289 8.973 -0.685 17588 6029 1 11 . 1 1 28 28 GLY N N 28 107.844 107.844 106.434 1.410 17588 6030 1 11 . 1 1 28 28 GLY C C 28 175.019 175.019 174.487 0.532 17588 6031 1 11 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.144 0.484 17588 6032 1 11 . 1 1 28 28 GLY H H 28 8.315 8.315 9.426 -1.111 17588 6033 1 11 . 1 1 29 29 GLY N N 29 108.754 108.754 111.453 -2.699 17588 6034 1 11 . 1 1 29 29 GLY C C 29 174.659 174.659 174.983 -0.324 17588 6035 1 11 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.257 0.230 17588 6036 1 11 . 1 1 29 29 GLY H H 29 8.266 8.266 8.152 0.114 17588 6037 1 11 . 1 1 30 30 THR N N 30 114.068 114.068 112.994 1.074 17588 6038 1 11 . 1 1 30 30 THR HA H 30 4.301 4.301 4.188 0.113 17588 6039 1 11 . 1 1 30 30 THR C C 30 174.789 174.789 175.022 -0.233 17588 6040 1 11 . 1 1 30 30 THR CA C 30 62.327 62.327 61.519 0.808 17588 6041 1 11 . 1 1 30 30 THR CB C 30 69.553 69.553 70.025 -0.472 17588 6042 1 11 . 1 1 30 30 THR H H 30 8.111 8.111 7.626 0.485 17588 6043 1 11 . 1 1 31 31 ARG N N 31 123.536 123.536 122.334 1.202 17588 6044 1 11 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.441 -0.142 17588 6045 1 11 . 1 1 31 31 ARG C C 31 176.125 176.125 175.538 0.587 17588 6046 1 11 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.889 0.573 17588 6047 1 11 . 1 1 31 31 ARG CB C 31 30.657 30.657 29.452 1.205 17588 6048 1 11 . 1 1 31 31 ARG H H 31 8.343 8.343 8.573 -0.230 17588 6049 1 11 . 1 1 32 32 LEU N N 32 122.865 122.865 126.655 -3.790 17588 6050 1 11 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.551 -0.232 17588 6051 1 11 . 1 1 32 32 LEU C C 32 177.036 177.036 176.138 0.898 17588 6052 1 11 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.144 1.089 17588 6053 1 11 . 1 1 32 32 LEU CB C 32 42.264 42.264 42.175 0.089 17588 6054 1 11 . 1 1 32 32 LEU H H 32 8.203 8.203 8.294 -0.091 17588 6055 1 11 . 1 1 33 33 LEU N N 33 123.054 123.054 124.626 -1.572 17588 6056 1 11 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.697 -0.361 17588 6057 1 11 . 1 1 33 33 LEU C C 33 177.022 177.022 176.537 0.485 17588 6058 1 11 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.581 0.488 17588 6059 1 11 . 1 1 33 33 LEU CB C 33 42.288 42.288 43.030 -0.742 17588 6060 1 11 . 1 1 33 33 LEU H H 33 8.150 8.150 8.415 -0.265 17588 6061 1 11 . 1 1 34 34 ARG N N 34 122.226 122.226 121.941 0.285 17588 6062 1 11 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.605 -0.268 17588 6063 1 11 . 1 1 34 34 ARG C C 34 175.950 175.950 175.064 0.886 17588 6064 1 11 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.009 0.909 17588 6065 1 11 . 1 1 34 34 ARG CB C 34 30.781 30.781 31.865 -1.084 17588 6066 1 11 . 1 1 34 34 ARG H H 34 8.248 8.248 8.412 -0.164 17588 6067 1 11 . 1 1 35 35 VAL N N 35 121.294 121.294 123.589 -2.295 17588 6068 1 11 . 1 1 35 35 VAL HA H 35 4.041 4.041 3.878 0.163 17588 6069 1 11 . 1 1 35 35 VAL C C 35 175.709 175.709 174.924 0.785 17588 6070 1 11 . 1 1 35 35 VAL CA C 35 62.240 62.240 61.785 0.455 17588 6071 1 11 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.587 0.166 17588 6072 1 11 . 1 1 35 35 VAL H H 35 8.107 8.107 8.201 -0.094 17588 6073 1 11 . 1 1 36 36 HIS N N 36 123.522 123.522 123.283 0.239 17588 6074 1 11 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.246 0.352 17588 6075 1 11 . 1 1 36 36 HIS C C 36 174.825 174.825 173.909 0.916 17588 6076 1 11 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.528 -0.417 17588 6077 1 11 . 1 1 36 36 HIS CB C 36 30.944 30.944 28.913 2.031 17588 6078 1 11 . 1 1 36 36 HIS H H 36 8.410 8.410 8.269 0.141 17588 6079 1 11 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.622 -0.022 17588 6080 1 11 . 1 1 37 37 HIS C C 37 175.173 175.173 174.006 1.167 17588 6081 1 11 . 1 1 37 37 HIS CA C 37 56.217 56.217 54.653 1.564 17588 6082 1 11 . 1 1 37 37 HIS CB C 37 31.027 31.027 32.515 -1.488 17588 6083 1 11 . 1 1 38 38 GLU N N 38 122.826 122.826 121.729 1.097 17588 6084 1 11 . 1 1 38 38 GLU HA H 38 4.255 4.255 3.966 0.289 17588 6085 1 11 . 1 1 38 38 GLU C C 38 176.483 176.483 177.945 -1.462 17588 6086 1 11 . 1 1 38 38 GLU CA C 38 56.919 56.919 59.215 -2.296 17588 6087 1 11 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.156 0.172 17588 6088 1 11 . 1 1 38 38 GLU H H 38 8.569 8.569 8.862 -0.293 17588 6089 1 11 . 1 1 39 39 SER N N 39 116.398 116.398 113.804 2.594 17588 6090 1 11 . 1 1 39 39 SER HA H 39 4.454 4.454 4.159 0.295 17588 6091 1 11 . 1 1 39 39 SER C C 39 174.497 174.497 175.022 -0.525 17588 6092 1 11 . 1 1 39 39 SER CA C 39 58.552 58.552 60.573 -2.021 17588 6093 1 11 . 1 1 39 39 SER CB C 39 64.028 64.028 63.136 0.892 17588 6094 1 11 . 1 1 39 39 SER H H 39 8.444 8.444 7.998 0.446 17588 6095 1 11 . 1 1 40 40 ASP N N 40 122.831 122.831 122.670 0.161 17588 6096 1 11 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.590 0.082 17588 6097 1 11 . 1 1 40 40 ASP C C 40 176.783 176.783 174.839 1.944 17588 6098 1 11 . 1 1 40 40 ASP CA C 40 54.759 54.759 55.556 -0.797 17588 6099 1 11 . 1 1 40 40 ASP CB C 40 41.014 41.014 40.058 0.956 17588 6100 1 11 . 1 1 40 40 ASP H H 40 8.469 8.469 8.515 -0.046 17588 6101 1 11 . 1 1 41 41 THR N N 41 113.679 113.679 117.880 -4.201 17588 6102 1 11 . 1 1 41 41 THR HA H 41 4.181 4.181 4.500 -0.319 17588 6103 1 11 . 1 1 41 41 THR C C 41 175.314 175.314 173.608 1.706 17588 6104 1 11 . 1 1 41 41 THR CA C 41 62.819 62.819 61.235 1.584 17588 6105 1 11 . 1 1 41 41 THR CB C 41 69.576 69.576 70.750 -1.174 17588 6106 1 11 . 1 1 41 41 THR H H 41 8.066 8.066 7.840 0.226 17588 6107 1 11 . 1 1 42 42 GLU N N 42 122.776 122.776 126.675 -3.899 17588 6108 1 11 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.123 0.085 17588 6109 1 11 . 1 1 42 42 GLU C C 42 177.129 177.129 175.999 1.130 17588 6110 1 11 . 1 1 42 42 GLU CA C 42 57.322 57.322 57.144 0.178 17588 6111 1 11 . 1 1 42 42 GLU CB C 42 30.000 30.000 29.688 0.312 17588 6112 1 11 . 1 1 42 42 GLU H H 42 8.343 8.343 8.615 -0.272 17588 6113 1 11 . 1 1 43 43 GLU N N 43 121.898 121.898 125.614 -3.716 17588 6114 1 11 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.501 -0.290 17588 6115 1 11 . 1 1 43 43 GLU C C 43 177.313 177.313 176.426 0.887 17588 6116 1 11 . 1 1 43 43 GLU CA C 43 57.453 57.453 57.146 0.307 17588 6117 1 11 . 1 1 43 43 GLU CB C 43 29.959 29.959 30.618 -0.659 17588 6118 1 11 . 1 1 43 43 GLU H H 43 8.397 8.397 8.516 -0.119 17588 6119 1 11 . 1 1 44 44 ARG N N 44 121.336 121.336 120.631 0.705 17588 6120 1 11 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.018 0.208 17588 6121 1 11 . 1 1 44 44 ARG C C 44 178.048 178.048 177.606 0.442 17588 6122 1 11 . 1 1 44 44 ARG CA C 44 57.779 57.779 57.945 -0.166 17588 6123 1 11 . 1 1 44 44 ARG CB C 44 30.366 30.366 30.432 -0.066 17588 6124 1 11 . 1 1 44 44 ARG H H 44 8.401 8.401 8.446 -0.045 17588 6125 1 11 . 1 1 45 45 GLY N N 45 109.098 109.098 114.717 -5.619 17588 6126 1 11 . 1 1 45 45 GLY C C 45 175.522 175.522 175.351 0.171 17588 6127 1 11 . 1 1 45 45 GLY CA C 45 46.400 46.400 46.416 -0.016 17588 6128 1 11 . 1 1 45 45 GLY H H 45 8.536 8.536 8.734 -0.198 17588 6129 1 11 . 1 1 46 46 PHE N N 46 121.592 121.592 123.409 -1.817 17588 6130 1 11 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.281 0.136 17588 6131 1 11 . 1 1 46 46 PHE C C 46 177.561 177.561 176.301 1.260 17588 6132 1 11 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.276 -1.196 17588 6133 1 11 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.267 -0.356 17588 6134 1 11 . 1 1 46 46 PHE H H 46 8.071 8.071 7.891 0.180 17588 6135 1 11 . 1 1 47 47 LEU N N 47 121.344 121.344 119.088 2.256 17588 6136 1 11 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.480 0.562 17588 6137 1 11 . 1 1 47 47 LEU C C 47 179.621 179.621 178.605 1.016 17588 6138 1 11 . 1 1 47 47 LEU CA C 47 57.460 57.460 58.157 -0.698 17588 6139 1 11 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.501 0.136 17588 6140 1 11 . 1 1 47 47 LEU H H 47 8.215 8.215 8.260 -0.045 17588 6141 1 11 . 1 1 48 48 GLU N N 48 121.986 121.986 118.531 3.455 17588 6142 1 11 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.692 0.296 17588 6143 1 11 . 1 1 48 48 GLU C C 48 177.573 177.573 178.176 -0.603 17588 6144 1 11 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.475 -0.168 17588 6145 1 11 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.052 0.596 17588 6146 1 11 . 1 1 48 48 GLU H H 48 8.225 8.225 8.394 -0.169 17588 6147 1 11 . 1 1 49 49 LYS N N 49 118.759 118.759 118.200 0.559 17588 6148 1 11 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.095 0.148 17588 6149 1 11 . 1 1 49 49 LYS C C 49 177.659 177.659 178.097 -0.438 17588 6150 1 11 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.710 0.176 17588 6151 1 11 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.111 0.191 17588 6152 1 11 . 1 1 49 49 LYS H H 49 7.790 7.790 7.536 0.254 17588 6153 1 11 . 1 1 50 50 ALA N N 50 120.023 120.023 120.781 -0.758 17588 6154 1 11 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.830 0.129 17588 6155 1 11 . 1 1 50 50 ALA C C 50 180.486 180.486 179.322 1.164 17588 6156 1 11 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.769 0.113 17588 6157 1 11 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.611 0.266 17588 6158 1 11 . 1 1 50 50 ALA H H 50 7.798 7.798 7.072 0.726 17588 6159 1 11 . 1 1 51 51 ALA N N 51 121.955 121.955 120.969 0.986 17588 6160 1 11 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.898 0.215 17588 6161 1 11 . 1 1 51 51 ALA C C 51 180.762 180.762 179.725 1.037 17588 6162 1 11 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.175 -0.064 17588 6163 1 11 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.078 -0.037 17588 6164 1 11 . 1 1 51 51 ALA H H 51 7.809 7.809 7.519 0.290 17588 6165 1 11 . 1 1 52 52 VAL N N 52 120.415 120.415 118.325 2.090 17588 6166 1 11 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.769 -0.119 17588 6167 1 11 . 1 1 52 52 VAL C C 52 178.567 178.567 178.515 0.052 17588 6168 1 11 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.043 1.183 17588 6169 1 11 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.142 0.968 17588 6170 1 11 . 1 1 52 52 VAL H H 52 7.944 7.944 7.653 0.291 17588 6171 1 11 . 1 1 53 53 LYS N N 53 119.231 119.231 119.857 -0.626 17588 6172 1 11 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.712 -0.148 17588 6173 1 11 . 1 1 53 53 LYS C C 53 178.546 178.546 179.035 -0.489 17588 6174 1 11 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.060 1.660 17588 6175 1 11 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.882 0.369 17588 6176 1 11 . 1 1 53 53 LYS H H 53 8.132 8.132 8.124 0.008 17588 6177 1 11 . 1 1 54 54 LYS N N 54 119.514 119.514 119.778 -0.264 17588 6178 1 11 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.934 0.059 17588 6179 1 11 . 1 1 54 54 LYS C C 54 179.987 179.987 179.164 0.823 17588 6180 1 11 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.375 0.862 17588 6181 1 11 . 1 1 54 54 LYS CB C 54 32.483 32.483 31.979 0.504 17588 6182 1 11 . 1 1 54 54 LYS H H 54 7.956 7.956 8.409 -0.453 17588 6183 1 11 . 1 1 55 55 MET N N 55 119.732 119.732 116.700 3.032 17588 6184 1 11 . 1 1 55 55 MET HA H 55 4.251 4.251 4.029 0.222 17588 6185 1 11 . 1 1 55 55 MET C C 55 177.536 177.536 178.352 -0.816 17588 6186 1 11 . 1 1 55 55 MET CA C 55 58.396 58.396 58.232 0.164 17588 6187 1 11 . 1 1 55 55 MET CB C 55 34.228 34.228 31.555 2.673 17588 6188 1 11 . 1 1 55 55 MET H H 55 7.816 7.816 8.197 -0.381 17588 6189 1 11 . 1 1 56 56 ALA N N 56 122.295 122.295 122.261 0.034 17588 6190 1 11 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.089 0.063 17588 6191 1 11 . 1 1 56 56 ALA C C 56 179.615 179.615 179.521 0.094 17588 6192 1 11 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.302 0.036 17588 6193 1 11 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.091 1.015 17588 6194 1 11 . 1 1 56 56 ALA H H 56 8.724 8.724 7.969 0.755 17588 6195 1 11 . 1 1 57 57 LYS N N 57 117.704 117.704 119.530 -1.826 17588 6196 1 11 . 1 1 57 57 LYS HA H 57 4.084 4.084 3.907 0.177 17588 6197 1 11 . 1 1 57 57 LYS C C 57 179.358 179.358 178.818 0.540 17588 6198 1 11 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.745 0.229 17588 6199 1 11 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.182 0.319 17588 6200 1 11 . 1 1 57 57 LYS H H 57 8.444 8.444 7.748 0.696 17588 6201 1 11 . 1 1 58 58 ALA N N 58 122.736 122.736 120.889 1.847 17588 6202 1 11 . 1 1 58 58 ALA HA H 58 4.171 4.171 3.995 0.176 17588 6203 1 11 . 1 1 58 58 ALA C C 58 180.708 180.708 179.457 1.251 17588 6204 1 11 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.127 -0.016 17588 6205 1 11 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.214 -0.666 17588 6206 1 11 . 1 1 58 58 ALA H H 58 7.701 7.701 7.487 0.214 17588 6207 1 11 . 1 1 59 59 ILE N N 59 117.672 117.672 119.256 -1.584 17588 6208 1 11 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.896 -0.223 17588 6209 1 11 . 1 1 59 59 ILE C C 59 177.728 177.728 178.631 -0.903 17588 6210 1 11 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.608 -0.630 17588 6211 1 11 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.944 -0.131 17588 6212 1 11 . 1 1 59 59 ILE H H 59 7.547 7.547 7.293 0.254 17588 6213 1 11 . 1 1 60 60 MET N N 60 117.653 117.653 116.759 0.894 17588 6214 1 11 . 1 1 60 60 MET HA H 60 4.098 4.098 4.072 0.026 17588 6215 1 11 . 1 1 60 60 MET C C 60 178.085 178.085 178.237 -0.152 17588 6216 1 11 . 1 1 60 60 MET CA C 60 58.060 58.060 58.312 -0.252 17588 6217 1 11 . 1 1 60 60 MET CB C 60 32.178 32.178 31.844 0.334 17588 6218 1 11 . 1 1 60 60 MET H H 60 7.718 7.718 8.380 -0.662 17588 6219 1 11 . 1 1 61 61 ALA N N 61 118.874 118.874 120.789 -1.915 17588 6220 1 11 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.314 -0.040 17588 6221 1 11 . 1 1 61 61 ALA C C 61 177.758 177.758 177.887 -0.129 17588 6222 1 11 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.788 0.653 17588 6223 1 11 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.733 -0.665 17588 6224 1 11 . 1 1 61 61 ALA H H 61 7.513 7.513 7.512 0.001 17588 6225 1 11 . 1 1 62 62 ASP N N 62 115.735 115.735 119.182 -3.447 17588 6226 1 11 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.067 -0.134 17588 6227 1 11 . 1 1 62 62 ASP C C 62 172.960 172.960 174.982 -2.022 17588 6228 1 11 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.846 -0.722 17588 6229 1 11 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.871 -0.487 17588 6230 1 11 . 1 1 62 62 ASP H H 62 7.615 7.615 8.452 -0.837 17588 6231 1 11 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.341 0.105 17588 6232 1 11 . 1 1 63 63 PRO C C 63 179.157 179.157 177.691 1.466 17588 6233 1 11 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.655 -0.256 17588 6234 1 11 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.336 -0.076 17588 6235 1 11 . 1 1 64 64 ASN N N 64 115.566 115.566 116.193 -0.627 17588 6236 1 11 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.470 0.082 17588 6237 1 11 . 1 1 64 64 ASN C C 64 176.867 176.867 176.974 -0.107 17588 6238 1 11 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.410 -0.089 17588 6239 1 11 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.175 0.726 17588 6240 1 11 . 1 1 64 64 ASN H H 64 8.094 8.094 8.656 -0.562 17588 6241 1 11 . 1 1 65 65 LYS N N 65 118.691 118.691 120.408 -1.717 17588 6242 1 11 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.037 0.141 17588 6243 1 11 . 1 1 65 65 LYS C C 65 175.844 175.844 178.076 -2.232 17588 6244 1 11 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.122 -1.888 17588 6245 1 11 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.967 0.910 17588 6246 1 11 . 1 1 65 65 LYS H H 65 8.185 8.185 7.421 0.764 17588 6247 1 11 . 1 1 66 66 ALA N N 66 120.147 120.147 121.731 -1.584 17588 6248 1 11 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.297 -0.255 17588 6249 1 11 . 1 1 66 66 ALA C C 66 176.697 176.697 178.456 -1.759 17588 6250 1 11 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.697 0.115 17588 6251 1 11 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.861 0.373 17588 6252 1 11 . 1 1 66 66 ALA H H 66 7.233 7.233 7.820 -0.587 17588 6253 1 11 . 1 1 67 67 ASP N N 67 114.524 114.524 117.795 -3.271 17588 6254 1 11 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.356 -0.183 17588 6255 1 11 . 1 1 67 67 ASP C C 67 178.071 178.071 178.007 0.064 17588 6256 1 11 . 1 1 67 67 ASP CA C 67 58.368 58.368 58.731 -0.363 17588 6257 1 11 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.635 0.009 17588 6258 1 11 . 1 1 67 67 ASP H H 67 8.114 8.114 8.540 -0.426 17588 6259 1 11 . 1 1 68 68 GLU N N 68 117.486 117.486 118.943 -1.457 17588 6260 1 11 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.976 -0.083 17588 6261 1 11 . 1 1 68 68 GLU C C 68 178.885 178.885 178.681 0.204 17588 6262 1 11 . 1 1 68 68 GLU CA C 68 58.745 58.745 59.266 -0.521 17588 6263 1 11 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.407 0.254 17588 6264 1 11 . 1 1 68 68 GLU H H 68 7.846 7.846 7.649 0.197 17588 6265 1 11 . 1 1 69 69 VAL N N 69 120.957 120.957 119.932 1.025 17588 6266 1 11 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.185 -0.139 17588 6267 1 11 . 1 1 69 69 VAL C C 69 176.618 176.618 178.032 -1.414 17588 6268 1 11 . 1 1 69 69 VAL CA C 69 66.453 66.453 65.722 0.731 17588 6269 1 11 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.364 0.675 17588 6270 1 11 . 1 1 69 69 VAL H H 69 7.325 7.325 8.173 -0.848 17588 6271 1 11 . 1 1 70 70 TYR N N 70 117.638 117.638 118.006 -0.368 17588 6272 1 11 . 1 1 70 70 TYR HA H 70 4.175 4.175 3.960 0.215 17588 6273 1 11 . 1 1 70 70 TYR C C 70 178.493 178.493 178.095 0.398 17588 6274 1 11 . 1 1 70 70 TYR CA C 70 57.481 57.481 61.151 -3.670 17588 6275 1 11 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.497 -2.634 17588 6276 1 11 . 1 1 70 70 TYR H H 70 8.483 8.483 7.979 0.504 17588 6277 1 11 . 1 1 71 71 LYS N N 71 117.283 117.283 117.387 -0.104 17588 6278 1 11 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.158 0.056 17588 6279 1 11 . 1 1 71 71 LYS C C 71 178.790 178.790 179.335 -0.545 17588 6280 1 11 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.441 0.351 17588 6281 1 11 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.080 0.428 17588 6282 1 11 . 1 1 71 71 LYS H H 71 7.754 7.754 7.597 0.157 17588 6283 1 11 . 1 1 72 72 LYS N N 72 120.053 120.053 120.302 -0.249 17588 6284 1 11 . 1 1 72 72 LYS HA H 72 4.141 4.141 4.008 0.133 17588 6285 1 11 . 1 1 72 72 LYS C C 72 180.399 180.399 178.957 1.442 17588 6286 1 11 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.495 0.233 17588 6287 1 11 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.162 -0.148 17588 6288 1 11 . 1 1 72 72 LYS H H 72 7.386 7.386 7.813 -0.427 17588 6289 1 11 . 1 1 73 73 TRP N N 73 121.910 121.910 120.093 1.817 17588 6290 1 11 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.373 0.140 17588 6291 1 11 . 1 1 73 73 TRP C C 73 177.981 177.981 178.777 -0.796 17588 6292 1 11 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.641 -1.726 17588 6293 1 11 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.577 0.985 17588 6294 1 11 . 1 1 73 73 TRP H H 73 8.659 8.659 8.221 0.438 17588 6295 1 11 . 1 1 74 74 ALA N N 74 123.471 123.471 120.637 2.834 17588 6296 1 11 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.297 0.195 17588 6297 1 11 . 1 1 74 74 ALA C C 74 182.881 182.881 179.846 3.035 17588 6298 1 11 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.093 0.256 17588 6299 1 11 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.580 -0.188 17588 6300 1 11 . 1 1 74 74 ALA H H 74 9.137 9.137 8.274 0.863 17588 6301 1 11 . 1 1 75 75 ASP N N 75 121.896 121.896 117.411 4.485 17588 6302 1 11 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.457 0.007 17588 6303 1 11 . 1 1 75 75 ASP C C 75 178.714 178.714 178.299 0.415 17588 6304 1 11 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.199 0.895 17588 6305 1 11 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.638 -0.053 17588 6306 1 11 . 1 1 75 75 ASP H H 75 8.804 8.804 7.840 0.964 17588 6307 1 11 . 1 1 76 76 LYS N N 76 118.966 118.966 117.382 1.584 17588 6308 1 11 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.048 -0.019 17588 6309 1 11 . 1 1 76 76 LYS C C 76 176.868 176.868 178.026 -1.158 17588 6310 1 11 . 1 1 76 76 LYS CA C 76 56.497 56.497 57.152 -0.655 17588 6311 1 11 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.935 -1.250 17588 6312 1 11 . 1 1 76 76 LYS H H 76 7.630 7.630 8.337 -0.707 17588 6313 1 11 . 1 1 77 77 GLY N N 77 107.310 107.310 106.484 0.826 17588 6314 1 11 . 1 1 77 77 GLY C C 77 175.407 175.407 173.982 1.425 17588 6315 1 11 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.697 0.492 17588 6316 1 11 . 1 1 77 77 GLY H H 77 7.901 7.901 7.612 0.289 17588 6317 1 11 . 1 1 78 78 TYR N N 78 117.917 117.917 119.714 -1.797 17588 6318 1 11 . 1 1 78 78 TYR HA H 78 5.292 5.292 5.095 0.197 17588 6319 1 11 . 1 1 78 78 TYR C C 78 178.422 178.422 175.158 3.264 17588 6320 1 11 . 1 1 78 78 TYR CA C 78 55.545 55.545 55.768 -0.223 17588 6321 1 11 . 1 1 78 78 TYR CB C 78 36.781 36.781 41.270 -4.489 17588 6322 1 11 . 1 1 78 78 TYR H H 78 7.506 7.506 7.677 -0.171 17588 6323 1 11 . 1 1 79 79 THR N N 79 119.420 119.420 111.733 7.687 17588 6324 1 11 . 1 1 79 79 THR HA H 79 4.518 4.518 4.820 -0.302 17588 6325 1 11 . 1 1 79 79 THR C C 79 175.648 175.648 175.138 0.510 17588 6326 1 11 . 1 1 79 79 THR CA C 79 60.027 60.027 60.023 0.004 17588 6327 1 11 . 1 1 79 79 THR CB C 79 71.622 71.622 70.237 1.385 17588 6328 1 11 . 1 1 79 79 THR H H 79 8.957 8.957 8.254 0.703 17588 6329 1 11 . 1 1 80 80 LEU N N 80 119.655 119.655 123.316 -3.661 17588 6330 1 11 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.070 0.110 17588 6331 1 11 . 1 1 80 80 LEU C C 80 180.085 180.085 178.414 1.671 17588 6332 1 11 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.679 0.234 17588 6333 1 11 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.797 -2.144 17588 6334 1 11 . 1 1 80 80 LEU H H 80 9.005 9.005 8.869 0.136 17588 6335 1 11 . 1 1 81 81 THR N N 81 115.259 115.259 112.978 2.281 17588 6336 1 11 . 1 1 81 81 THR HA H 81 3.939 3.939 3.963 -0.024 17588 6337 1 11 . 1 1 81 81 THR C C 81 177.000 177.000 176.827 0.173 17588 6338 1 11 . 1 1 81 81 THR CA C 81 66.349 66.349 66.678 -0.329 17588 6339 1 11 . 1 1 81 81 THR CB C 81 68.591 68.591 68.471 0.121 17588 6340 1 11 . 1 1 81 81 THR H H 81 8.135 8.135 8.122 0.013 17588 6341 1 11 . 1 1 82 82 GLN N N 82 121.304 121.304 120.032 1.272 17588 6342 1 11 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.723 -0.070 17588 6343 1 11 . 1 1 82 82 GLN C C 82 178.354 178.354 177.860 0.494 17588 6344 1 11 . 1 1 82 82 GLN CA C 82 58.640 58.640 57.951 0.689 17588 6345 1 11 . 1 1 82 82 GLN CB C 82 28.914 28.914 27.786 1.128 17588 6346 1 11 . 1 1 82 82 GLN H H 82 7.641 7.641 7.620 0.021 17588 6347 1 11 . 1 1 83 83 MET N N 83 117.464 117.464 119.547 -2.083 17588 6348 1 11 . 1 1 83 83 MET HA H 83 4.425 4.425 3.868 0.557 17588 6349 1 11 . 1 1 83 83 MET C C 83 177.906 177.906 177.960 -0.054 17588 6350 1 11 . 1 1 83 83 MET CA C 83 55.462 55.462 57.971 -2.509 17588 6351 1 11 . 1 1 83 83 MET CB C 83 29.014 29.014 32.043 -3.029 17588 6352 1 11 . 1 1 83 83 MET H H 83 8.665 8.665 8.422 0.243 17588 6353 1 11 . 1 1 84 84 SER N N 84 114.879 114.879 115.137 -0.258 17588 6354 1 11 . 1 1 84 84 SER HA H 84 3.689 3.689 3.908 -0.219 17588 6355 1 11 . 1 1 84 84 SER C C 84 176.666 176.666 175.958 0.708 17588 6356 1 11 . 1 1 84 84 SER CA C 84 61.347 61.347 61.255 0.092 17588 6357 1 11 . 1 1 84 84 SER CB C 84 62.356 62.356 62.787 -0.431 17588 6358 1 11 . 1 1 84 84 SER H H 84 8.607 8.607 8.172 0.435 17588 6359 1 11 . 1 1 85 85 ASN N N 85 117.904 117.904 118.296 -0.392 17588 6360 1 11 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.365 0.050 17588 6361 1 11 . 1 1 85 85 ASN C C 85 177.997 177.997 177.857 0.140 17588 6362 1 11 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.544 0.409 17588 6363 1 11 . 1 1 85 85 ASN CB C 85 38.260 38.260 38.132 0.128 17588 6364 1 11 . 1 1 85 85 ASN H H 85 7.204 7.204 7.531 -0.327 17588 6365 1 11 . 1 1 86 86 PHE N N 86 118.316 118.316 118.262 0.054 17588 6366 1 11 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.225 0.203 17588 6367 1 11 . 1 1 86 86 PHE C C 86 177.478 177.478 176.519 0.959 17588 6368 1 11 . 1 1 86 86 PHE CA C 86 58.394 58.394 60.056 -1.662 17588 6369 1 11 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.917 -0.082 17588 6370 1 11 . 1 1 86 86 PHE H H 86 8.367 8.367 7.476 0.891 17588 6371 1 11 . 1 1 87 87 LEU N N 87 112.533 112.533 116.823 -4.290 17588 6372 1 11 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.323 -0.223 17588 6373 1 11 . 1 1 87 87 LEU C C 87 176.474 176.474 176.864 -0.390 17588 6374 1 11 . 1 1 87 87 LEU CA C 87 54.549 54.549 53.803 0.745 17588 6375 1 11 . 1 1 87 87 LEU CB C 87 41.371 41.371 40.870 0.500 17588 6376 1 11 . 1 1 87 87 LEU H H 87 7.778 7.778 7.715 0.063 17588 6377 1 11 . 1 1 88 88 LYS N N 88 119.798 119.798 119.860 -0.062 17588 6378 1 11 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.222 0.026 17588 6379 1 11 . 1 1 88 88 LYS C C 88 176.594 176.594 176.001 0.593 17588 6380 1 11 . 1 1 88 88 LYS CA C 88 57.674 57.674 55.446 2.228 17588 6381 1 11 . 1 1 88 88 LYS CB C 88 32.671 32.671 30.489 2.182 17588 6382 1 11 . 1 1 88 88 LYS H H 88 7.328 7.328 7.660 -0.332 17588 6383 1 11 . 1 1 89 89 SER N N 89 117.937 117.937 117.370 0.567 17588 6384 1 11 . 1 1 89 89 SER HA H 89 4.785 4.785 4.388 0.397 17588 6385 1 11 . 1 1 89 89 SER CA C 89 57.375 57.375 57.771 -0.396 17588 6386 1 11 . 1 1 89 89 SER CB C 89 64.838 64.838 62.347 2.491 17588 6387 1 11 . 1 1 89 89 SER H H 89 8.197 8.197 7.954 0.243 17588 6388 1 11 . 1 1 90 90 LYS HA H 90 4.154 4.154 4.051 0.103 17588 6389 1 11 . 1 1 90 90 LYS C C 90 177.472 177.472 175.463 2.009 17588 6390 1 11 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.708 0.686 17588 6391 1 11 . 1 1 90 90 LYS CB C 90 31.767 31.767 31.870 -0.103 17588 6392 1 11 . 1 1 90 90 LYS H H 90 7.981 7.981 8.239 -0.258 17588 6393 1 11 . 1 1 91 91 THR N N 91 113.435 113.435 120.491 -7.056 17588 6394 1 11 . 1 1 91 91 THR HA H 91 4.342 4.342 4.425 -0.083 17588 6395 1 11 . 1 1 91 91 THR C C 91 174.236 174.236 174.661 -0.425 17588 6396 1 11 . 1 1 91 91 THR CA C 91 61.203 61.203 61.769 -0.566 17588 6397 1 11 . 1 1 91 91 THR CB C 91 69.254 69.254 70.630 -1.376 17588 6398 1 11 . 1 1 91 91 THR H H 91 7.942 7.942 7.515 0.427 17588 6399 1 11 . 1 1 92 92 ALA N N 92 129.685 129.685 127.104 2.581 17588 6400 1 11 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.094 0.084 17588 6401 1 11 . 1 1 92 92 ALA C C 92 178.710 178.710 176.943 1.767 17588 6402 1 11 . 1 1 92 92 ALA CA C 92 53.583 53.583 54.161 -0.578 17588 6403 1 11 . 1 1 92 92 ALA CB C 92 18.081 18.081 19.005 -0.923 17588 6404 1 11 . 1 1 92 92 ALA H H 92 8.603 8.603 8.697 -0.094 17588 6405 1 11 . 1 1 93 93 GLY N N 93 109.919 109.919 105.526 4.393 17588 6406 1 11 . 1 1 93 93 GLY C C 93 176.310 176.310 172.761 3.549 17588 6407 1 11 . 1 1 93 93 GLY CA C 93 45.505 45.505 44.953 0.552 17588 6408 1 11 . 1 1 93 93 GLY H H 93 8.823 8.823 7.777 1.046 17588 6409 1 11 . 1 1 94 94 LYS N N 94 120.949 120.949 124.658 -3.709 17588 6410 1 11 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.391 -0.599 17588 6411 1 11 . 1 1 94 94 LYS C C 94 177.630 177.630 175.977 1.653 17588 6412 1 11 . 1 1 94 94 LYS CA C 94 59.606 59.606 55.652 3.954 17588 6413 1 11 . 1 1 94 94 LYS CB C 94 33.246 33.246 34.565 -1.319 17588 6414 1 11 . 1 1 94 94 LYS H H 94 7.501 7.501 8.114 -0.613 17588 6415 1 11 . 1 1 95 95 TYR N N 95 113.034 113.034 119.615 -6.581 17588 6416 1 11 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.223 0.824 17588 6417 1 11 . 1 1 95 95 TYR C C 95 176.649 176.649 175.889 0.760 17588 6418 1 11 . 1 1 95 95 TYR CA C 95 56.936 56.936 58.788 -1.852 17588 6419 1 11 . 1 1 95 95 TYR CB C 95 39.000 39.000 35.873 3.127 17588 6420 1 11 . 1 1 95 95 TYR H H 95 8.670 8.670 8.932 -0.262 17588 6421 1 11 . 1 1 96 96 ASP N N 96 123.097 123.097 119.442 3.655 17588 6422 1 11 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.480 -0.151 17588 6423 1 11 . 1 1 96 96 ASP C C 96 178.087 178.087 178.380 -0.293 17588 6424 1 11 . 1 1 96 96 ASP CA C 96 58.619 58.619 57.199 1.420 17588 6425 1 11 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.651 -1.081 17588 6426 1 11 . 1 1 96 96 ASP H H 96 7.756 7.756 8.593 -0.837 17588 6427 1 11 . 1 1 97 97 ARG N N 97 118.384 118.384 119.603 -1.219 17588 6428 1 11 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.197 0.065 17588 6429 1 11 . 1 1 97 97 ARG C C 97 179.927 179.927 178.631 1.296 17588 6430 1 11 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.365 0.381 17588 6431 1 11 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.991 -0.197 17588 6432 1 11 . 1 1 97 97 ARG H H 97 8.897 8.897 8.570 0.327 17588 6433 1 11 . 1 1 98 98 VAL N N 98 119.642 119.642 119.290 0.352 17588 6434 1 11 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.038 -0.100 17588 6435 1 11 . 1 1 98 98 VAL C C 98 179.630 179.630 178.544 1.086 17588 6436 1 11 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.597 0.207 17588 6437 1 11 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.429 0.625 17588 6438 1 11 . 1 1 98 98 VAL H H 98 7.578 7.578 8.229 -0.651 17588 6439 1 11 . 1 1 99 99 TYR N N 99 122.432 122.432 120.905 1.527 17588 6440 1 11 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.126 -0.192 17588 6441 1 11 . 1 1 99 99 TYR C C 99 176.400 176.400 177.486 -1.086 17588 6442 1 11 . 1 1 99 99 TYR CA C 99 62.906 62.906 62.104 0.802 17588 6443 1 11 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.544 -0.222 17588 6444 1 11 . 1 1 99 99 TYR H H 99 8.635 8.635 8.003 0.632 17588 6445 1 11 . 1 1 100 100 ASN N N 100 117.211 117.211 117.778 -0.567 17588 6446 1 11 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.260 0.026 17588 6447 1 11 . 1 1 100 100 ASN C C 100 178.488 178.488 177.727 0.761 17588 6448 1 11 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.516 -0.660 17588 6449 1 11 . 1 1 100 100 ASN CB C 100 37.849 37.849 38.086 -0.237 17588 6450 1 11 . 1 1 100 100 ASN H H 100 9.024 9.024 8.713 0.311 17588 6451 1 11 . 1 1 101 101 GLY N N 101 105.413 105.413 107.868 -2.455 17588 6452 1 11 . 1 1 101 101 GLY C C 101 175.833 175.833 175.489 0.344 17588 6453 1 11 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.152 -0.120 17588 6454 1 11 . 1 1 101 101 GLY H H 101 7.908 7.908 8.237 -0.329 17588 6455 1 11 . 1 1 102 102 TYR N N 102 126.373 126.373 123.574 2.799 17588 6456 1 11 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.892 -0.425 17588 6457 1 11 . 1 1 102 102 TYR C C 102 176.016 176.016 177.850 -1.834 17588 6458 1 11 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.547 -0.994 17588 6459 1 11 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.216 -0.326 17588 6460 1 11 . 1 1 102 102 TYR H H 102 7.581 7.581 7.549 0.032 17588 6461 1 11 . 1 1 103 103 VAL N N 103 117.870 117.870 118.041 -0.171 17588 6462 1 11 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.188 -0.046 17588 6463 1 11 . 1 1 103 103 VAL C C 103 178.786 178.786 178.047 0.739 17588 6464 1 11 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.837 -0.260 17588 6465 1 11 . 1 1 103 103 VAL CB C 103 31.747 31.747 31.428 0.319 17588 6466 1 11 . 1 1 103 103 VAL H H 103 7.510 7.510 7.522 -0.012 17588 6467 1 11 . 1 1 104 104 ILE N N 104 116.770 116.770 117.950 -1.180 17588 6468 1 11 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.642 0.050 17588 6469 1 11 . 1 1 104 104 ILE C C 104 178.703 178.703 178.591 0.112 17588 6470 1 11 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.436 -0.599 17588 6471 1 11 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.615 0.317 17588 6472 1 11 . 1 1 104 104 ILE H H 104 7.056 7.056 7.264 -0.208 17588 6473 1 11 . 1 1 105 105 HIS N N 105 121.324 121.324 120.131 1.193 17588 6474 1 11 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.094 -0.142 17588 6475 1 11 . 1 1 105 105 HIS C C 105 176.974 176.974 177.939 -0.965 17588 6476 1 11 . 1 1 105 105 HIS CA C 105 60.150 60.150 60.029 0.121 17588 6477 1 11 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.667 0.857 17588 6478 1 11 . 1 1 105 105 HIS H H 105 7.864 7.864 8.187 -0.323 17588 6479 1 11 . 1 1 106 106 LEU N N 106 115.126 115.126 119.029 -3.903 17588 6480 1 11 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.227 -0.392 17588 6481 1 11 . 1 1 106 106 LEU C C 106 177.315 177.315 178.266 -0.951 17588 6482 1 11 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.441 -1.734 17588 6483 1 11 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.521 0.520 17588 6484 1 11 . 1 1 106 106 LEU H H 106 7.517 7.517 8.220 -0.703 17588 6485 1 11 . 1 1 107 107 ASP N N 107 119.221 119.221 119.644 -0.423 17588 6486 1 11 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.363 0.138 17588 6487 1 11 . 1 1 107 107 ASP C C 107 175.224 175.224 176.908 -1.684 17588 6488 1 11 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.712 -1.093 17588 6489 1 11 . 1 1 107 107 ASP CB C 107 40.765 40.765 41.109 -0.344 17588 6490 1 11 . 1 1 107 107 ASP H H 107 7.512 7.512 7.783 -0.271 17588 6491 1 12 . 1 1 6 6 SER HA H 6 4.480 4.480 4.729 -0.249 17588 6492 1 12 . 1 1 6 6 SER C C 6 174.995 174.995 174.260 0.735 17588 6493 1 12 . 1 1 6 6 SER CA C 6 58.675 58.675 57.578 1.097 17588 6494 1 12 . 1 1 6 6 SER CB C 6 63.822 63.822 63.998 -0.176 17588 6495 1 12 . 1 1 7 7 GLY N N 7 110.458 110.458 109.476 0.982 17588 6496 1 12 . 1 1 7 7 GLY C C 7 173.853 173.853 172.929 0.924 17588 6497 1 12 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.341 0.006 17588 6498 1 12 . 1 1 7 7 GLY H H 7 8.394 8.394 8.344 0.050 17588 6499 1 12 . 1 1 8 8 ASN N N 8 119.020 119.020 120.806 -1.786 17588 6500 1 12 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.804 -0.047 17588 6501 1 12 . 1 1 8 8 ASN C C 8 175.389 175.389 173.717 1.672 17588 6502 1 12 . 1 1 8 8 ASN CA C 8 53.231 53.231 53.615 -0.385 17588 6503 1 12 . 1 1 8 8 ASN CB C 8 38.959 38.959 39.755 -0.796 17588 6504 1 12 . 1 1 8 8 ASN H H 8 8.308 8.308 8.270 0.038 17588 6505 1 12 . 1 1 9 9 VAL N N 9 120.281 120.281 120.541 -0.260 17588 6506 1 12 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.318 -0.203 17588 6507 1 12 . 1 1 9 9 VAL C C 9 175.980 175.980 175.199 0.781 17588 6508 1 12 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.892 -0.424 17588 6509 1 12 . 1 1 9 9 VAL CB C 9 32.712 32.712 32.886 -0.174 17588 6510 1 12 . 1 1 9 9 VAL H H 9 8.173 8.173 8.505 -0.332 17588 6511 1 12 . 1 1 10 10 ASP N N 10 123.840 123.840 119.039 4.801 17588 6512 1 12 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.738 -0.114 17588 6513 1 12 . 1 1 10 10 ASP C C 10 176.599 176.599 174.530 2.069 17588 6514 1 12 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.602 0.788 17588 6515 1 12 . 1 1 10 10 ASP CB C 10 41.343 41.343 41.826 -0.483 17588 6516 1 12 . 1 1 10 10 ASP H H 10 8.418 8.418 8.015 0.403 17588 6517 1 12 . 1 1 11 11 SER N N 11 117.003 117.003 115.256 1.747 17588 6518 1 12 . 1 1 11 11 SER HA H 11 4.395 4.395 4.522 -0.127 17588 6519 1 12 . 1 1 11 11 SER C C 11 174.834 174.834 173.721 1.113 17588 6520 1 12 . 1 1 11 11 SER CA C 11 58.886 58.886 58.406 0.480 17588 6521 1 12 . 1 1 11 11 SER CB C 11 63.740 63.740 64.995 -1.255 17588 6522 1 12 . 1 1 11 11 SER H H 11 8.312 8.312 8.451 -0.139 17588 6523 1 12 . 1 1 12 12 ASN N N 12 120.512 120.512 118.465 2.047 17588 6524 1 12 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.404 0.281 17588 6525 1 12 . 1 1 12 12 ASN C C 12 175.646 175.646 174.003 1.643 17588 6526 1 12 . 1 1 12 12 ASN CA C 12 53.793 53.793 54.331 -0.538 17588 6527 1 12 . 1 1 12 12 ASN CB C 12 38.630 38.630 38.381 0.249 17588 6528 1 12 . 1 1 12 12 ASN H H 12 8.511 8.511 8.690 -0.179 17588 6529 1 12 . 1 1 13 13 GLN N N 13 120.057 120.057 118.871 1.186 17588 6530 1 12 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.526 -0.288 17588 6531 1 12 . 1 1 13 13 GLN C C 13 175.988 175.988 174.744 1.244 17588 6532 1 12 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.465 0.982 17588 6533 1 12 . 1 1 13 13 GLN CB C 13 29.137 29.137 29.488 -0.351 17588 6534 1 12 . 1 1 13 13 GLN H H 13 8.258 8.258 8.194 0.064 17588 6535 1 12 . 1 1 14 14 ASN N N 14 119.323 119.323 121.287 -1.964 17588 6536 1 12 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.845 -0.160 17588 6537 1 12 . 1 1 14 14 ASN C C 14 175.552 175.552 173.561 1.991 17588 6538 1 12 . 1 1 14 14 ASN CA C 14 53.565 53.565 53.878 -0.313 17588 6539 1 12 . 1 1 14 14 ASN CB C 14 38.763 38.763 39.912 -1.149 17588 6540 1 12 . 1 1 14 14 ASN H H 14 8.377 8.377 8.427 -0.050 17588 6541 1 12 . 1 1 15 15 LYS N N 15 121.938 121.938 120.766 1.172 17588 6542 1 12 . 1 1 15 15 LYS HA H 15 4.214 4.214 5.225 -1.011 17588 6543 1 12 . 1 1 15 15 LYS C C 15 176.933 176.933 174.452 2.481 17588 6544 1 12 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.105 2.130 17588 6545 1 12 . 1 1 15 15 LYS CB C 15 32.753 32.753 35.348 -2.595 17588 6546 1 12 . 1 1 15 15 LYS H H 15 8.224 8.224 8.476 -0.252 17588 6547 1 12 . 1 1 16 16 ALA N N 16 123.956 123.956 123.486 0.470 17588 6548 1 12 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.494 -0.220 17588 6549 1 12 . 1 1 16 16 ALA C C 16 178.593 178.593 176.259 2.334 17588 6550 1 12 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.548 1.894 17588 6551 1 12 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.247 -1.384 17588 6552 1 12 . 1 1 16 16 ALA H H 16 8.292 8.292 8.464 -0.172 17588 6553 1 12 . 1 1 17 17 SER N N 17 114.462 114.462 120.501 -6.039 17588 6554 1 12 . 1 1 17 17 SER HA H 17 4.365 4.365 4.697 -0.332 17588 6555 1 12 . 1 1 17 17 SER C C 17 175.370 175.370 174.111 1.259 17588 6556 1 12 . 1 1 17 17 SER CA C 17 59.077 59.077 57.817 1.260 17588 6557 1 12 . 1 1 17 17 SER CB C 17 63.383 63.383 63.122 0.261 17588 6558 1 12 . 1 1 17 17 SER H H 17 8.200 8.200 8.743 -0.543 17588 6559 1 12 . 1 1 18 18 MET N N 18 121.999 121.999 122.557 -0.558 17588 6560 1 12 . 1 1 18 18 MET HA H 18 4.429 4.429 4.214 0.215 17588 6561 1 12 . 1 1 18 18 MET C C 18 176.829 176.829 175.808 1.021 17588 6562 1 12 . 1 1 18 18 MET CA C 18 56.357 56.357 56.622 -0.265 17588 6563 1 12 . 1 1 18 18 MET CB C 18 32.630 32.630 32.994 -0.364 17588 6564 1 12 . 1 1 18 18 MET H H 18 8.214 8.214 8.519 -0.305 17588 6565 1 12 . 1 1 19 19 LEU N N 19 122.083 122.083 122.390 -0.307 17588 6566 1 12 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.723 -0.467 17588 6567 1 12 . 1 1 19 19 LEU C C 19 177.774 177.774 175.312 2.462 17588 6568 1 12 . 1 1 19 19 LEU CA C 19 56.111 56.111 54.864 1.247 17588 6569 1 12 . 1 1 19 19 LEU CB C 19 42.041 42.041 44.830 -2.789 17588 6570 1 12 . 1 1 19 19 LEU H H 19 8.076 8.076 8.623 -0.547 17588 6571 1 12 . 1 1 20 20 GLN N N 20 120.123 120.123 122.458 -2.335 17588 6572 1 12 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.812 -0.605 17588 6573 1 12 . 1 1 20 20 GLN C C 20 176.166 176.166 173.952 2.214 17588 6574 1 12 . 1 1 20 20 GLN CA C 20 56.409 56.409 54.883 1.526 17588 6575 1 12 . 1 1 20 20 GLN CB C 20 29.196 29.196 31.724 -2.528 17588 6576 1 12 . 1 1 20 20 GLN H H 20 8.174 8.174 8.512 -0.338 17588 6577 1 12 . 1 1 21 21 ALA N N 21 124.216 124.216 123.880 0.336 17588 6578 1 12 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.715 -0.461 17588 6579 1 12 . 1 1 21 21 ALA C C 21 178.034 178.034 176.581 1.453 17588 6580 1 12 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.959 1.167 17588 6581 1 12 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.346 -1.275 17588 6582 1 12 . 1 1 21 21 ALA H H 21 8.151 8.151 8.441 -0.290 17588 6583 1 12 . 1 1 22 22 ARG N N 22 119.591 119.591 123.317 -3.726 17588 6584 1 12 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.554 -0.246 17588 6585 1 12 . 1 1 22 22 ARG C C 22 176.750 176.750 175.401 1.349 17588 6586 1 12 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.836 0.591 17588 6587 1 12 . 1 1 22 22 ARG CB C 22 30.616 30.616 30.113 0.503 17588 6588 1 12 . 1 1 22 22 ARG H H 22 8.147 8.147 8.528 -0.381 17588 6589 1 12 . 1 1 23 23 LEU N N 23 122.553 122.553 124.490 -1.937 17588 6590 1 12 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.776 -0.502 17588 6591 1 12 . 1 1 23 23 LEU C C 23 177.547 177.547 175.877 1.670 17588 6592 1 12 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.705 0.985 17588 6593 1 12 . 1 1 23 23 LEU CB C 23 42.082 42.082 41.238 0.844 17588 6594 1 12 . 1 1 23 23 LEU H H 23 8.220 8.220 8.578 -0.358 17588 6595 1 12 . 1 1 24 24 ASN N N 24 118.666 118.666 120.064 -1.398 17588 6596 1 12 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.722 -0.049 17588 6597 1 12 . 1 1 24 24 ASN C C 24 175.246 175.246 174.093 1.153 17588 6598 1 12 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.811 0.754 17588 6599 1 12 . 1 1 24 24 ASN CB C 24 38.836 38.836 39.798 -0.962 17588 6600 1 12 . 1 1 24 24 ASN H H 24 8.351 8.351 8.272 0.079 17588 6601 1 12 . 1 1 25 25 ASP N N 25 120.897 120.897 120.065 0.832 17588 6602 1 12 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.675 -0.099 17588 6603 1 12 . 1 1 25 25 ASP C C 25 176.732 176.732 175.931 0.801 17588 6604 1 12 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.974 0.732 17588 6605 1 12 . 1 1 25 25 ASP CB C 25 41.219 41.219 41.079 0.140 17588 6606 1 12 . 1 1 25 25 ASP H H 25 8.234 8.234 8.658 -0.424 17588 6607 1 12 . 1 1 26 26 GLU N N 26 121.168 121.168 121.081 0.087 17588 6608 1 12 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.532 -0.318 17588 6609 1 12 . 1 1 26 26 GLU C C 26 176.857 176.857 174.966 1.891 17588 6610 1 12 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.786 1.461 17588 6611 1 12 . 1 1 26 26 GLU CB C 26 29.959 29.959 29.858 0.101 17588 6612 1 12 . 1 1 26 26 GLU H H 26 8.368 8.368 8.146 0.222 17588 6613 1 12 . 1 1 27 27 ALA N N 27 124.100 124.100 125.493 -1.393 17588 6614 1 12 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.590 -0.273 17588 6615 1 12 . 1 1 27 27 ALA C C 27 178.520 178.520 177.878 0.642 17588 6616 1 12 . 1 1 27 27 ALA CA C 27 52.986 52.986 51.518 1.468 17588 6617 1 12 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.612 -0.667 17588 6618 1 12 . 1 1 27 27 ALA H H 27 8.289 8.289 8.215 0.074 17588 6619 1 12 . 1 1 28 28 GLY N N 28 107.844 107.844 110.609 -2.765 17588 6620 1 12 . 1 1 28 28 GLY C C 28 175.019 175.019 174.795 0.224 17588 6621 1 12 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.061 0.567 17588 6622 1 12 . 1 1 28 28 GLY H H 28 8.315 8.315 8.766 -0.451 17588 6623 1 12 . 1 1 29 29 GLY N N 29 108.754 108.754 113.150 -4.396 17588 6624 1 12 . 1 1 29 29 GLY C C 29 174.659 174.659 174.291 0.368 17588 6625 1 12 . 1 1 29 29 GLY CA C 29 45.487 45.487 44.709 0.778 17588 6626 1 12 . 1 1 29 29 GLY H H 29 8.266 8.266 7.973 0.293 17588 6627 1 12 . 1 1 30 30 THR N N 30 114.068 114.068 116.653 -2.585 17588 6628 1 12 . 1 1 30 30 THR HA H 30 4.301 4.301 4.633 -0.332 17588 6629 1 12 . 1 1 30 30 THR C C 30 174.789 174.789 175.177 -0.388 17588 6630 1 12 . 1 1 30 30 THR CA C 30 62.327 62.327 61.380 0.947 17588 6631 1 12 . 1 1 30 30 THR CB C 30 69.553 69.553 70.710 -1.157 17588 6632 1 12 . 1 1 30 30 THR H H 30 8.111 8.111 8.000 0.111 17588 6633 1 12 . 1 1 31 31 ARG N N 31 123.536 123.536 123.072 0.464 17588 6634 1 12 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.295 0.004 17588 6635 1 12 . 1 1 31 31 ARG C C 31 176.125 176.125 176.504 -0.379 17588 6636 1 12 . 1 1 31 31 ARG CA C 31 56.462 56.462 56.200 0.262 17588 6637 1 12 . 1 1 31 31 ARG CB C 31 30.657 30.657 30.551 0.106 17588 6638 1 12 . 1 1 31 31 ARG H H 31 8.343 8.343 8.499 -0.156 17588 6639 1 12 . 1 1 32 32 LEU N N 32 122.865 122.865 122.458 0.407 17588 6640 1 12 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.471 -0.152 17588 6641 1 12 . 1 1 32 32 LEU C C 32 177.036 177.036 176.363 0.673 17588 6642 1 12 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.605 0.628 17588 6643 1 12 . 1 1 32 32 LEU CB C 32 42.264 42.264 41.059 1.205 17588 6644 1 12 . 1 1 32 32 LEU H H 32 8.203 8.203 8.480 -0.277 17588 6645 1 12 . 1 1 33 33 LEU N N 33 123.054 123.054 125.285 -2.231 17588 6646 1 12 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.513 -0.177 17588 6647 1 12 . 1 1 33 33 LEU C C 33 177.022 177.022 177.334 -0.312 17588 6648 1 12 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.958 0.111 17588 6649 1 12 . 1 1 33 33 LEU CB C 33 42.288 42.288 43.229 -0.941 17588 6650 1 12 . 1 1 33 33 LEU H H 33 8.150 8.150 8.066 0.084 17588 6651 1 12 . 1 1 34 34 ARG N N 34 122.226 122.226 120.584 1.642 17588 6652 1 12 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.516 -0.179 17588 6653 1 12 . 1 1 34 34 ARG C C 34 175.950 175.950 174.707 1.243 17588 6654 1 12 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.577 0.341 17588 6655 1 12 . 1 1 34 34 ARG CB C 34 30.781 30.781 30.502 0.279 17588 6656 1 12 . 1 1 34 34 ARG H H 34 8.248 8.248 8.453 -0.205 17588 6657 1 12 . 1 1 35 35 VAL N N 35 121.294 121.294 119.962 1.332 17588 6658 1 12 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.162 -0.121 17588 6659 1 12 . 1 1 35 35 VAL C C 35 175.709 175.709 175.022 0.687 17588 6660 1 12 . 1 1 35 35 VAL CA C 35 62.240 62.240 61.967 0.273 17588 6661 1 12 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.903 -0.150 17588 6662 1 12 . 1 1 35 35 VAL H H 35 8.107 8.107 7.596 0.511 17588 6663 1 12 . 1 1 36 36 HIS N N 36 123.522 123.522 128.490 -4.968 17588 6664 1 12 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.907 -0.309 17588 6665 1 12 . 1 1 36 36 HIS C C 36 174.825 174.825 174.822 0.003 17588 6666 1 12 . 1 1 36 36 HIS CA C 36 56.111 56.111 55.985 0.126 17588 6667 1 12 . 1 1 36 36 HIS CB C 36 30.944 30.944 29.636 1.308 17588 6668 1 12 . 1 1 36 36 HIS H H 36 8.410 8.410 8.888 -0.478 17588 6669 1 12 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.733 -0.133 17588 6670 1 12 . 1 1 37 37 HIS C C 37 175.173 175.173 175.601 -0.428 17588 6671 1 12 . 1 1 37 37 HIS CA C 37 56.217 56.217 55.809 0.408 17588 6672 1 12 . 1 1 37 37 HIS CB C 37 31.027 31.027 30.922 0.105 17588 6673 1 12 . 1 1 38 38 GLU N N 38 122.826 122.826 119.743 3.083 17588 6674 1 12 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.579 -0.324 17588 6675 1 12 . 1 1 38 38 GLU C C 38 176.483 176.483 175.325 1.158 17588 6676 1 12 . 1 1 38 38 GLU CA C 38 56.919 56.919 55.119 1.800 17588 6677 1 12 . 1 1 38 38 GLU CB C 38 30.328 30.328 31.779 -1.451 17588 6678 1 12 . 1 1 38 38 GLU H H 38 8.569 8.569 7.540 1.029 17588 6679 1 12 . 1 1 39 39 SER N N 39 116.398 116.398 117.671 -1.273 17588 6680 1 12 . 1 1 39 39 SER HA H 39 4.454 4.454 4.384 0.070 17588 6681 1 12 . 1 1 39 39 SER C C 39 174.497 174.497 173.999 0.498 17588 6682 1 12 . 1 1 39 39 SER CA C 39 58.552 58.552 58.290 0.262 17588 6683 1 12 . 1 1 39 39 SER CB C 39 64.028 64.028 63.403 0.625 17588 6684 1 12 . 1 1 39 39 SER H H 39 8.444 8.444 8.403 0.041 17588 6685 1 12 . 1 1 40 40 ASP N N 40 122.831 122.831 126.837 -4.006 17588 6686 1 12 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.808 -0.136 17588 6687 1 12 . 1 1 40 40 ASP C C 40 176.783 176.783 175.620 1.163 17588 6688 1 12 . 1 1 40 40 ASP CA C 40 54.759 54.759 53.583 1.176 17588 6689 1 12 . 1 1 40 40 ASP CB C 40 41.014 41.014 42.058 -1.044 17588 6690 1 12 . 1 1 40 40 ASP H H 40 8.469 8.469 8.427 0.042 17588 6691 1 12 . 1 1 41 41 THR N N 41 113.679 113.679 112.847 0.832 17588 6692 1 12 . 1 1 41 41 THR HA H 41 4.181 4.181 4.461 -0.280 17588 6693 1 12 . 1 1 41 41 THR C C 41 175.314 175.314 173.940 1.374 17588 6694 1 12 . 1 1 41 41 THR CA C 41 62.819 62.819 61.266 1.553 17588 6695 1 12 . 1 1 41 41 THR CB C 41 69.576 69.576 69.062 0.514 17588 6696 1 12 . 1 1 41 41 THR H H 41 8.066 8.066 8.220 -0.154 17588 6697 1 12 . 1 1 42 42 GLU N N 42 122.776 122.776 126.793 -4.017 17588 6698 1 12 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.584 -0.376 17588 6699 1 12 . 1 1 42 42 GLU C C 42 177.129 177.129 176.526 0.603 17588 6700 1 12 . 1 1 42 42 GLU CA C 42 57.322 57.322 55.716 1.606 17588 6701 1 12 . 1 1 42 42 GLU CB C 42 30.000 30.000 29.966 0.034 17588 6702 1 12 . 1 1 42 42 GLU H H 42 8.343 8.343 8.847 -0.504 17588 6703 1 12 . 1 1 43 43 GLU N N 43 121.898 121.898 125.038 -3.140 17588 6704 1 12 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.412 -0.201 17588 6705 1 12 . 1 1 43 43 GLU C C 43 177.313 177.313 178.358 -1.045 17588 6706 1 12 . 1 1 43 43 GLU CA C 43 57.453 57.453 58.510 -1.056 17588 6707 1 12 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.837 0.122 17588 6708 1 12 . 1 1 43 43 GLU H H 43 8.397 8.397 8.696 -0.299 17588 6709 1 12 . 1 1 44 44 ARG N N 44 121.336 121.336 120.146 1.190 17588 6710 1 12 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.097 0.129 17588 6711 1 12 . 1 1 44 44 ARG C C 44 178.048 178.048 178.535 -0.487 17588 6712 1 12 . 1 1 44 44 ARG CA C 44 57.779 57.779 58.946 -1.167 17588 6713 1 12 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.377 0.989 17588 6714 1 12 . 1 1 44 44 ARG H H 44 8.401 8.401 8.749 -0.348 17588 6715 1 12 . 1 1 45 45 GLY N N 45 109.098 109.098 105.135 3.963 17588 6716 1 12 . 1 1 45 45 GLY C C 45 175.522 175.522 175.438 0.084 17588 6717 1 12 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.630 0.770 17588 6718 1 12 . 1 1 45 45 GLY H H 45 8.536 8.536 8.325 0.211 17588 6719 1 12 . 1 1 46 46 PHE N N 46 121.592 121.592 123.664 -2.072 17588 6720 1 12 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.112 0.305 17588 6721 1 12 . 1 1 46 46 PHE C C 46 177.561 177.561 176.933 0.628 17588 6722 1 12 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.050 -0.970 17588 6723 1 12 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.145 -0.234 17588 6724 1 12 . 1 1 46 46 PHE H H 46 8.071 8.071 7.639 0.432 17588 6725 1 12 . 1 1 47 47 LEU N N 47 121.344 121.344 118.125 3.219 17588 6726 1 12 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.494 0.548 17588 6727 1 12 . 1 1 47 47 LEU C C 47 179.621 179.621 178.531 1.090 17588 6728 1 12 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.800 -0.340 17588 6729 1 12 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.533 0.104 17588 6730 1 12 . 1 1 47 47 LEU H H 47 8.215 8.215 8.362 -0.147 17588 6731 1 12 . 1 1 48 48 GLU N N 48 121.986 121.986 119.502 2.484 17588 6732 1 12 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.681 0.307 17588 6733 1 12 . 1 1 48 48 GLU C C 48 177.573 177.573 178.335 -0.762 17588 6734 1 12 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.488 -0.181 17588 6735 1 12 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.259 0.389 17588 6736 1 12 . 1 1 48 48 GLU H H 48 8.225 8.225 7.899 0.326 17588 6737 1 12 . 1 1 49 49 LYS N N 49 118.759 118.759 118.172 0.587 17588 6738 1 12 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.234 0.009 17588 6739 1 12 . 1 1 49 49 LYS C C 49 177.659 177.659 178.377 -0.718 17588 6740 1 12 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.695 0.191 17588 6741 1 12 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.219 0.083 17588 6742 1 12 . 1 1 49 49 LYS H H 49 7.790 7.790 7.677 0.113 17588 6743 1 12 . 1 1 50 50 ALA N N 50 120.023 120.023 120.721 -0.698 17588 6744 1 12 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.815 0.144 17588 6745 1 12 . 1 1 50 50 ALA C C 50 180.486 180.486 179.140 1.346 17588 6746 1 12 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.708 0.174 17588 6747 1 12 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.843 0.034 17588 6748 1 12 . 1 1 50 50 ALA H H 50 7.798 7.798 7.075 0.723 17588 6749 1 12 . 1 1 51 51 ALA N N 51 121.955 121.955 121.437 0.518 17588 6750 1 12 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.891 0.222 17588 6751 1 12 . 1 1 51 51 ALA C C 51 180.762 180.762 179.572 1.190 17588 6752 1 12 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.065 0.046 17588 6753 1 12 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.003 0.038 17588 6754 1 12 . 1 1 51 51 ALA H H 51 7.809 7.809 7.867 -0.058 17588 6755 1 12 . 1 1 52 52 VAL N N 52 120.415 120.415 117.844 2.571 17588 6756 1 12 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.607 0.043 17588 6757 1 12 . 1 1 52 52 VAL C C 52 178.567 178.567 178.162 0.405 17588 6758 1 12 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.700 0.527 17588 6759 1 12 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.967 0.143 17588 6760 1 12 . 1 1 52 52 VAL H H 52 7.944 7.944 7.691 0.253 17588 6761 1 12 . 1 1 53 53 LYS N N 53 119.231 119.231 119.193 0.038 17588 6762 1 12 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.806 -0.242 17588 6763 1 12 . 1 1 53 53 LYS C C 53 178.546 178.546 178.890 -0.344 17588 6764 1 12 . 1 1 53 53 LYS CA C 53 60.720 60.720 58.913 1.807 17588 6765 1 12 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.740 0.511 17588 6766 1 12 . 1 1 53 53 LYS H H 53 8.132 8.132 7.583 0.549 17588 6767 1 12 . 1 1 54 54 LYS N N 54 119.514 119.514 120.548 -1.034 17588 6768 1 12 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.991 0.002 17588 6769 1 12 . 1 1 54 54 LYS C C 54 179.987 179.987 178.679 1.308 17588 6770 1 12 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.017 1.220 17588 6771 1 12 . 1 1 54 54 LYS CB C 54 32.483 32.483 31.910 0.573 17588 6772 1 12 . 1 1 54 54 LYS H H 54 7.956 7.956 7.674 0.282 17588 6773 1 12 . 1 1 55 55 MET N N 55 119.732 119.732 118.241 1.491 17588 6774 1 12 . 1 1 55 55 MET HA H 55 4.251 4.251 3.833 0.418 17588 6775 1 12 . 1 1 55 55 MET C C 55 177.536 177.536 178.294 -0.758 17588 6776 1 12 . 1 1 55 55 MET CA C 55 58.396 58.396 59.044 -0.647 17588 6777 1 12 . 1 1 55 55 MET CB C 55 34.228 34.228 31.884 2.344 17588 6778 1 12 . 1 1 55 55 MET H H 55 7.816 7.816 7.796 0.020 17588 6779 1 12 . 1 1 56 56 ALA N N 56 122.295 122.295 121.560 0.735 17588 6780 1 12 . 1 1 56 56 ALA HA H 56 4.152 4.152 3.933 0.219 17588 6781 1 12 . 1 1 56 56 ALA C C 56 179.615 179.615 179.480 0.135 17588 6782 1 12 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.451 -0.113 17588 6783 1 12 . 1 1 56 56 ALA CB C 56 19.106 19.106 17.908 1.198 17588 6784 1 12 . 1 1 56 56 ALA H H 56 8.724 8.724 7.887 0.837 17588 6785 1 12 . 1 1 57 57 LYS N N 57 117.704 117.704 118.900 -1.196 17588 6786 1 12 . 1 1 57 57 LYS HA H 57 4.084 4.084 3.984 0.100 17588 6787 1 12 . 1 1 57 57 LYS C C 57 179.358 179.358 178.946 0.412 17588 6788 1 12 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.609 0.365 17588 6789 1 12 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.449 0.052 17588 6790 1 12 . 1 1 57 57 LYS H H 57 8.444 8.444 7.788 0.656 17588 6791 1 12 . 1 1 58 58 ALA N N 58 122.736 122.736 121.423 1.313 17588 6792 1 12 . 1 1 58 58 ALA HA H 58 4.171 4.171 3.945 0.226 17588 6793 1 12 . 1 1 58 58 ALA C C 58 180.708 180.708 179.578 1.130 17588 6794 1 12 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.033 0.078 17588 6795 1 12 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.287 -0.739 17588 6796 1 12 . 1 1 58 58 ALA H H 58 7.701 7.701 7.690 0.011 17588 6797 1 12 . 1 1 59 59 ILE N N 59 117.672 117.672 119.104 -1.432 17588 6798 1 12 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.965 -0.292 17588 6799 1 12 . 1 1 59 59 ILE C C 59 177.728 177.728 178.335 -0.607 17588 6800 1 12 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.799 -0.821 17588 6801 1 12 . 1 1 59 59 ILE CB C 59 37.813 37.813 38.070 -0.257 17588 6802 1 12 . 1 1 59 59 ILE H H 59 7.547 7.547 7.677 -0.130 17588 6803 1 12 . 1 1 60 60 MET N N 60 117.653 117.653 116.472 1.181 17588 6804 1 12 . 1 1 60 60 MET HA H 60 4.098 4.098 4.179 -0.081 17588 6805 1 12 . 1 1 60 60 MET C C 60 178.085 178.085 177.103 0.982 17588 6806 1 12 . 1 1 60 60 MET CA C 60 58.060 58.060 57.848 0.212 17588 6807 1 12 . 1 1 60 60 MET CB C 60 32.178 32.178 32.041 0.137 17588 6808 1 12 . 1 1 60 60 MET H H 60 7.718 7.718 8.204 -0.486 17588 6809 1 12 . 1 1 61 61 ALA N N 61 118.874 118.874 121.001 -2.127 17588 6810 1 12 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.272 0.002 17588 6811 1 12 . 1 1 61 61 ALA C C 61 177.758 177.758 177.870 -0.112 17588 6812 1 12 . 1 1 61 61 ALA CA C 61 53.442 53.442 53.114 0.328 17588 6813 1 12 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.951 -0.883 17588 6814 1 12 . 1 1 61 61 ALA H H 61 7.513 7.513 7.467 0.046 17588 6815 1 12 . 1 1 62 62 ASP N N 62 115.735 115.735 117.212 -1.477 17588 6816 1 12 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.020 -0.087 17588 6817 1 12 . 1 1 62 62 ASP C C 62 172.960 172.960 174.296 -1.336 17588 6818 1 12 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.536 -0.412 17588 6819 1 12 . 1 1 62 62 ASP CB C 62 41.384 41.384 43.123 -1.740 17588 6820 1 12 . 1 1 62 62 ASP H H 62 7.615 7.615 7.874 -0.259 17588 6821 1 12 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.372 0.074 17588 6822 1 12 . 1 1 63 63 PRO C C 63 179.157 179.157 177.896 1.261 17588 6823 1 12 . 1 1 63 63 PRO CA C 63 64.399 64.399 65.092 -0.693 17588 6824 1 12 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.237 0.023 17588 6825 1 12 . 1 1 64 64 ASN N N 64 115.566 115.566 116.768 -1.202 17588 6826 1 12 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.428 0.124 17588 6827 1 12 . 1 1 64 64 ASN C C 64 176.867 176.867 176.926 -0.059 17588 6828 1 12 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.856 -0.535 17588 6829 1 12 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.377 0.525 17588 6830 1 12 . 1 1 64 64 ASN H H 64 8.094 8.094 8.865 -0.771 17588 6831 1 12 . 1 1 65 65 LYS N N 65 118.691 118.691 119.745 -1.054 17588 6832 1 12 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.010 0.168 17588 6833 1 12 . 1 1 65 65 LYS C C 65 175.844 175.844 177.750 -1.906 17588 6834 1 12 . 1 1 65 65 LYS CA C 65 56.234 56.234 57.948 -1.714 17588 6835 1 12 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.892 0.984 17588 6836 1 12 . 1 1 65 65 LYS H H 65 8.185 8.185 7.291 0.894 17588 6837 1 12 . 1 1 66 66 ALA N N 66 120.147 120.147 122.219 -2.072 17588 6838 1 12 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.406 -0.364 17588 6839 1 12 . 1 1 66 66 ALA C C 66 176.697 176.697 178.774 -2.077 17588 6840 1 12 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.057 0.755 17588 6841 1 12 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.685 0.549 17588 6842 1 12 . 1 1 66 66 ALA H H 66 7.233 7.233 7.818 -0.585 17588 6843 1 12 . 1 1 67 67 ASP N N 67 114.524 114.524 118.566 -4.042 17588 6844 1 12 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.307 -0.134 17588 6845 1 12 . 1 1 67 67 ASP C C 67 178.071 178.071 177.800 0.271 17588 6846 1 12 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.480 0.888 17588 6847 1 12 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.539 0.105 17588 6848 1 12 . 1 1 67 67 ASP H H 67 8.114 8.114 7.864 0.250 17588 6849 1 12 . 1 1 68 68 GLU N N 68 117.486 117.486 119.517 -2.031 17588 6850 1 12 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.939 -0.046 17588 6851 1 12 . 1 1 68 68 GLU C C 68 178.885 178.885 178.786 0.099 17588 6852 1 12 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.968 -0.223 17588 6853 1 12 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.306 0.355 17588 6854 1 12 . 1 1 68 68 GLU H H 68 7.846 7.846 7.432 0.414 17588 6855 1 12 . 1 1 69 69 VAL N N 69 120.957 120.957 119.963 0.994 17588 6856 1 12 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.131 -0.085 17588 6857 1 12 . 1 1 69 69 VAL C C 69 176.618 176.618 178.015 -1.397 17588 6858 1 12 . 1 1 69 69 VAL CA C 69 66.453 66.453 66.132 0.321 17588 6859 1 12 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.302 0.737 17588 6860 1 12 . 1 1 69 69 VAL H H 69 7.325 7.325 7.911 -0.586 17588 6861 1 12 . 1 1 70 70 TYR N N 70 117.638 117.638 117.725 -0.087 17588 6862 1 12 . 1 1 70 70 TYR HA H 70 4.175 4.175 3.994 0.181 17588 6863 1 12 . 1 1 70 70 TYR C C 70 178.493 178.493 178.234 0.259 17588 6864 1 12 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.791 -3.310 17588 6865 1 12 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.723 -2.860 17588 6866 1 12 . 1 1 70 70 TYR H H 70 8.483 8.483 8.006 0.477 17588 6867 1 12 . 1 1 71 71 LYS N N 71 117.283 117.283 117.780 -0.497 17588 6868 1 12 . 1 1 71 71 LYS HA H 71 4.214 4.214 3.936 0.278 17588 6869 1 12 . 1 1 71 71 LYS C C 71 178.790 178.790 179.159 -0.369 17588 6870 1 12 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.268 0.525 17588 6871 1 12 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.030 0.477 17588 6872 1 12 . 1 1 71 71 LYS H H 71 7.754 7.754 7.611 0.143 17588 6873 1 12 . 1 1 72 72 LYS N N 72 120.053 120.053 120.469 -0.416 17588 6874 1 12 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.965 0.176 17588 6875 1 12 . 1 1 72 72 LYS C C 72 180.399 180.399 178.733 1.666 17588 6876 1 12 . 1 1 72 72 LYS CA C 72 59.728 59.728 60.065 -0.337 17588 6877 1 12 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.307 -0.293 17588 6878 1 12 . 1 1 72 72 LYS H H 72 7.386 7.386 7.835 -0.449 17588 6879 1 12 . 1 1 73 73 TRP N N 73 121.910 121.910 120.098 1.812 17588 6880 1 12 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.461 0.052 17588 6881 1 12 . 1 1 73 73 TRP C C 73 177.981 177.981 179.160 -1.179 17588 6882 1 12 . 1 1 73 73 TRP CA C 73 57.915 57.915 60.596 -2.681 17588 6883 1 12 . 1 1 73 73 TRP CB C 73 29.562 29.562 27.869 1.693 17588 6884 1 12 . 1 1 73 73 TRP H H 73 8.659 8.659 8.058 0.601 17588 6885 1 12 . 1 1 74 74 ALA N N 74 123.471 123.471 120.653 2.818 17588 6886 1 12 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.188 0.304 17588 6887 1 12 . 1 1 74 74 ALA C C 74 182.881 182.881 179.926 2.955 17588 6888 1 12 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.292 0.057 17588 6889 1 12 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.286 0.106 17588 6890 1 12 . 1 1 74 74 ALA H H 74 9.137 9.137 8.029 1.108 17588 6891 1 12 . 1 1 75 75 ASP N N 75 121.896 121.896 116.640 5.256 17588 6892 1 12 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.447 0.017 17588 6893 1 12 . 1 1 75 75 ASP C C 75 178.714 178.714 178.487 0.227 17588 6894 1 12 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.612 0.482 17588 6895 1 12 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.770 -0.185 17588 6896 1 12 . 1 1 75 75 ASP H H 75 8.804 8.804 7.815 0.989 17588 6897 1 12 . 1 1 76 76 LYS N N 76 118.966 118.966 117.715 1.251 17588 6898 1 12 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.140 -0.111 17588 6899 1 12 . 1 1 76 76 LYS C C 76 176.868 176.868 177.523 -0.655 17588 6900 1 12 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.531 -0.034 17588 6901 1 12 . 1 1 76 76 LYS CB C 76 31.685 31.685 33.080 -1.395 17588 6902 1 12 . 1 1 76 76 LYS H H 76 7.630 7.630 8.015 -0.385 17588 6903 1 12 . 1 1 77 77 GLY N N 77 107.310 107.310 106.102 1.208 17588 6904 1 12 . 1 1 77 77 GLY C C 77 175.407 175.407 173.796 1.611 17588 6905 1 12 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.768 0.421 17588 6906 1 12 . 1 1 77 77 GLY H H 77 7.901 7.901 7.897 0.004 17588 6907 1 12 . 1 1 78 78 TYR N N 78 117.917 117.917 120.236 -2.319 17588 6908 1 12 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.904 0.388 17588 6909 1 12 . 1 1 78 78 TYR C C 78 178.422 178.422 175.262 3.160 17588 6910 1 12 . 1 1 78 78 TYR CA C 78 55.545 55.545 57.498 -1.953 17588 6911 1 12 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.952 -4.171 17588 6912 1 12 . 1 1 78 78 TYR H H 78 7.506 7.506 7.481 0.025 17588 6913 1 12 . 1 1 79 79 THR N N 79 119.420 119.420 111.041 8.379 17588 6914 1 12 . 1 1 79 79 THR HA H 79 4.518 4.518 4.751 -0.233 17588 6915 1 12 . 1 1 79 79 THR C C 79 175.648 175.648 175.357 0.291 17588 6916 1 12 . 1 1 79 79 THR CA C 79 60.027 60.027 60.348 -0.321 17588 6917 1 12 . 1 1 79 79 THR CB C 79 71.622 71.622 72.265 -0.643 17588 6918 1 12 . 1 1 79 79 THR H H 79 8.957 8.957 8.205 0.752 17588 6919 1 12 . 1 1 80 80 LEU N N 80 119.655 119.655 122.349 -2.694 17588 6920 1 12 . 1 1 80 80 LEU HA H 80 4.180 4.180 3.960 0.220 17588 6921 1 12 . 1 1 80 80 LEU C C 80 180.085 180.085 178.747 1.338 17588 6922 1 12 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.131 0.782 17588 6923 1 12 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.009 -1.356 17588 6924 1 12 . 1 1 80 80 LEU H H 80 9.005 9.005 8.870 0.135 17588 6925 1 12 . 1 1 81 81 THR N N 81 115.259 115.259 113.167 2.092 17588 6926 1 12 . 1 1 81 81 THR HA H 81 3.939 3.939 3.957 -0.018 17588 6927 1 12 . 1 1 81 81 THR C C 81 177.000 177.000 176.816 0.184 17588 6928 1 12 . 1 1 81 81 THR CA C 81 66.349 66.349 66.155 0.194 17588 6929 1 12 . 1 1 81 81 THR CB C 81 68.591 68.591 68.257 0.334 17588 6930 1 12 . 1 1 81 81 THR H H 81 8.135 8.135 8.140 -0.005 17588 6931 1 12 . 1 1 82 82 GLN N N 82 121.304 121.304 119.987 1.317 17588 6932 1 12 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.875 -0.222 17588 6933 1 12 . 1 1 82 82 GLN C C 82 178.354 178.354 177.832 0.522 17588 6934 1 12 . 1 1 82 82 GLN CA C 82 58.640 58.640 57.391 1.249 17588 6935 1 12 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.164 0.750 17588 6936 1 12 . 1 1 82 82 GLN H H 82 7.641 7.641 8.011 -0.370 17588 6937 1 12 . 1 1 83 83 MET N N 83 117.464 117.464 119.843 -2.379 17588 6938 1 12 . 1 1 83 83 MET HA H 83 4.425 4.425 3.972 0.453 17588 6939 1 12 . 1 1 83 83 MET C C 83 177.906 177.906 178.262 -0.356 17588 6940 1 12 . 1 1 83 83 MET CA C 83 55.462 55.462 58.259 -2.797 17588 6941 1 12 . 1 1 83 83 MET CB C 83 29.014 29.014 32.088 -3.074 17588 6942 1 12 . 1 1 83 83 MET H H 83 8.665 8.665 8.387 0.278 17588 6943 1 12 . 1 1 84 84 SER N N 84 114.879 114.879 113.799 1.080 17588 6944 1 12 . 1 1 84 84 SER HA H 84 3.689 3.689 4.023 -0.334 17588 6945 1 12 . 1 1 84 84 SER C C 84 176.666 176.666 175.297 1.369 17588 6946 1 12 . 1 1 84 84 SER CA C 84 61.347 61.347 61.526 -0.179 17588 6947 1 12 . 1 1 84 84 SER CB C 84 62.356 62.356 62.887 -0.531 17588 6948 1 12 . 1 1 84 84 SER H H 84 8.607 8.607 8.012 0.595 17588 6949 1 12 . 1 1 85 85 ASN N N 85 117.904 117.904 115.120 2.784 17588 6950 1 12 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.454 -0.039 17588 6951 1 12 . 1 1 85 85 ASN C C 85 177.997 177.997 175.590 2.407 17588 6952 1 12 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.028 0.925 17588 6953 1 12 . 1 1 85 85 ASN CB C 85 38.260 38.260 38.096 0.164 17588 6954 1 12 . 1 1 85 85 ASN H H 85 7.204 7.204 7.403 -0.199 17588 6955 1 12 . 1 1 86 86 PHE N N 86 118.316 118.316 116.144 2.172 17588 6956 1 12 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.439 -0.011 17588 6957 1 12 . 1 1 86 86 PHE C C 86 177.478 177.478 176.632 0.846 17588 6958 1 12 . 1 1 86 86 PHE CA C 86 58.394 58.394 58.874 -0.480 17588 6959 1 12 . 1 1 86 86 PHE CB C 86 38.835 38.835 39.803 -0.968 17588 6960 1 12 . 1 1 86 86 PHE H H 86 8.367 8.367 7.547 0.820 17588 6961 1 12 . 1 1 87 87 LEU N N 87 112.533 112.533 117.845 -5.312 17588 6962 1 12 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.095 0.005 17588 6963 1 12 . 1 1 87 87 LEU C C 87 176.474 176.474 176.340 0.134 17588 6964 1 12 . 1 1 87 87 LEU CA C 87 54.549 54.549 54.323 0.226 17588 6965 1 12 . 1 1 87 87 LEU CB C 87 41.371 41.371 40.652 0.719 17588 6966 1 12 . 1 1 87 87 LEU H H 87 7.778 7.778 7.940 -0.162 17588 6967 1 12 . 1 1 88 88 LYS N N 88 119.798 119.798 119.301 0.497 17588 6968 1 12 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.133 0.115 17588 6969 1 12 . 1 1 88 88 LYS C C 88 176.594 176.594 176.019 0.575 17588 6970 1 12 . 1 1 88 88 LYS CA C 88 57.674 57.674 56.281 1.393 17588 6971 1 12 . 1 1 88 88 LYS CB C 88 32.671 32.671 30.227 2.444 17588 6972 1 12 . 1 1 88 88 LYS H H 88 7.328 7.328 8.029 -0.701 17588 6973 1 12 . 1 1 89 89 SER N N 89 117.937 117.937 119.752 -1.815 17588 6974 1 12 . 1 1 89 89 SER HA H 89 4.785 4.785 4.575 0.210 17588 6975 1 12 . 1 1 89 89 SER CA C 89 57.375 57.375 57.052 0.323 17588 6976 1 12 . 1 1 89 89 SER CB C 89 64.838 64.838 62.210 2.628 17588 6977 1 12 . 1 1 89 89 SER H H 89 8.197 8.197 8.799 -0.602 17588 6978 1 12 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.901 0.253 17588 6979 1 12 . 1 1 90 90 LYS C C 90 177.472 177.472 175.280 2.192 17588 6980 1 12 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.688 0.706 17588 6981 1 12 . 1 1 90 90 LYS CB C 90 31.767 31.767 29.863 1.904 17588 6982 1 12 . 1 1 90 90 LYS H H 90 7.981 7.981 7.677 0.304 17588 6983 1 12 . 1 1 91 91 THR N N 91 113.435 113.435 113.754 -0.319 17588 6984 1 12 . 1 1 91 91 THR HA H 91 4.342 4.342 4.461 -0.119 17588 6985 1 12 . 1 1 91 91 THR C C 91 174.236 174.236 174.052 0.184 17588 6986 1 12 . 1 1 91 91 THR CA C 91 61.203 61.203 61.511 -0.308 17588 6987 1 12 . 1 1 91 91 THR CB C 91 69.254 69.254 71.617 -2.363 17588 6988 1 12 . 1 1 91 91 THR H H 91 7.942 7.942 7.670 0.272 17588 6989 1 12 . 1 1 92 92 ALA N N 92 129.685 129.685 127.510 2.175 17588 6990 1 12 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.637 -0.459 17588 6991 1 12 . 1 1 92 92 ALA C C 92 178.710 178.710 176.479 2.231 17588 6992 1 12 . 1 1 92 92 ALA CA C 92 53.583 53.583 52.404 1.179 17588 6993 1 12 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.873 -0.792 17588 6994 1 12 . 1 1 92 92 ALA H H 92 8.603 8.603 8.542 0.061 17588 6995 1 12 . 1 1 93 93 GLY N N 93 109.919 109.919 106.464 3.455 17588 6996 1 12 . 1 1 93 93 GLY C C 93 176.310 176.310 173.547 2.763 17588 6997 1 12 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.512 -0.007 17588 6998 1 12 . 1 1 93 93 GLY H H 93 8.823 8.823 7.875 0.948 17588 6999 1 12 . 1 1 94 94 LYS N N 94 120.949 120.949 120.401 0.548 17588 7000 1 12 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.284 -0.492 17588 7001 1 12 . 1 1 94 94 LYS C C 94 177.630 177.630 176.880 0.750 17588 7002 1 12 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.611 2.995 17588 7003 1 12 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.339 -0.093 17588 7004 1 12 . 1 1 94 94 LYS H H 94 7.501 7.501 7.978 -0.477 17588 7005 1 12 . 1 1 95 95 TYR N N 95 113.034 113.034 117.836 -4.802 17588 7006 1 12 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.793 0.254 17588 7007 1 12 . 1 1 95 95 TYR C C 95 176.649 176.649 175.970 0.679 17588 7008 1 12 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.927 0.009 17588 7009 1 12 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.001 1.999 17588 7010 1 12 . 1 1 95 95 TYR H H 95 8.670 8.670 8.564 0.106 17588 7011 1 12 . 1 1 96 96 ASP N N 96 123.097 123.097 121.995 1.102 17588 7012 1 12 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.623 -0.294 17588 7013 1 12 . 1 1 96 96 ASP C C 96 178.087 178.087 178.304 -0.217 17588 7014 1 12 . 1 1 96 96 ASP CA C 96 58.619 58.619 57.993 0.626 17588 7015 1 12 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.642 -1.072 17588 7016 1 12 . 1 1 96 96 ASP H H 96 7.756 7.756 7.902 -0.146 17588 7017 1 12 . 1 1 97 97 ARG N N 97 118.384 118.384 119.085 -0.701 17588 7018 1 12 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.242 0.020 17588 7019 1 12 . 1 1 97 97 ARG C C 97 179.927 179.927 178.734 1.193 17588 7020 1 12 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.117 0.629 17588 7021 1 12 . 1 1 97 97 ARG CB C 97 29.794 29.794 30.129 -0.335 17588 7022 1 12 . 1 1 97 97 ARG H H 97 8.897 8.897 8.377 0.520 17588 7023 1 12 . 1 1 98 98 VAL N N 98 119.642 119.642 119.003 0.639 17588 7024 1 12 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.102 -0.164 17588 7025 1 12 . 1 1 98 98 VAL C C 98 179.630 179.630 177.979 1.651 17588 7026 1 12 . 1 1 98 98 VAL CA C 98 65.804 65.804 66.433 -0.629 17588 7027 1 12 . 1 1 98 98 VAL CB C 98 32.054 32.054 32.378 -0.324 17588 7028 1 12 . 1 1 98 98 VAL H H 98 7.578 7.578 7.807 -0.229 17588 7029 1 12 . 1 1 99 99 TYR N N 99 122.432 122.432 120.618 1.814 17588 7030 1 12 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.132 -0.198 17588 7031 1 12 . 1 1 99 99 TYR C C 99 176.400 176.400 177.396 -0.996 17588 7032 1 12 . 1 1 99 99 TYR CA C 99 62.906 62.906 62.236 0.670 17588 7033 1 12 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.660 -0.338 17588 7034 1 12 . 1 1 99 99 TYR H H 99 8.635 8.635 8.627 0.008 17588 7035 1 12 . 1 1 100 100 ASN N N 100 117.211 117.211 117.505 -0.294 17588 7036 1 12 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.329 -0.043 17588 7037 1 12 . 1 1 100 100 ASN C C 100 178.488 178.488 177.925 0.563 17588 7038 1 12 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.421 -0.565 17588 7039 1 12 . 1 1 100 100 ASN CB C 100 37.849 37.849 38.071 -0.222 17588 7040 1 12 . 1 1 100 100 ASN H H 100 9.024 9.024 8.481 0.543 17588 7041 1 12 . 1 1 101 101 GLY N N 101 105.413 105.413 107.431 -2.018 17588 7042 1 12 . 1 1 101 101 GLY C C 101 175.833 175.833 175.683 0.150 17588 7043 1 12 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.439 -0.407 17588 7044 1 12 . 1 1 101 101 GLY H H 101 7.908 7.908 7.896 0.012 17588 7045 1 12 . 1 1 102 102 TYR N N 102 126.373 126.373 123.310 3.063 17588 7046 1 12 . 1 1 102 102 TYR HA H 102 3.467 3.467 4.000 -0.533 17588 7047 1 12 . 1 1 102 102 TYR C C 102 176.016 176.016 177.683 -1.667 17588 7048 1 12 . 1 1 102 102 TYR CA C 102 59.553 59.553 59.661 -0.108 17588 7049 1 12 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.419 -0.529 17588 7050 1 12 . 1 1 102 102 TYR H H 102 7.581 7.581 7.491 0.090 17588 7051 1 12 . 1 1 103 103 VAL N N 103 117.870 117.870 118.060 -0.190 17588 7052 1 12 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.263 -0.121 17588 7053 1 12 . 1 1 103 103 VAL C C 103 178.786 178.786 178.208 0.578 17588 7054 1 12 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.677 -0.100 17588 7055 1 12 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.900 0.847 17588 7056 1 12 . 1 1 103 103 VAL H H 103 7.510 7.510 7.475 0.035 17588 7057 1 12 . 1 1 104 104 ILE N N 104 116.770 116.770 118.825 -2.055 17588 7058 1 12 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.487 0.205 17588 7059 1 12 . 1 1 104 104 ILE C C 104 178.703 178.703 178.340 0.363 17588 7060 1 12 . 1 1 104 104 ILE CA C 104 63.837 63.837 65.114 -1.277 17588 7061 1 12 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.635 0.298 17588 7062 1 12 . 1 1 104 104 ILE H H 104 7.056 7.056 7.381 -0.325 17588 7063 1 12 . 1 1 105 105 HIS N N 105 121.324 121.324 119.602 1.722 17588 7064 1 12 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.118 -0.166 17588 7065 1 12 . 1 1 105 105 HIS C C 105 176.974 176.974 177.750 -0.776 17588 7066 1 12 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.957 0.193 17588 7067 1 12 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.709 0.815 17588 7068 1 12 . 1 1 105 105 HIS H H 105 7.864 7.864 7.609 0.255 17588 7069 1 12 . 1 1 106 106 LEU N N 106 115.126 115.126 119.659 -4.533 17588 7070 1 12 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.256 -0.421 17588 7071 1 12 . 1 1 106 106 LEU C C 106 177.315 177.315 178.436 -1.121 17588 7072 1 12 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.908 -2.201 17588 7073 1 12 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.505 0.536 17588 7074 1 12 . 1 1 106 106 LEU H H 106 7.517 7.517 7.811 -0.294 17588 7075 1 12 . 1 1 107 107 ASP N N 107 119.221 119.221 118.246 0.975 17588 7076 1 12 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.321 0.180 17588 7077 1 12 . 1 1 107 107 ASP C C 107 175.224 175.224 176.704 -1.480 17588 7078 1 12 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.907 -1.289 17588 7079 1 12 . 1 1 107 107 ASP CB C 107 40.765 40.765 41.079 -0.314 17588 7080 1 12 . 1 1 107 107 ASP H H 107 7.512 7.512 7.959 -0.447 17588 7081 1 13 . 1 1 6 6 SER HA H 6 4.480 4.480 4.542 -0.062 17588 7082 1 13 . 1 1 6 6 SER C C 6 174.995 174.995 173.757 1.238 17588 7083 1 13 . 1 1 6 6 SER CA C 6 58.675 58.675 57.561 1.114 17588 7084 1 13 . 1 1 6 6 SER CB C 6 63.822 63.822 64.177 -0.355 17588 7085 1 13 . 1 1 7 7 GLY N N 7 110.458 110.458 110.861 -0.403 17588 7086 1 13 . 1 1 7 7 GLY C C 7 173.853 173.853 172.807 1.046 17588 7087 1 13 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.395 -0.048 17588 7088 1 13 . 1 1 7 7 GLY H H 7 8.394 8.394 8.651 -0.257 17588 7089 1 13 . 1 1 8 8 ASN N N 8 119.020 119.020 117.335 1.685 17588 7090 1 13 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.667 0.090 17588 7091 1 13 . 1 1 8 8 ASN C C 8 175.389 175.389 174.483 0.906 17588 7092 1 13 . 1 1 8 8 ASN CA C 8 53.231 53.231 53.744 -0.513 17588 7093 1 13 . 1 1 8 8 ASN CB C 8 38.959 38.959 41.271 -2.312 17588 7094 1 13 . 1 1 8 8 ASN H H 8 8.308 8.308 8.458 -0.150 17588 7095 1 13 . 1 1 9 9 VAL N N 9 120.281 120.281 118.627 1.654 17588 7096 1 13 . 1 1 9 9 VAL HA H 9 4.115 4.115 3.684 0.431 17588 7097 1 13 . 1 1 9 9 VAL C C 9 175.980 175.980 174.258 1.722 17588 7098 1 13 . 1 1 9 9 VAL CA C 9 62.468 62.468 63.195 -0.727 17588 7099 1 13 . 1 1 9 9 VAL CB C 9 32.712 32.712 31.054 1.658 17588 7100 1 13 . 1 1 9 9 VAL H H 9 8.173 8.173 8.416 -0.243 17588 7101 1 13 . 1 1 10 10 ASP N N 10 123.840 123.840 122.246 1.594 17588 7102 1 13 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.705 -0.081 17588 7103 1 13 . 1 1 10 10 ASP C C 10 176.599 176.599 176.137 0.462 17588 7104 1 13 . 1 1 10 10 ASP CA C 10 54.390 54.390 55.167 -0.777 17588 7105 1 13 . 1 1 10 10 ASP CB C 10 41.343 41.343 40.836 0.507 17588 7106 1 13 . 1 1 10 10 ASP H H 10 8.418 8.418 8.412 0.006 17588 7107 1 13 . 1 1 11 11 SER N N 11 117.003 117.003 118.632 -1.629 17588 7108 1 13 . 1 1 11 11 SER HA H 11 4.395 4.395 4.773 -0.378 17588 7109 1 13 . 1 1 11 11 SER C C 11 174.834 174.834 172.933 1.901 17588 7110 1 13 . 1 1 11 11 SER CA C 11 58.886 58.886 58.166 0.720 17588 7111 1 13 . 1 1 11 11 SER CB C 11 63.740 63.740 64.294 -0.554 17588 7112 1 13 . 1 1 11 11 SER H H 11 8.312 8.312 8.377 -0.065 17588 7113 1 13 . 1 1 12 12 ASN N N 12 120.512 120.512 118.227 2.285 17588 7114 1 13 . 1 1 12 12 ASN HA H 12 4.685 4.685 5.124 -0.439 17588 7115 1 13 . 1 1 12 12 ASN C C 12 175.646 175.646 172.963 2.683 17588 7116 1 13 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.803 0.990 17588 7117 1 13 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.588 -0.958 17588 7118 1 13 . 1 1 12 12 ASN H H 12 8.511 8.511 8.798 -0.287 17588 7119 1 13 . 1 1 13 13 GLN N N 13 120.057 120.057 119.318 0.739 17588 7120 1 13 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.674 -0.436 17588 7121 1 13 . 1 1 13 13 GLN C C 13 175.988 175.988 173.822 2.166 17588 7122 1 13 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.121 1.326 17588 7123 1 13 . 1 1 13 13 GLN CB C 13 29.137 29.137 31.721 -2.583 17588 7124 1 13 . 1 1 13 13 GLN H H 13 8.258 8.258 8.577 -0.319 17588 7125 1 13 . 1 1 14 14 ASN N N 14 119.323 119.323 118.696 0.627 17588 7126 1 13 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.901 -0.216 17588 7127 1 13 . 1 1 14 14 ASN C C 14 175.552 175.552 174.210 1.342 17588 7128 1 13 . 1 1 14 14 ASN CA C 14 53.565 53.565 53.162 0.403 17588 7129 1 13 . 1 1 14 14 ASN CB C 14 38.763 38.763 39.888 -1.125 17588 7130 1 13 . 1 1 14 14 ASN H H 14 8.377 8.377 8.666 -0.289 17588 7131 1 13 . 1 1 15 15 LYS N N 15 121.938 121.938 121.470 0.468 17588 7132 1 13 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.794 -0.580 17588 7133 1 13 . 1 1 15 15 LYS C C 15 176.933 176.933 175.720 1.213 17588 7134 1 13 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.887 1.348 17588 7135 1 13 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.874 -1.121 17588 7136 1 13 . 1 1 15 15 LYS H H 15 8.224 8.224 8.401 -0.177 17588 7137 1 13 . 1 1 16 16 ALA N N 16 123.956 123.956 123.084 0.872 17588 7138 1 13 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.698 -0.424 17588 7139 1 13 . 1 1 16 16 ALA C C 16 178.593 178.593 177.389 1.204 17588 7140 1 13 . 1 1 16 16 ALA CA C 16 53.442 53.442 52.224 1.218 17588 7141 1 13 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.441 -1.578 17588 7142 1 13 . 1 1 16 16 ALA H H 16 8.292 8.292 8.637 -0.345 17588 7143 1 13 . 1 1 17 17 SER N N 17 114.462 114.462 115.537 -1.075 17588 7144 1 13 . 1 1 17 17 SER HA H 17 4.365 4.365 4.454 -0.089 17588 7145 1 13 . 1 1 17 17 SER C C 17 175.370 175.370 175.404 -0.034 17588 7146 1 13 . 1 1 17 17 SER CA C 17 59.077 59.077 59.045 0.032 17588 7147 1 13 . 1 1 17 17 SER CB C 17 63.383 63.383 63.510 -0.127 17588 7148 1 13 . 1 1 17 17 SER H H 17 8.200 8.200 8.320 -0.120 17588 7149 1 13 . 1 1 18 18 MET N N 18 121.999 121.999 119.347 2.652 17588 7150 1 13 . 1 1 18 18 MET HA H 18 4.429 4.429 4.194 0.235 17588 7151 1 13 . 1 1 18 18 MET C C 18 176.829 176.829 174.540 2.289 17588 7152 1 13 . 1 1 18 18 MET CA C 18 56.357 56.357 55.657 0.700 17588 7153 1 13 . 1 1 18 18 MET CB C 18 32.630 32.630 30.858 1.772 17588 7154 1 13 . 1 1 18 18 MET H H 18 8.214 8.214 8.199 0.015 17588 7155 1 13 . 1 1 19 19 LEU N N 19 122.083 122.083 120.012 2.071 17588 7156 1 13 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.556 -0.300 17588 7157 1 13 . 1 1 19 19 LEU C C 19 177.774 177.774 175.917 1.857 17588 7158 1 13 . 1 1 19 19 LEU CA C 19 56.111 56.111 55.429 0.682 17588 7159 1 13 . 1 1 19 19 LEU CB C 19 42.041 42.041 42.825 -0.784 17588 7160 1 13 . 1 1 19 19 LEU H H 19 8.076 8.076 7.812 0.264 17588 7161 1 13 . 1 1 20 20 GLN N N 20 120.123 120.123 123.417 -3.294 17588 7162 1 13 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.500 -0.293 17588 7163 1 13 . 1 1 20 20 GLN C C 20 176.166 176.166 174.379 1.787 17588 7164 1 13 . 1 1 20 20 GLN CA C 20 56.409 56.409 54.722 1.687 17588 7165 1 13 . 1 1 20 20 GLN CB C 20 29.196 29.196 30.033 -0.837 17588 7166 1 13 . 1 1 20 20 GLN H H 20 8.174 8.174 8.457 -0.283 17588 7167 1 13 . 1 1 21 21 ALA N N 21 124.216 124.216 122.780 1.436 17588 7168 1 13 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.330 -0.076 17588 7169 1 13 . 1 1 21 21 ALA C C 21 178.034 178.034 177.484 0.550 17588 7170 1 13 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.944 1.182 17588 7171 1 13 . 1 1 21 21 ALA CB C 21 19.071 19.071 19.588 -0.517 17588 7172 1 13 . 1 1 21 21 ALA H H 21 8.151 8.151 8.465 -0.314 17588 7173 1 13 . 1 1 22 22 ARG N N 22 119.591 119.591 119.509 0.082 17588 7174 1 13 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.450 -0.142 17588 7175 1 13 . 1 1 22 22 ARG C C 22 176.750 176.750 176.125 0.625 17588 7176 1 13 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.589 0.838 17588 7177 1 13 . 1 1 22 22 ARG CB C 22 30.616 30.616 30.516 0.100 17588 7178 1 13 . 1 1 22 22 ARG H H 22 8.147 8.147 8.521 -0.374 17588 7179 1 13 . 1 1 23 23 LEU N N 23 122.553 122.553 125.896 -3.343 17588 7180 1 13 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.286 -0.012 17588 7181 1 13 . 1 1 23 23 LEU C C 23 177.547 177.547 176.571 0.976 17588 7182 1 13 . 1 1 23 23 LEU CA C 23 55.690 55.690 55.571 0.119 17588 7183 1 13 . 1 1 23 23 LEU CB C 23 42.082 42.082 42.731 -0.649 17588 7184 1 13 . 1 1 23 23 LEU H H 23 8.220 8.220 8.684 -0.464 17588 7185 1 13 . 1 1 24 24 ASN N N 24 118.666 118.666 115.837 2.829 17588 7186 1 13 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.838 -0.165 17588 7187 1 13 . 1 1 24 24 ASN C C 24 175.246 175.246 173.699 1.547 17588 7188 1 13 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.218 1.347 17588 7189 1 13 . 1 1 24 24 ASN CB C 24 38.836 38.836 40.698 -1.862 17588 7190 1 13 . 1 1 24 24 ASN H H 24 8.351 8.351 8.155 0.196 17588 7191 1 13 . 1 1 25 25 ASP N N 25 120.897 120.897 121.876 -0.979 17588 7192 1 13 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.626 -0.050 17588 7193 1 13 . 1 1 25 25 ASP C C 25 176.732 176.732 174.893 1.839 17588 7194 1 13 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.815 0.891 17588 7195 1 13 . 1 1 25 25 ASP CB C 25 41.219 41.219 43.065 -1.846 17588 7196 1 13 . 1 1 25 25 ASP H H 25 8.234 8.234 8.374 -0.140 17588 7197 1 13 . 1 1 26 26 GLU N N 26 121.168 121.168 124.351 -3.183 17588 7198 1 13 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.314 -0.100 17588 7199 1 13 . 1 1 26 26 GLU C C 26 176.857 176.857 175.584 1.273 17588 7200 1 13 . 1 1 26 26 GLU CA C 26 57.247 57.247 56.372 0.875 17588 7201 1 13 . 1 1 26 26 GLU CB C 26 29.959 29.959 30.184 -0.225 17588 7202 1 13 . 1 1 26 26 GLU H H 26 8.368 8.368 8.597 -0.229 17588 7203 1 13 . 1 1 27 27 ALA N N 27 124.100 124.100 128.571 -4.471 17588 7204 1 13 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.615 -0.298 17588 7205 1 13 . 1 1 27 27 ALA C C 27 178.520 178.520 177.410 1.110 17588 7206 1 13 . 1 1 27 27 ALA CA C 27 52.986 52.986 51.372 1.614 17588 7207 1 13 . 1 1 27 27 ALA CB C 27 18.945 18.945 20.123 -1.178 17588 7208 1 13 . 1 1 27 27 ALA H H 27 8.289 8.289 8.339 -0.050 17588 7209 1 13 . 1 1 28 28 GLY N N 28 107.844 107.844 109.213 -1.369 17588 7210 1 13 . 1 1 28 28 GLY C C 28 175.019 175.019 174.735 0.284 17588 7211 1 13 . 1 1 28 28 GLY CA C 28 45.628 45.628 44.863 0.765 17588 7212 1 13 . 1 1 28 28 GLY H H 28 8.315 8.315 8.429 -0.114 17588 7213 1 13 . 1 1 29 29 GLY N N 29 108.754 108.754 108.974 -0.220 17588 7214 1 13 . 1 1 29 29 GLY C C 29 174.659 174.659 174.237 0.422 17588 7215 1 13 . 1 1 29 29 GLY CA C 29 45.487 45.487 44.459 1.028 17588 7216 1 13 . 1 1 29 29 GLY H H 29 8.266 8.266 7.984 0.282 17588 7217 1 13 . 1 1 30 30 THR N N 30 114.068 114.068 120.020 -5.952 17588 7218 1 13 . 1 1 30 30 THR HA H 30 4.301 4.301 4.441 -0.140 17588 7219 1 13 . 1 1 30 30 THR C C 30 174.789 174.789 174.639 0.150 17588 7220 1 13 . 1 1 30 30 THR CA C 30 62.327 62.327 62.586 -0.259 17588 7221 1 13 . 1 1 30 30 THR CB C 30 69.553 69.553 68.436 1.117 17588 7222 1 13 . 1 1 30 30 THR H H 30 8.111 8.111 8.399 -0.288 17588 7223 1 13 . 1 1 31 31 ARG N N 31 123.536 123.536 124.064 -0.528 17588 7224 1 13 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.628 -0.329 17588 7225 1 13 . 1 1 31 31 ARG C C 31 176.125 176.125 176.550 -0.425 17588 7226 1 13 . 1 1 31 31 ARG CA C 31 56.462 56.462 54.918 1.544 17588 7227 1 13 . 1 1 31 31 ARG CB C 31 30.657 30.657 32.220 -1.563 17588 7228 1 13 . 1 1 31 31 ARG H H 31 8.343 8.343 7.921 0.422 17588 7229 1 13 . 1 1 32 32 LEU N N 32 122.865 122.865 122.953 -0.088 17588 7230 1 13 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.434 -0.115 17588 7231 1 13 . 1 1 32 32 LEU C C 32 177.036 177.036 175.554 1.482 17588 7232 1 13 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.499 0.734 17588 7233 1 13 . 1 1 32 32 LEU CB C 32 42.264 42.264 40.926 1.338 17588 7234 1 13 . 1 1 32 32 LEU H H 32 8.203 8.203 8.609 -0.406 17588 7235 1 13 . 1 1 33 33 LEU N N 33 123.054 123.054 121.197 1.857 17588 7236 1 13 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.644 -0.308 17588 7237 1 13 . 1 1 33 33 LEU C C 33 177.022 177.022 175.936 1.086 17588 7238 1 13 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.563 0.506 17588 7239 1 13 . 1 1 33 33 LEU CB C 33 42.288 42.288 45.026 -2.738 17588 7240 1 13 . 1 1 33 33 LEU H H 33 8.150 8.150 7.417 0.733 17588 7241 1 13 . 1 1 34 34 ARG N N 34 122.226 122.226 123.888 -1.662 17588 7242 1 13 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.656 -0.319 17588 7243 1 13 . 1 1 34 34 ARG C C 34 175.950 175.950 176.071 -0.121 17588 7244 1 13 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.287 0.631 17588 7245 1 13 . 1 1 34 34 ARG CB C 34 30.781 30.781 29.352 1.429 17588 7246 1 13 . 1 1 34 34 ARG H H 34 8.248 8.248 8.394 -0.146 17588 7247 1 13 . 1 1 35 35 VAL N N 35 121.294 121.294 116.689 4.605 17588 7248 1 13 . 1 1 35 35 VAL HA H 35 4.041 4.041 3.935 0.106 17588 7249 1 13 . 1 1 35 35 VAL C C 35 175.709 175.709 176.389 -0.680 17588 7250 1 13 . 1 1 35 35 VAL CA C 35 62.240 62.240 64.062 -1.822 17588 7251 1 13 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.097 0.656 17588 7252 1 13 . 1 1 35 35 VAL H H 35 8.107 8.107 8.303 -0.196 17588 7253 1 13 . 1 1 36 36 HIS N N 36 123.522 123.522 118.489 5.033 17588 7254 1 13 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.567 0.031 17588 7255 1 13 . 1 1 36 36 HIS C C 36 174.825 174.825 174.201 0.624 17588 7256 1 13 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.288 -0.177 17588 7257 1 13 . 1 1 36 36 HIS CB C 36 30.944 30.944 31.361 -0.417 17588 7258 1 13 . 1 1 36 36 HIS H H 36 8.410 8.410 8.101 0.309 17588 7259 1 13 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.862 -0.262 17588 7260 1 13 . 1 1 37 37 HIS C C 37 175.173 175.173 173.676 1.497 17588 7261 1 13 . 1 1 37 37 HIS CA C 37 56.217 56.217 55.303 0.914 17588 7262 1 13 . 1 1 37 37 HIS CB C 37 31.027 31.027 33.243 -2.216 17588 7263 1 13 . 1 1 38 38 GLU N N 38 122.826 122.826 120.136 2.690 17588 7264 1 13 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.520 -0.265 17588 7265 1 13 . 1 1 38 38 GLU C C 38 176.483 176.483 176.774 -0.291 17588 7266 1 13 . 1 1 38 38 GLU CA C 38 56.919 56.919 56.217 0.702 17588 7267 1 13 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.258 0.070 17588 7268 1 13 . 1 1 38 38 GLU H H 38 8.569 8.569 8.557 0.012 17588 7269 1 13 . 1 1 39 39 SER N N 39 116.398 116.398 117.865 -1.467 17588 7270 1 13 . 1 1 39 39 SER HA H 39 4.454 4.454 4.406 0.048 17588 7271 1 13 . 1 1 39 39 SER C C 39 174.497 174.497 174.375 0.122 17588 7272 1 13 . 1 1 39 39 SER CA C 39 58.552 58.552 57.762 0.790 17588 7273 1 13 . 1 1 39 39 SER CB C 39 64.028 64.028 63.966 0.062 17588 7274 1 13 . 1 1 39 39 SER H H 39 8.444 8.444 8.381 0.063 17588 7275 1 13 . 1 1 40 40 ASP N N 40 122.831 122.831 120.658 2.173 17588 7276 1 13 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.760 -0.088 17588 7277 1 13 . 1 1 40 40 ASP C C 40 176.783 176.783 175.653 1.130 17588 7278 1 13 . 1 1 40 40 ASP CA C 40 54.759 54.759 53.953 0.806 17588 7279 1 13 . 1 1 40 40 ASP CB C 40 41.014 41.014 41.862 -0.848 17588 7280 1 13 . 1 1 40 40 ASP H H 40 8.469 8.469 8.449 0.020 17588 7281 1 13 . 1 1 41 41 THR N N 41 113.679 113.679 119.469 -5.790 17588 7282 1 13 . 1 1 41 41 THR HA H 41 4.181 4.181 4.510 -0.329 17588 7283 1 13 . 1 1 41 41 THR C C 41 175.314 175.314 174.214 1.100 17588 7284 1 13 . 1 1 41 41 THR CA C 41 62.819 62.819 61.387 1.432 17588 7285 1 13 . 1 1 41 41 THR CB C 41 69.576 69.576 69.710 -0.134 17588 7286 1 13 . 1 1 41 41 THR H H 41 8.066 8.066 8.237 -0.171 17588 7287 1 13 . 1 1 42 42 GLU N N 42 122.776 122.776 126.228 -3.452 17588 7288 1 13 . 1 1 42 42 GLU HA H 42 4.208 4.208 3.984 0.224 17588 7289 1 13 . 1 1 42 42 GLU C C 42 177.129 177.129 176.115 1.014 17588 7290 1 13 . 1 1 42 42 GLU CA C 42 57.322 57.322 57.806 -0.484 17588 7291 1 13 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.383 -0.383 17588 7292 1 13 . 1 1 42 42 GLU H H 42 8.343 8.343 8.579 -0.236 17588 7293 1 13 . 1 1 43 43 GLU N N 43 121.898 121.898 124.322 -2.424 17588 7294 1 13 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.326 -0.115 17588 7295 1 13 . 1 1 43 43 GLU C C 43 177.313 177.313 176.511 0.802 17588 7296 1 13 . 1 1 43 43 GLU CA C 43 57.453 57.453 56.359 1.094 17588 7297 1 13 . 1 1 43 43 GLU CB C 43 29.959 29.959 30.441 -0.482 17588 7298 1 13 . 1 1 43 43 GLU H H 43 8.397 8.397 8.578 -0.181 17588 7299 1 13 . 1 1 44 44 ARG N N 44 121.336 121.336 123.046 -1.710 17588 7300 1 13 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.108 0.118 17588 7301 1 13 . 1 1 44 44 ARG C C 44 178.048 178.048 178.074 -0.026 17588 7302 1 13 . 1 1 44 44 ARG CA C 44 57.779 57.779 57.991 -0.212 17588 7303 1 13 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.039 1.327 17588 7304 1 13 . 1 1 44 44 ARG H H 44 8.401 8.401 8.469 -0.068 17588 7305 1 13 . 1 1 45 45 GLY N N 45 109.098 109.098 114.500 -5.402 17588 7306 1 13 . 1 1 45 45 GLY C C 45 175.522 175.522 175.655 -0.133 17588 7307 1 13 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.906 0.494 17588 7308 1 13 . 1 1 45 45 GLY H H 45 8.536 8.536 8.871 -0.335 17588 7309 1 13 . 1 1 46 46 PHE N N 46 121.592 121.592 123.330 -1.738 17588 7310 1 13 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.087 0.330 17588 7311 1 13 . 1 1 46 46 PHE C C 46 177.561 177.561 176.440 1.121 17588 7312 1 13 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.480 -1.400 17588 7313 1 13 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.145 -0.234 17588 7314 1 13 . 1 1 46 46 PHE H H 46 8.071 8.071 7.606 0.465 17588 7315 1 13 . 1 1 47 47 LEU N N 47 121.344 121.344 118.600 2.744 17588 7316 1 13 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.781 0.261 17588 7317 1 13 . 1 1 47 47 LEU C C 47 179.621 179.621 178.457 1.164 17588 7318 1 13 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.911 -0.451 17588 7319 1 13 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.695 -0.058 17588 7320 1 13 . 1 1 47 47 LEU H H 47 8.215 8.215 8.001 0.214 17588 7321 1 13 . 1 1 48 48 GLU N N 48 121.986 121.986 119.665 2.321 17588 7322 1 13 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.673 0.315 17588 7323 1 13 . 1 1 48 48 GLU C C 48 177.573 177.573 178.415 -0.842 17588 7324 1 13 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.537 -0.230 17588 7325 1 13 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.331 0.317 17588 7326 1 13 . 1 1 48 48 GLU H H 48 8.225 8.225 8.288 -0.063 17588 7327 1 13 . 1 1 49 49 LYS N N 49 118.759 118.759 118.366 0.393 17588 7328 1 13 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.690 -0.447 17588 7329 1 13 . 1 1 49 49 LYS C C 49 177.659 177.659 178.526 -0.867 17588 7330 1 13 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.479 0.407 17588 7331 1 13 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.270 0.032 17588 7332 1 13 . 1 1 49 49 LYS H H 49 7.790 7.790 8.118 -0.328 17588 7333 1 13 . 1 1 50 50 ALA N N 50 120.023 120.023 120.638 -0.615 17588 7334 1 13 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.887 0.072 17588 7335 1 13 . 1 1 50 50 ALA C C 50 180.486 180.486 179.262 1.224 17588 7336 1 13 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.764 0.117 17588 7337 1 13 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.741 0.136 17588 7338 1 13 . 1 1 50 50 ALA H H 50 7.798 7.798 7.170 0.628 17588 7339 1 13 . 1 1 51 51 ALA N N 51 121.955 121.955 121.237 0.718 17588 7340 1 13 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.819 0.294 17588 7341 1 13 . 1 1 51 51 ALA C C 51 180.762 180.762 179.508 1.254 17588 7342 1 13 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.059 0.053 17588 7343 1 13 . 1 1 51 51 ALA CB C 51 18.041 18.041 17.897 0.144 17588 7344 1 13 . 1 1 51 51 ALA H H 51 7.809 7.809 7.427 0.382 17588 7345 1 13 . 1 1 52 52 VAL N N 52 120.415 120.415 118.754 1.661 17588 7346 1 13 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.504 0.146 17588 7347 1 13 . 1 1 52 52 VAL C C 52 178.567 178.567 178.385 0.182 17588 7348 1 13 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.642 0.585 17588 7349 1 13 . 1 1 52 52 VAL CB C 52 31.110 31.110 31.084 0.026 17588 7350 1 13 . 1 1 52 52 VAL H H 52 7.944 7.944 7.576 0.368 17588 7351 1 13 . 1 1 53 53 LYS N N 53 119.231 119.231 117.544 1.687 17588 7352 1 13 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.646 -0.082 17588 7353 1 13 . 1 1 53 53 LYS C C 53 178.546 178.546 178.772 -0.226 17588 7354 1 13 . 1 1 53 53 LYS CA C 53 60.720 60.720 58.718 2.002 17588 7355 1 13 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.691 0.560 17588 7356 1 13 . 1 1 53 53 LYS H H 53 8.132 8.132 7.868 0.264 17588 7357 1 13 . 1 1 54 54 LYS N N 54 119.514 119.514 120.484 -0.970 17588 7358 1 13 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.924 0.069 17588 7359 1 13 . 1 1 54 54 LYS C C 54 179.987 179.987 178.842 1.145 17588 7360 1 13 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.852 0.385 17588 7361 1 13 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.324 0.159 17588 7362 1 13 . 1 1 54 54 LYS H H 54 7.956 7.956 8.234 -0.278 17588 7363 1 13 . 1 1 55 55 MET N N 55 119.732 119.732 116.528 3.204 17588 7364 1 13 . 1 1 55 55 MET HA H 55 4.251 4.251 3.933 0.318 17588 7365 1 13 . 1 1 55 55 MET C C 55 177.536 177.536 178.329 -0.793 17588 7366 1 13 . 1 1 55 55 MET CA C 55 58.396 58.396 58.575 -0.179 17588 7367 1 13 . 1 1 55 55 MET CB C 55 34.228 34.228 32.140 2.088 17588 7368 1 13 . 1 1 55 55 MET H H 55 7.816 7.816 8.499 -0.683 17588 7369 1 13 . 1 1 56 56 ALA N N 56 122.295 122.295 121.472 0.823 17588 7370 1 13 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.180 -0.028 17588 7371 1 13 . 1 1 56 56 ALA C C 56 179.615 179.615 179.293 0.322 17588 7372 1 13 . 1 1 56 56 ALA CA C 56 55.338 55.338 54.594 0.744 17588 7373 1 13 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.464 0.642 17588 7374 1 13 . 1 1 56 56 ALA H H 56 8.724 8.724 7.311 1.413 17588 7375 1 13 . 1 1 57 57 LYS N N 57 117.704 117.704 120.336 -2.632 17588 7376 1 13 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.141 -0.057 17588 7377 1 13 . 1 1 57 57 LYS C C 57 179.358 179.358 179.019 0.339 17588 7378 1 13 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.587 0.386 17588 7379 1 13 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.510 -0.009 17588 7380 1 13 . 1 1 57 57 LYS H H 57 8.444 8.444 8.024 0.420 17588 7381 1 13 . 1 1 58 58 ALA N N 58 122.736 122.736 120.329 2.407 17588 7382 1 13 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.004 0.167 17588 7383 1 13 . 1 1 58 58 ALA C C 58 180.708 180.708 179.223 1.485 17588 7384 1 13 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.018 0.093 17588 7385 1 13 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.392 -0.844 17588 7386 1 13 . 1 1 58 58 ALA H H 58 7.701 7.701 7.972 -0.271 17588 7387 1 13 . 1 1 59 59 ILE N N 59 117.672 117.672 118.796 -1.124 17588 7388 1 13 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.997 -0.324 17588 7389 1 13 . 1 1 59 59 ILE C C 59 177.728 177.728 178.067 -0.339 17588 7390 1 13 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.184 -0.206 17588 7391 1 13 . 1 1 59 59 ILE CB C 59 37.813 37.813 38.021 -0.208 17588 7392 1 13 . 1 1 59 59 ILE H H 59 7.547 7.547 7.368 0.179 17588 7393 1 13 . 1 1 60 60 MET N N 60 117.653 117.653 116.587 1.066 17588 7394 1 13 . 1 1 60 60 MET HA H 60 4.098 4.098 4.129 -0.031 17588 7395 1 13 . 1 1 60 60 MET C C 60 178.085 178.085 176.924 1.161 17588 7396 1 13 . 1 1 60 60 MET CA C 60 58.060 58.060 58.006 0.054 17588 7397 1 13 . 1 1 60 60 MET CB C 60 32.178 32.178 32.377 -0.199 17588 7398 1 13 . 1 1 60 60 MET H H 60 7.718 7.718 7.861 -0.143 17588 7399 1 13 . 1 1 61 61 ALA N N 61 118.874 118.874 121.019 -2.145 17588 7400 1 13 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.428 -0.154 17588 7401 1 13 . 1 1 61 61 ALA C C 61 177.758 177.758 177.539 0.219 17588 7402 1 13 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.717 0.725 17588 7403 1 13 . 1 1 61 61 ALA CB C 61 19.068 19.068 20.529 -1.461 17588 7404 1 13 . 1 1 61 61 ALA H H 61 7.513 7.513 7.374 0.139 17588 7405 1 13 . 1 1 62 62 ASP N N 62 115.735 115.735 119.584 -3.849 17588 7406 1 13 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.041 -0.108 17588 7407 1 13 . 1 1 62 62 ASP C C 62 172.960 172.960 174.663 -1.703 17588 7408 1 13 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.569 -0.445 17588 7409 1 13 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.941 -0.557 17588 7410 1 13 . 1 1 62 62 ASP H H 62 7.615 7.615 7.946 -0.331 17588 7411 1 13 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.365 0.081 17588 7412 1 13 . 1 1 63 63 PRO C C 63 179.157 179.157 178.415 0.742 17588 7413 1 13 . 1 1 63 63 PRO CA C 63 64.399 64.399 65.120 -0.720 17588 7414 1 13 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.248 0.012 17588 7415 1 13 . 1 1 64 64 ASN N N 64 115.566 115.566 116.749 -1.183 17588 7416 1 13 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.386 0.166 17588 7417 1 13 . 1 1 64 64 ASN C C 64 176.867 176.867 177.115 -0.248 17588 7418 1 13 . 1 1 64 64 ASN CA C 64 55.321 55.321 56.422 -1.101 17588 7419 1 13 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.800 0.101 17588 7420 1 13 . 1 1 64 64 ASN H H 64 8.094 8.094 8.660 -0.566 17588 7421 1 13 . 1 1 65 65 LYS N N 65 118.691 118.691 118.960 -0.269 17588 7422 1 13 . 1 1 65 65 LYS HA H 65 4.178 4.178 3.997 0.181 17588 7423 1 13 . 1 1 65 65 LYS C C 65 175.844 175.844 177.875 -2.031 17588 7424 1 13 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.656 -2.422 17588 7425 1 13 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.734 1.143 17588 7426 1 13 . 1 1 65 65 LYS H H 65 8.185 8.185 8.196 -0.011 17588 7427 1 13 . 1 1 66 66 ALA N N 66 120.147 120.147 122.238 -2.091 17588 7428 1 13 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.498 -0.456 17588 7429 1 13 . 1 1 66 66 ALA C C 66 176.697 176.697 178.583 -1.886 17588 7430 1 13 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.888 -0.076 17588 7431 1 13 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.868 0.366 17588 7432 1 13 . 1 1 66 66 ALA H H 66 7.233 7.233 8.207 -0.974 17588 7433 1 13 . 1 1 67 67 ASP N N 67 114.524 114.524 117.812 -3.288 17588 7434 1 13 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.425 -0.252 17588 7435 1 13 . 1 1 67 67 ASP C C 67 178.071 178.071 178.302 -0.231 17588 7436 1 13 . 1 1 67 67 ASP CA C 67 58.368 58.368 56.909 1.459 17588 7437 1 13 . 1 1 67 67 ASP CB C 67 40.644 40.644 39.776 0.868 17588 7438 1 13 . 1 1 67 67 ASP H H 67 8.114 8.114 7.999 0.115 17588 7439 1 13 . 1 1 68 68 GLU N N 68 117.486 117.486 120.691 -3.205 17588 7440 1 13 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.871 0.022 17588 7441 1 13 . 1 1 68 68 GLU C C 68 178.885 178.885 179.100 -0.215 17588 7442 1 13 . 1 1 68 68 GLU CA C 68 58.745 58.745 59.076 -0.331 17588 7443 1 13 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.234 0.427 17588 7444 1 13 . 1 1 68 68 GLU H H 68 7.846 7.846 7.379 0.467 17588 7445 1 13 . 1 1 69 69 VAL N N 69 120.957 120.957 119.970 0.987 17588 7446 1 13 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.167 -0.121 17588 7447 1 13 . 1 1 69 69 VAL C C 69 176.618 176.618 177.853 -1.235 17588 7448 1 13 . 1 1 69 69 VAL CA C 69 66.453 66.453 65.679 0.774 17588 7449 1 13 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.314 0.725 17588 7450 1 13 . 1 1 69 69 VAL H H 69 7.325 7.325 8.181 -0.856 17588 7451 1 13 . 1 1 70 70 TYR N N 70 117.638 117.638 118.206 -0.568 17588 7452 1 13 . 1 1 70 70 TYR HA H 70 4.175 4.175 3.964 0.211 17588 7453 1 13 . 1 1 70 70 TYR C C 70 178.493 178.493 178.114 0.379 17588 7454 1 13 . 1 1 70 70 TYR CA C 70 57.481 57.481 61.087 -3.606 17588 7455 1 13 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.862 -2.999 17588 7456 1 13 . 1 1 70 70 TYR H H 70 8.483 8.483 7.390 1.093 17588 7457 1 13 . 1 1 71 71 LYS N N 71 117.283 117.283 117.602 -0.319 17588 7458 1 13 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.090 0.124 17588 7459 1 13 . 1 1 71 71 LYS C C 71 178.790 178.790 179.355 -0.565 17588 7460 1 13 . 1 1 71 71 LYS CA C 71 59.793 59.793 58.865 0.927 17588 7461 1 13 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.057 0.450 17588 7462 1 13 . 1 1 71 71 LYS H H 71 7.754 7.754 7.843 -0.089 17588 7463 1 13 . 1 1 72 72 LYS N N 72 120.053 120.053 120.395 -0.342 17588 7464 1 13 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.998 0.143 17588 7465 1 13 . 1 1 72 72 LYS C C 72 180.399 180.399 179.007 1.392 17588 7466 1 13 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.627 0.101 17588 7467 1 13 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.269 -0.255 17588 7468 1 13 . 1 1 72 72 LYS H H 72 7.386 7.386 7.835 -0.449 17588 7469 1 13 . 1 1 73 73 TRP N N 73 121.910 121.910 120.326 1.584 17588 7470 1 13 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.529 -0.016 17588 7471 1 13 . 1 1 73 73 TRP C C 73 177.981 177.981 179.110 -1.129 17588 7472 1 13 . 1 1 73 73 TRP CA C 73 57.915 57.915 60.513 -2.598 17588 7473 1 13 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.037 1.526 17588 7474 1 13 . 1 1 73 73 TRP H H 73 8.659 8.659 8.248 0.411 17588 7475 1 13 . 1 1 74 74 ALA N N 74 123.471 123.471 120.205 3.266 17588 7476 1 13 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.236 0.256 17588 7477 1 13 . 1 1 74 74 ALA C C 74 182.881 182.881 179.875 3.006 17588 7478 1 13 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.219 0.130 17588 7479 1 13 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.418 -0.026 17588 7480 1 13 . 1 1 74 74 ALA H H 74 9.137 9.137 8.189 0.948 17588 7481 1 13 . 1 1 75 75 ASP N N 75 121.896 121.896 118.087 3.809 17588 7482 1 13 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.492 -0.028 17588 7483 1 13 . 1 1 75 75 ASP C C 75 178.714 178.714 178.309 0.405 17588 7484 1 13 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.658 0.436 17588 7485 1 13 . 1 1 75 75 ASP CB C 75 40.585 40.585 41.115 -0.531 17588 7486 1 13 . 1 1 75 75 ASP H H 75 8.804 8.804 8.010 0.794 17588 7487 1 13 . 1 1 76 76 LYS N N 76 118.966 118.966 117.440 1.526 17588 7488 1 13 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.056 -0.027 17588 7489 1 13 . 1 1 76 76 LYS C C 76 176.868 176.868 177.573 -0.705 17588 7490 1 13 . 1 1 76 76 LYS CA C 76 56.497 56.497 57.090 -0.593 17588 7491 1 13 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.976 -1.291 17588 7492 1 13 . 1 1 76 76 LYS H H 76 7.630 7.630 8.064 -0.434 17588 7493 1 13 . 1 1 77 77 GLY N N 77 107.310 107.310 105.944 1.366 17588 7494 1 13 . 1 1 77 77 GLY C C 77 175.407 175.407 173.749 1.658 17588 7495 1 13 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.559 0.630 17588 7496 1 13 . 1 1 77 77 GLY H H 77 7.901 7.901 8.006 -0.105 17588 7497 1 13 . 1 1 78 78 TYR N N 78 117.917 117.917 120.100 -2.183 17588 7498 1 13 . 1 1 78 78 TYR HA H 78 5.292 5.292 5.010 0.282 17588 7499 1 13 . 1 1 78 78 TYR C C 78 178.422 178.422 175.399 3.023 17588 7500 1 13 . 1 1 78 78 TYR CA C 78 55.545 55.545 57.005 -1.460 17588 7501 1 13 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.647 -3.866 17588 7502 1 13 . 1 1 78 78 TYR H H 78 7.506 7.506 7.656 -0.150 17588 7503 1 13 . 1 1 79 79 THR N N 79 119.420 119.420 111.528 7.892 17588 7504 1 13 . 1 1 79 79 THR HA H 79 4.518 4.518 4.896 -0.378 17588 7505 1 13 . 1 1 79 79 THR C C 79 175.648 175.648 175.205 0.443 17588 7506 1 13 . 1 1 79 79 THR CA C 79 60.027 60.027 59.871 0.156 17588 7507 1 13 . 1 1 79 79 THR CB C 79 71.622 71.622 72.189 -0.567 17588 7508 1 13 . 1 1 79 79 THR H H 79 8.957 8.957 8.126 0.831 17588 7509 1 13 . 1 1 80 80 LEU N N 80 119.655 119.655 122.138 -2.483 17588 7510 1 13 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.299 -0.119 17588 7511 1 13 . 1 1 80 80 LEU C C 80 180.085 180.085 178.858 1.227 17588 7512 1 13 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.724 0.189 17588 7513 1 13 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.102 -1.450 17588 7514 1 13 . 1 1 80 80 LEU H H 80 9.005 9.005 8.860 0.145 17588 7515 1 13 . 1 1 81 81 THR N N 81 115.259 115.259 113.583 1.676 17588 7516 1 13 . 1 1 81 81 THR HA H 81 3.939 3.939 3.956 -0.017 17588 7517 1 13 . 1 1 81 81 THR C C 81 177.000 177.000 176.979 0.021 17588 7518 1 13 . 1 1 81 81 THR CA C 81 66.349 66.349 66.204 0.145 17588 7519 1 13 . 1 1 81 81 THR CB C 81 68.591 68.591 68.203 0.388 17588 7520 1 13 . 1 1 81 81 THR H H 81 8.135 8.135 8.180 -0.045 17588 7521 1 13 . 1 1 82 82 GLN N N 82 121.304 121.304 119.787 1.517 17588 7522 1 13 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.827 -0.174 17588 7523 1 13 . 1 1 82 82 GLN C C 82 178.354 178.354 177.950 0.404 17588 7524 1 13 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.117 0.523 17588 7525 1 13 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.055 0.859 17588 7526 1 13 . 1 1 82 82 GLN H H 82 7.641 7.641 7.539 0.102 17588 7527 1 13 . 1 1 83 83 MET N N 83 117.464 117.464 119.859 -2.395 17588 7528 1 13 . 1 1 83 83 MET HA H 83 4.425 4.425 3.970 0.455 17588 7529 1 13 . 1 1 83 83 MET C C 83 177.906 177.906 177.874 0.032 17588 7530 1 13 . 1 1 83 83 MET CA C 83 55.462 55.462 58.300 -2.838 17588 7531 1 13 . 1 1 83 83 MET CB C 83 29.014 29.014 32.278 -3.264 17588 7532 1 13 . 1 1 83 83 MET H H 83 8.665 8.665 8.532 0.133 17588 7533 1 13 . 1 1 84 84 SER N N 84 114.879 114.879 114.383 0.496 17588 7534 1 13 . 1 1 84 84 SER HA H 84 3.689 3.689 3.577 0.112 17588 7535 1 13 . 1 1 84 84 SER C C 84 176.666 176.666 176.564 0.102 17588 7536 1 13 . 1 1 84 84 SER CA C 84 61.347 61.347 61.748 -0.401 17588 7537 1 13 . 1 1 84 84 SER CB C 84 62.356 62.356 62.028 0.328 17588 7538 1 13 . 1 1 84 84 SER H H 84 8.607 8.607 8.586 0.021 17588 7539 1 13 . 1 1 85 85 ASN N N 85 117.904 117.904 120.737 -2.833 17588 7540 1 13 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.299 0.116 17588 7541 1 13 . 1 1 85 85 ASN C C 85 177.997 177.997 177.460 0.537 17588 7542 1 13 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.743 0.209 17588 7543 1 13 . 1 1 85 85 ASN CB C 85 38.260 38.260 38.213 0.047 17588 7544 1 13 . 1 1 85 85 ASN H H 85 7.204 7.204 7.736 -0.532 17588 7545 1 13 . 1 1 86 86 PHE N N 86 118.316 118.316 118.692 -0.376 17588 7546 1 13 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.076 0.352 17588 7547 1 13 . 1 1 86 86 PHE C C 86 177.478 177.478 177.076 0.402 17588 7548 1 13 . 1 1 86 86 PHE CA C 86 58.394 58.394 60.608 -2.214 17588 7549 1 13 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.249 0.586 17588 7550 1 13 . 1 1 86 86 PHE H H 86 8.367 8.367 7.572 0.795 17588 7551 1 13 . 1 1 87 87 LEU N N 87 112.533 112.533 117.293 -4.760 17588 7552 1 13 . 1 1 87 87 LEU HA H 87 4.100 4.100 3.714 0.386 17588 7553 1 13 . 1 1 87 87 LEU C C 87 176.474 176.474 177.596 -1.122 17588 7554 1 13 . 1 1 87 87 LEU CA C 87 54.549 54.549 56.410 -1.861 17588 7555 1 13 . 1 1 87 87 LEU CB C 87 41.371 41.371 41.832 -0.461 17588 7556 1 13 . 1 1 87 87 LEU H H 87 7.778 7.778 8.202 -0.424 17588 7557 1 13 . 1 1 88 88 LYS N N 88 119.798 119.798 119.032 0.766 17588 7558 1 13 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.127 0.121 17588 7559 1 13 . 1 1 88 88 LYS C C 88 176.594 176.594 175.948 0.646 17588 7560 1 13 . 1 1 88 88 LYS CA C 88 57.674 57.674 57.262 0.412 17588 7561 1 13 . 1 1 88 88 LYS CB C 88 32.671 32.671 32.328 0.343 17588 7562 1 13 . 1 1 88 88 LYS H H 88 7.328 7.328 7.695 -0.367 17588 7563 1 13 . 1 1 89 89 SER N N 89 117.937 117.937 120.167 -2.230 17588 7564 1 13 . 1 1 89 89 SER HA H 89 4.785 4.785 4.531 0.254 17588 7565 1 13 . 1 1 89 89 SER CA C 89 57.375 57.375 57.851 -0.476 17588 7566 1 13 . 1 1 89 89 SER CB C 89 64.838 64.838 63.209 1.629 17588 7567 1 13 . 1 1 89 89 SER H H 89 8.197 8.197 8.853 -0.656 17588 7568 1 13 . 1 1 90 90 LYS HA H 90 4.154 4.154 4.089 0.065 17588 7569 1 13 . 1 1 90 90 LYS C C 90 177.472 177.472 175.237 2.235 17588 7570 1 13 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.629 0.765 17588 7571 1 13 . 1 1 90 90 LYS CB C 90 31.767 31.767 31.041 0.726 17588 7572 1 13 . 1 1 90 90 LYS H H 90 7.981 7.981 8.461 -0.480 17588 7573 1 13 . 1 1 91 91 THR N N 91 113.435 113.435 112.674 0.761 17588 7574 1 13 . 1 1 91 91 THR HA H 91 4.342 4.342 4.431 -0.089 17588 7575 1 13 . 1 1 91 91 THR C C 91 174.236 174.236 174.056 0.180 17588 7576 1 13 . 1 1 91 91 THR CA C 91 61.203 61.203 61.059 0.144 17588 7577 1 13 . 1 1 91 91 THR CB C 91 69.254 69.254 69.819 -0.565 17588 7578 1 13 . 1 1 91 91 THR H H 91 7.942 7.942 7.691 0.251 17588 7579 1 13 . 1 1 92 92 ALA N N 92 129.685 129.685 126.433 3.252 17588 7580 1 13 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.435 -0.257 17588 7581 1 13 . 1 1 92 92 ALA C C 92 178.710 178.710 177.101 1.609 17588 7582 1 13 . 1 1 92 92 ALA CA C 92 53.583 53.583 51.489 2.095 17588 7583 1 13 . 1 1 92 92 ALA CB C 92 18.081 18.081 17.484 0.597 17588 7584 1 13 . 1 1 92 92 ALA H H 92 8.603 8.603 8.618 -0.015 17588 7585 1 13 . 1 1 93 93 GLY N N 93 109.919 109.919 108.066 1.853 17588 7586 1 13 . 1 1 93 93 GLY C C 93 176.310 176.310 174.010 2.300 17588 7587 1 13 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.028 0.477 17588 7588 1 13 . 1 1 93 93 GLY H H 93 8.823 8.823 7.863 0.960 17588 7589 1 13 . 1 1 94 94 LYS N N 94 120.949 120.949 122.488 -1.539 17588 7590 1 13 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.274 -0.482 17588 7591 1 13 . 1 1 94 94 LYS C C 94 177.630 177.630 176.214 1.416 17588 7592 1 13 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.296 3.310 17588 7593 1 13 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.263 -0.017 17588 7594 1 13 . 1 1 94 94 LYS H H 94 7.501 7.501 8.360 -0.859 17588 7595 1 13 . 1 1 95 95 TYR N N 95 113.034 113.034 117.984 -4.950 17588 7596 1 13 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.840 0.207 17588 7597 1 13 . 1 1 95 95 TYR C C 95 176.649 176.649 175.316 1.333 17588 7598 1 13 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.590 0.346 17588 7599 1 13 . 1 1 95 95 TYR CB C 95 39.000 39.000 38.463 0.537 17588 7600 1 13 . 1 1 95 95 TYR H H 95 8.670 8.670 8.199 0.471 17588 7601 1 13 . 1 1 96 96 ASP N N 96 123.097 123.097 122.007 1.090 17588 7602 1 13 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.542 -0.213 17588 7603 1 13 . 1 1 96 96 ASP C C 96 178.087 178.087 178.435 -0.348 17588 7604 1 13 . 1 1 96 96 ASP CA C 96 58.619 58.619 56.917 1.702 17588 7605 1 13 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.963 -1.393 17588 7606 1 13 . 1 1 96 96 ASP H H 96 7.756 7.756 8.551 -0.795 17588 7607 1 13 . 1 1 97 97 ARG N N 97 118.384 118.384 120.068 -1.684 17588 7608 1 13 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.216 0.046 17588 7609 1 13 . 1 1 97 97 ARG C C 97 179.927 179.927 178.355 1.572 17588 7610 1 13 . 1 1 97 97 ARG CA C 97 59.746 59.746 58.910 0.836 17588 7611 1 13 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.833 -0.039 17588 7612 1 13 . 1 1 97 97 ARG H H 97 8.897 8.897 8.592 0.305 17588 7613 1 13 . 1 1 98 98 VAL N N 98 119.642 119.642 118.854 0.788 17588 7614 1 13 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.057 -0.119 17588 7615 1 13 . 1 1 98 98 VAL C C 98 179.630 179.630 178.475 1.155 17588 7616 1 13 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.931 -0.127 17588 7617 1 13 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.567 0.487 17588 7618 1 13 . 1 1 98 98 VAL H H 98 7.578 7.578 7.862 -0.284 17588 7619 1 13 . 1 1 99 99 TYR N N 99 122.432 122.432 120.691 1.741 17588 7620 1 13 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.090 -0.156 17588 7621 1 13 . 1 1 99 99 TYR C C 99 176.400 176.400 177.818 -1.418 17588 7622 1 13 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.812 1.093 17588 7623 1 13 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.348 -0.026 17588 7624 1 13 . 1 1 99 99 TYR H H 99 8.635 8.635 8.266 0.369 17588 7625 1 13 . 1 1 100 100 ASN N N 100 117.211 117.211 118.085 -0.874 17588 7626 1 13 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.166 0.120 17588 7627 1 13 . 1 1 100 100 ASN C C 100 178.488 178.488 177.876 0.612 17588 7628 1 13 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.707 -0.851 17588 7629 1 13 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.526 0.323 17588 7630 1 13 . 1 1 100 100 ASN H H 100 9.024 9.024 8.379 0.645 17588 7631 1 13 . 1 1 101 101 GLY N N 101 105.413 105.413 108.005 -2.592 17588 7632 1 13 . 1 1 101 101 GLY C C 101 175.833 175.833 175.863 -0.030 17588 7633 1 13 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.166 -0.134 17588 7634 1 13 . 1 1 101 101 GLY H H 101 7.908 7.908 8.181 -0.273 17588 7635 1 13 . 1 1 102 102 TYR N N 102 126.373 126.373 122.631 3.742 17588 7636 1 13 . 1 1 102 102 TYR HA H 102 3.467 3.467 4.135 -0.668 17588 7637 1 13 . 1 1 102 102 TYR C C 102 176.016 176.016 177.648 -1.632 17588 7638 1 13 . 1 1 102 102 TYR CA C 102 59.553 59.553 59.953 -0.400 17588 7639 1 13 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.361 -0.471 17588 7640 1 13 . 1 1 102 102 TYR H H 102 7.581 7.581 7.613 -0.032 17588 7641 1 13 . 1 1 103 103 VAL N N 103 117.870 117.870 119.305 -1.435 17588 7642 1 13 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.289 -0.147 17588 7643 1 13 . 1 1 103 103 VAL C C 103 178.786 178.786 178.016 0.770 17588 7644 1 13 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.829 -0.252 17588 7645 1 13 . 1 1 103 103 VAL CB C 103 31.747 31.747 31.459 0.288 17588 7646 1 13 . 1 1 103 103 VAL H H 103 7.510 7.510 7.597 -0.087 17588 7647 1 13 . 1 1 104 104 ILE N N 104 116.770 116.770 118.236 -1.466 17588 7648 1 13 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.546 0.146 17588 7649 1 13 . 1 1 104 104 ILE C C 104 178.703 178.703 178.170 0.533 17588 7650 1 13 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.926 -1.089 17588 7651 1 13 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.472 0.460 17588 7652 1 13 . 1 1 104 104 ILE H H 104 7.056 7.056 7.273 -0.217 17588 7653 1 13 . 1 1 105 105 HIS N N 105 121.324 121.324 118.907 2.417 17588 7654 1 13 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.273 -0.321 17588 7655 1 13 . 1 1 105 105 HIS C C 105 176.974 176.974 178.274 -1.300 17588 7656 1 13 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.706 0.444 17588 7657 1 13 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.990 0.534 17588 7658 1 13 . 1 1 105 105 HIS H H 105 7.864 7.864 7.877 -0.013 17588 7659 1 13 . 1 1 106 106 LEU N N 106 115.126 115.126 120.222 -5.096 17588 7660 1 13 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.195 -0.360 17588 7661 1 13 . 1 1 106 106 LEU C C 106 177.315 177.315 178.185 -0.870 17588 7662 1 13 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.168 -1.461 17588 7663 1 13 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.776 0.265 17588 7664 1 13 . 1 1 106 106 LEU H H 106 7.517 7.517 8.363 -0.846 17588 7665 1 13 . 1 1 107 107 ASP N N 107 119.221 119.221 118.126 1.095 17588 7666 1 13 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.394 0.107 17588 7667 1 13 . 1 1 107 107 ASP C C 107 175.224 175.224 176.732 -1.508 17588 7668 1 13 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.455 -0.837 17588 7669 1 13 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.653 0.112 17588 7670 1 13 . 1 1 107 107 ASP H H 107 7.512 7.512 7.909 -0.397 17588 7671 1 14 . 1 1 6 6 SER HA H 6 4.480 4.480 5.370 -0.890 17588 7672 1 14 . 1 1 6 6 SER C C 6 174.995 174.995 173.922 1.073 17588 7673 1 14 . 1 1 6 6 SER CA C 6 58.675 58.675 57.310 1.365 17588 7674 1 14 . 1 1 6 6 SER CB C 6 63.822 63.822 64.653 -0.831 17588 7675 1 14 . 1 1 7 7 GLY N N 7 110.458 110.458 108.430 2.028 17588 7676 1 14 . 1 1 7 7 GLY C C 7 173.853 173.853 173.689 0.164 17588 7677 1 14 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.504 0.843 17588 7678 1 14 . 1 1 7 7 GLY H H 7 8.394 8.394 8.766 -0.372 17588 7679 1 14 . 1 1 8 8 ASN N N 8 119.020 119.020 117.391 1.629 17588 7680 1 14 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.812 -0.055 17588 7681 1 14 . 1 1 8 8 ASN C C 8 175.389 175.389 175.957 -0.568 17588 7682 1 14 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.616 0.615 17588 7683 1 14 . 1 1 8 8 ASN CB C 8 38.959 38.959 39.231 -0.272 17588 7684 1 14 . 1 1 8 8 ASN H H 8 8.308 8.308 8.347 -0.039 17588 7685 1 14 . 1 1 9 9 VAL N N 9 120.281 120.281 121.925 -1.644 17588 7686 1 14 . 1 1 9 9 VAL HA H 9 4.115 4.115 3.815 0.300 17588 7687 1 14 . 1 1 9 9 VAL C C 9 175.980 175.980 175.331 0.649 17588 7688 1 14 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.484 -0.016 17588 7689 1 14 . 1 1 9 9 VAL CB C 9 32.712 32.712 32.719 -0.007 17588 7690 1 14 . 1 1 9 9 VAL H H 9 8.173 8.173 7.829 0.344 17588 7691 1 14 . 1 1 10 10 ASP N N 10 123.840 123.840 126.017 -2.177 17588 7692 1 14 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.698 -0.074 17588 7693 1 14 . 1 1 10 10 ASP C C 10 176.599 176.599 175.442 1.157 17588 7694 1 14 . 1 1 10 10 ASP CA C 10 54.390 54.390 54.380 0.010 17588 7695 1 14 . 1 1 10 10 ASP CB C 10 41.343 41.343 41.732 -0.389 17588 7696 1 14 . 1 1 10 10 ASP H H 10 8.418 8.418 8.256 0.162 17588 7697 1 14 . 1 1 11 11 SER N N 11 117.003 117.003 114.671 2.332 17588 7698 1 14 . 1 1 11 11 SER HA H 11 4.395 4.395 4.635 -0.240 17588 7699 1 14 . 1 1 11 11 SER C C 11 174.834 174.834 172.826 2.008 17588 7700 1 14 . 1 1 11 11 SER CA C 11 58.886 58.886 57.221 1.665 17588 7701 1 14 . 1 1 11 11 SER CB C 11 63.740 63.740 64.792 -1.052 17588 7702 1 14 . 1 1 11 11 SER H H 11 8.312 8.312 8.307 0.005 17588 7703 1 14 . 1 1 12 12 ASN N N 12 120.512 120.512 119.601 0.911 17588 7704 1 14 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.620 0.065 17588 7705 1 14 . 1 1 12 12 ASN C C 12 175.646 175.646 174.348 1.298 17588 7706 1 14 . 1 1 12 12 ASN CA C 12 53.793 53.793 54.014 -0.222 17588 7707 1 14 . 1 1 12 12 ASN CB C 12 38.630 38.630 38.798 -0.168 17588 7708 1 14 . 1 1 12 12 ASN H H 12 8.511 8.511 8.519 -0.008 17588 7709 1 14 . 1 1 13 13 GLN N N 13 120.057 120.057 118.511 1.546 17588 7710 1 14 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.430 -0.192 17588 7711 1 14 . 1 1 13 13 GLN C C 13 175.988 175.988 174.626 1.362 17588 7712 1 14 . 1 1 13 13 GLN CA C 13 56.447 56.447 54.964 1.483 17588 7713 1 14 . 1 1 13 13 GLN CB C 13 29.137 29.137 31.252 -2.115 17588 7714 1 14 . 1 1 13 13 GLN H H 13 8.258 8.258 8.319 -0.061 17588 7715 1 14 . 1 1 14 14 ASN N N 14 119.323 119.323 118.849 0.474 17588 7716 1 14 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.903 -0.218 17588 7717 1 14 . 1 1 14 14 ASN C C 14 175.552 175.552 174.038 1.514 17588 7718 1 14 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.757 0.808 17588 7719 1 14 . 1 1 14 14 ASN CB C 14 38.763 38.763 39.360 -0.597 17588 7720 1 14 . 1 1 14 14 ASN H H 14 8.377 8.377 8.468 -0.091 17588 7721 1 14 . 1 1 15 15 LYS N N 15 121.938 121.938 119.649 2.289 17588 7722 1 14 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.562 -0.348 17588 7723 1 14 . 1 1 15 15 LYS C C 15 176.933 176.933 175.232 1.701 17588 7724 1 14 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.585 1.650 17588 7725 1 14 . 1 1 15 15 LYS CB C 15 32.753 32.753 34.383 -1.630 17588 7726 1 14 . 1 1 15 15 LYS H H 15 8.224 8.224 8.413 -0.189 17588 7727 1 14 . 1 1 16 16 ALA N N 16 123.956 123.956 124.476 -0.520 17588 7728 1 14 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.560 -0.286 17588 7729 1 14 . 1 1 16 16 ALA C C 16 178.593 178.593 177.278 1.315 17588 7730 1 14 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.614 1.828 17588 7731 1 14 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.341 -1.478 17588 7732 1 14 . 1 1 16 16 ALA H H 16 8.292 8.292 8.323 -0.031 17588 7733 1 14 . 1 1 17 17 SER N N 17 114.462 114.462 116.255 -1.793 17588 7734 1 14 . 1 1 17 17 SER HA H 17 4.365 4.365 4.463 -0.098 17588 7735 1 14 . 1 1 17 17 SER C C 17 175.370 175.370 174.185 1.185 17588 7736 1 14 . 1 1 17 17 SER CA C 17 59.077 59.077 58.324 0.753 17588 7737 1 14 . 1 1 17 17 SER CB C 17 63.383 63.383 63.300 0.083 17588 7738 1 14 . 1 1 17 17 SER H H 17 8.200 8.200 8.643 -0.443 17588 7739 1 14 . 1 1 18 18 MET N N 18 121.999 121.999 121.311 0.688 17588 7740 1 14 . 1 1 18 18 MET HA H 18 4.429 4.429 4.525 -0.096 17588 7741 1 14 . 1 1 18 18 MET C C 18 176.829 176.829 174.888 1.941 17588 7742 1 14 . 1 1 18 18 MET CA C 18 56.357 56.357 54.825 1.532 17588 7743 1 14 . 1 1 18 18 MET CB C 18 32.630 32.630 31.223 1.407 17588 7744 1 14 . 1 1 18 18 MET H H 18 8.214 8.214 7.804 0.410 17588 7745 1 14 . 1 1 19 19 LEU N N 19 122.083 122.083 124.362 -2.279 17588 7746 1 14 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.495 -0.239 17588 7747 1 14 . 1 1 19 19 LEU C C 19 177.774 177.774 175.111 2.663 17588 7748 1 14 . 1 1 19 19 LEU CA C 19 56.111 56.111 55.039 1.072 17588 7749 1 14 . 1 1 19 19 LEU CB C 19 42.041 42.041 45.719 -3.678 17588 7750 1 14 . 1 1 19 19 LEU H H 19 8.076 8.076 7.809 0.267 17588 7751 1 14 . 1 1 20 20 GLN N N 20 120.123 120.123 116.613 3.510 17588 7752 1 14 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.071 0.136 17588 7753 1 14 . 1 1 20 20 GLN C C 20 176.166 176.166 174.321 1.845 17588 7754 1 14 . 1 1 20 20 GLN CA C 20 56.409 56.409 56.534 -0.125 17588 7755 1 14 . 1 1 20 20 GLN CB C 20 29.196 29.196 27.316 1.880 17588 7756 1 14 . 1 1 20 20 GLN H H 20 8.174 8.174 8.420 -0.246 17588 7757 1 14 . 1 1 21 21 ALA N N 21 124.216 124.216 123.360 0.856 17588 7758 1 14 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.580 -0.326 17588 7759 1 14 . 1 1 21 21 ALA C C 21 178.034 178.034 176.489 1.545 17588 7760 1 14 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.750 1.376 17588 7761 1 14 . 1 1 21 21 ALA CB C 21 19.071 19.071 18.799 0.272 17588 7762 1 14 . 1 1 21 21 ALA H H 21 8.151 8.151 8.266 -0.115 17588 7763 1 14 . 1 1 22 22 ARG N N 22 119.591 119.591 121.705 -2.114 17588 7764 1 14 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.757 -0.449 17588 7765 1 14 . 1 1 22 22 ARG C C 22 176.750 176.750 174.816 1.934 17588 7766 1 14 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.726 0.701 17588 7767 1 14 . 1 1 22 22 ARG CB C 22 30.616 30.616 32.456 -1.840 17588 7768 1 14 . 1 1 22 22 ARG H H 22 8.147 8.147 8.601 -0.454 17588 7769 1 14 . 1 1 23 23 LEU N N 23 122.553 122.553 121.137 1.416 17588 7770 1 14 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.813 -0.539 17588 7771 1 14 . 1 1 23 23 LEU C C 23 177.547 177.547 175.281 2.266 17588 7772 1 14 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.100 1.590 17588 7773 1 14 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.968 -1.886 17588 7774 1 14 . 1 1 23 23 LEU H H 23 8.220 8.220 8.398 -0.178 17588 7775 1 14 . 1 1 24 24 ASN N N 24 118.666 118.666 120.119 -1.453 17588 7776 1 14 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.949 -0.276 17588 7777 1 14 . 1 1 24 24 ASN C C 24 175.246 175.246 175.127 0.119 17588 7778 1 14 . 1 1 24 24 ASN CA C 24 53.565 53.565 53.248 0.317 17588 7779 1 14 . 1 1 24 24 ASN CB C 24 38.836 38.836 39.762 -0.926 17588 7780 1 14 . 1 1 24 24 ASN H H 24 8.351 8.351 8.419 -0.068 17588 7781 1 14 . 1 1 25 25 ASP N N 25 120.897 120.897 122.556 -1.659 17588 7782 1 14 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.489 0.087 17588 7783 1 14 . 1 1 25 25 ASP C C 25 176.732 176.732 175.948 0.784 17588 7784 1 14 . 1 1 25 25 ASP CA C 25 54.706 54.706 55.923 -1.217 17588 7785 1 14 . 1 1 25 25 ASP CB C 25 41.219 41.219 41.092 0.127 17588 7786 1 14 . 1 1 25 25 ASP H H 25 8.234 8.234 8.697 -0.463 17588 7787 1 14 . 1 1 26 26 GLU N N 26 121.168 121.168 119.289 1.879 17588 7788 1 14 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.367 -0.153 17588 7789 1 14 . 1 1 26 26 GLU C C 26 176.857 176.857 174.559 2.298 17588 7790 1 14 . 1 1 26 26 GLU CA C 26 57.247 57.247 56.586 0.661 17588 7791 1 14 . 1 1 26 26 GLU CB C 26 29.959 29.959 31.034 -1.075 17588 7792 1 14 . 1 1 26 26 GLU H H 26 8.368 8.368 7.812 0.556 17588 7793 1 14 . 1 1 27 27 ALA N N 27 124.100 124.100 126.517 -2.417 17588 7794 1 14 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.860 -0.543 17588 7795 1 14 . 1 1 27 27 ALA C C 27 178.520 178.520 176.491 2.029 17588 7796 1 14 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.153 0.833 17588 7797 1 14 . 1 1 27 27 ALA CB C 27 18.945 18.945 20.056 -1.111 17588 7798 1 14 . 1 1 27 27 ALA H H 27 8.289 8.289 8.568 -0.279 17588 7799 1 14 . 1 1 28 28 GLY N N 28 107.844 107.844 109.356 -1.512 17588 7800 1 14 . 1 1 28 28 GLY C C 28 175.019 175.019 173.308 1.711 17588 7801 1 14 . 1 1 28 28 GLY CA C 28 45.628 45.628 44.677 0.951 17588 7802 1 14 . 1 1 28 28 GLY H H 28 8.315 8.315 8.298 0.017 17588 7803 1 14 . 1 1 29 29 GLY N N 29 108.754 108.754 107.443 1.311 17588 7804 1 14 . 1 1 29 29 GLY C C 29 174.659 174.659 173.146 1.513 17588 7805 1 14 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.885 -0.398 17588 7806 1 14 . 1 1 29 29 GLY H H 29 8.266 8.266 9.375 -1.109 17588 7807 1 14 . 1 1 30 30 THR N N 30 114.068 114.068 114.226 -0.158 17588 7808 1 14 . 1 1 30 30 THR HA H 30 4.301 4.301 4.539 -0.238 17588 7809 1 14 . 1 1 30 30 THR C C 30 174.789 174.789 173.403 1.386 17588 7810 1 14 . 1 1 30 30 THR CA C 30 62.327 62.327 61.706 0.620 17588 7811 1 14 . 1 1 30 30 THR CB C 30 69.553 69.553 70.133 -0.580 17588 7812 1 14 . 1 1 30 30 THR H H 30 8.111 8.111 8.049 0.062 17588 7813 1 14 . 1 1 31 31 ARG N N 31 123.536 123.536 122.766 0.770 17588 7814 1 14 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.892 -0.593 17588 7815 1 14 . 1 1 31 31 ARG C C 31 176.125 176.125 174.879 1.246 17588 7816 1 14 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.671 0.791 17588 7817 1 14 . 1 1 31 31 ARG CB C 31 30.657 30.657 31.118 -0.461 17588 7818 1 14 . 1 1 31 31 ARG H H 31 8.343 8.343 8.477 -0.134 17588 7819 1 14 . 1 1 32 32 LEU N N 32 122.865 122.865 123.344 -0.479 17588 7820 1 14 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.588 -0.269 17588 7821 1 14 . 1 1 32 32 LEU C C 32 177.036 177.036 175.751 1.285 17588 7822 1 14 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.071 1.162 17588 7823 1 14 . 1 1 32 32 LEU CB C 32 42.264 42.264 44.157 -1.893 17588 7824 1 14 . 1 1 32 32 LEU H H 32 8.203 8.203 8.085 0.118 17588 7825 1 14 . 1 1 33 33 LEU N N 33 123.054 123.054 121.956 1.098 17588 7826 1 14 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.876 -0.540 17588 7827 1 14 . 1 1 33 33 LEU C C 33 177.022 177.022 176.437 0.585 17588 7828 1 14 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.343 0.726 17588 7829 1 14 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.643 -0.355 17588 7830 1 14 . 1 1 33 33 LEU H H 33 8.150 8.150 8.380 -0.230 17588 7831 1 14 . 1 1 34 34 ARG N N 34 122.226 122.226 123.109 -0.883 17588 7832 1 14 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.318 0.019 17588 7833 1 14 . 1 1 34 34 ARG C C 34 175.950 175.950 175.096 0.854 17588 7834 1 14 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.776 0.142 17588 7835 1 14 . 1 1 34 34 ARG CB C 34 30.781 30.781 31.120 -0.339 17588 7836 1 14 . 1 1 34 34 ARG H H 34 8.248 8.248 8.322 -0.074 17588 7837 1 14 . 1 1 35 35 VAL N N 35 121.294 121.294 121.906 -0.612 17588 7838 1 14 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.297 -0.256 17588 7839 1 14 . 1 1 35 35 VAL C C 35 175.709 175.709 175.024 0.685 17588 7840 1 14 . 1 1 35 35 VAL CA C 35 62.240 62.240 62.575 -0.335 17588 7841 1 14 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.539 0.214 17588 7842 1 14 . 1 1 35 35 VAL H H 35 8.107 8.107 8.275 -0.168 17588 7843 1 14 . 1 1 36 36 HIS N N 36 123.522 123.522 118.765 4.757 17588 7844 1 14 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.416 0.182 17588 7845 1 14 . 1 1 36 36 HIS C C 36 174.825 174.825 174.562 0.263 17588 7846 1 14 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.441 -0.331 17588 7847 1 14 . 1 1 36 36 HIS CB C 36 30.944 30.944 28.793 2.151 17588 7848 1 14 . 1 1 36 36 HIS H H 36 8.410 8.410 8.122 0.288 17588 7849 1 14 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.463 0.137 17588 7850 1 14 . 1 1 37 37 HIS C C 37 175.173 175.173 175.420 -0.247 17588 7851 1 14 . 1 1 37 37 HIS CA C 37 56.217 56.217 56.708 -0.491 17588 7852 1 14 . 1 1 37 37 HIS CB C 37 31.027 31.027 31.213 -0.186 17588 7853 1 14 . 1 1 38 38 GLU N N 38 122.826 122.826 120.070 2.756 17588 7854 1 14 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.443 -0.188 17588 7855 1 14 . 1 1 38 38 GLU C C 38 176.483 176.483 175.273 1.210 17588 7856 1 14 . 1 1 38 38 GLU CA C 38 56.919 56.919 56.269 0.650 17588 7857 1 14 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.632 -0.304 17588 7858 1 14 . 1 1 38 38 GLU H H 38 8.569 8.569 8.308 0.261 17588 7859 1 14 . 1 1 39 39 SER N N 39 116.398 116.398 114.185 2.213 17588 7860 1 14 . 1 1 39 39 SER HA H 39 4.454 4.454 3.838 0.616 17588 7861 1 14 . 1 1 39 39 SER C C 39 174.497 174.497 174.210 0.287 17588 7862 1 14 . 1 1 39 39 SER CA C 39 58.552 58.552 58.081 0.471 17588 7863 1 14 . 1 1 39 39 SER CB C 39 64.028 64.028 62.510 1.518 17588 7864 1 14 . 1 1 39 39 SER H H 39 8.444 8.444 7.650 0.794 17588 7865 1 14 . 1 1 40 40 ASP N N 40 122.831 122.831 119.014 3.817 17588 7866 1 14 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.324 0.348 17588 7867 1 14 . 1 1 40 40 ASP C C 40 176.783 176.783 176.998 -0.215 17588 7868 1 14 . 1 1 40 40 ASP CA C 40 54.759 54.759 56.600 -1.841 17588 7869 1 14 . 1 1 40 40 ASP CB C 40 41.014 41.014 40.963 0.051 17588 7870 1 14 . 1 1 40 40 ASP H H 40 8.469 8.469 8.498 -0.029 17588 7871 1 14 . 1 1 41 41 THR N N 41 113.679 113.679 113.739 -0.060 17588 7872 1 14 . 1 1 41 41 THR HA H 41 4.181 4.181 4.389 -0.208 17588 7873 1 14 . 1 1 41 41 THR C C 41 175.314 175.314 174.219 1.095 17588 7874 1 14 . 1 1 41 41 THR CA C 41 62.819 62.819 60.912 1.907 17588 7875 1 14 . 1 1 41 41 THR CB C 41 69.576 69.576 67.855 1.722 17588 7876 1 14 . 1 1 41 41 THR H H 41 8.066 8.066 7.732 0.334 17588 7877 1 14 . 1 1 42 42 GLU N N 42 122.776 122.776 126.674 -3.898 17588 7878 1 14 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.154 0.054 17588 7879 1 14 . 1 1 42 42 GLU C C 42 177.129 177.129 176.656 0.473 17588 7880 1 14 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.679 0.643 17588 7881 1 14 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.199 -0.199 17588 7882 1 14 . 1 1 42 42 GLU H H 42 8.343 8.343 8.252 0.091 17588 7883 1 14 . 1 1 43 43 GLU N N 43 121.898 121.898 120.467 1.431 17588 7884 1 14 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.424 -0.213 17588 7885 1 14 . 1 1 43 43 GLU C C 43 177.313 177.313 178.586 -1.273 17588 7886 1 14 . 1 1 43 43 GLU CA C 43 57.453 57.453 57.680 -0.227 17588 7887 1 14 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.883 0.076 17588 7888 1 14 . 1 1 43 43 GLU H H 43 8.397 8.397 8.816 -0.419 17588 7889 1 14 . 1 1 44 44 ARG N N 44 121.336 121.336 119.910 1.426 17588 7890 1 14 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.102 0.124 17588 7891 1 14 . 1 1 44 44 ARG C C 44 178.048 178.048 178.700 -0.652 17588 7892 1 14 . 1 1 44 44 ARG CA C 44 57.779 57.779 59.300 -1.522 17588 7893 1 14 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.549 0.817 17588 7894 1 14 . 1 1 44 44 ARG H H 44 8.401 8.401 8.684 -0.283 17588 7895 1 14 . 1 1 45 45 GLY N N 45 109.098 109.098 105.370 3.728 17588 7896 1 14 . 1 1 45 45 GLY C C 45 175.522 175.522 175.618 -0.096 17588 7897 1 14 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.989 0.411 17588 7898 1 14 . 1 1 45 45 GLY H H 45 8.536 8.536 8.134 0.402 17588 7899 1 14 . 1 1 46 46 PHE N N 46 121.592 121.592 123.543 -1.951 17588 7900 1 14 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.083 0.334 17588 7901 1 14 . 1 1 46 46 PHE C C 46 177.561 177.561 176.907 0.654 17588 7902 1 14 . 1 1 46 46 PHE CA C 46 60.080 60.080 60.685 -0.605 17588 7903 1 14 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.063 -0.152 17588 7904 1 14 . 1 1 46 46 PHE H H 46 8.071 8.071 7.597 0.474 17588 7905 1 14 . 1 1 47 47 LEU N N 47 121.344 121.344 118.569 2.775 17588 7906 1 14 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.364 0.678 17588 7907 1 14 . 1 1 47 47 LEU C C 47 179.621 179.621 178.389 1.232 17588 7908 1 14 . 1 1 47 47 LEU CA C 47 57.460 57.460 58.017 -0.557 17588 7909 1 14 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.487 0.150 17588 7910 1 14 . 1 1 47 47 LEU H H 47 8.215 8.215 8.538 -0.323 17588 7911 1 14 . 1 1 48 48 GLU N N 48 121.986 121.986 119.830 2.156 17588 7912 1 14 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.669 0.319 17588 7913 1 14 . 1 1 48 48 GLU C C 48 177.573 177.573 178.243 -0.670 17588 7914 1 14 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.380 -0.073 17588 7915 1 14 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.235 0.413 17588 7916 1 14 . 1 1 48 48 GLU H H 48 8.225 8.225 7.655 0.570 17588 7917 1 14 . 1 1 49 49 LYS N N 49 118.759 118.759 118.418 0.341 17588 7918 1 14 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.281 -0.038 17588 7919 1 14 . 1 1 49 49 LYS C C 49 177.659 177.659 178.614 -0.955 17588 7920 1 14 . 1 1 49 49 LYS CA C 49 59.886 59.886 58.603 1.283 17588 7921 1 14 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.282 0.020 17588 7922 1 14 . 1 1 49 49 LYS H H 49 7.790 7.790 7.847 -0.057 17588 7923 1 14 . 1 1 50 50 ALA N N 50 120.023 120.023 121.350 -1.327 17588 7924 1 14 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.858 0.101 17588 7925 1 14 . 1 1 50 50 ALA C C 50 180.486 180.486 179.171 1.315 17588 7926 1 14 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.592 0.290 17588 7927 1 14 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.704 0.173 17588 7928 1 14 . 1 1 50 50 ALA H H 50 7.798 7.798 7.552 0.246 17588 7929 1 14 . 1 1 51 51 ALA N N 51 121.955 121.955 121.813 0.142 17588 7930 1 14 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.816 0.297 17588 7931 1 14 . 1 1 51 51 ALA C C 51 180.762 180.762 179.614 1.148 17588 7932 1 14 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.205 -0.094 17588 7933 1 14 . 1 1 51 51 ALA CB C 51 18.041 18.041 17.926 0.115 17588 7934 1 14 . 1 1 51 51 ALA H H 51 7.809 7.809 8.190 -0.381 17588 7935 1 14 . 1 1 52 52 VAL N N 52 120.415 120.415 117.226 3.189 17588 7936 1 14 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.667 -0.017 17588 7937 1 14 . 1 1 52 52 VAL C C 52 178.567 178.567 178.282 0.285 17588 7938 1 14 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.673 0.554 17588 7939 1 14 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.291 0.820 17588 7940 1 14 . 1 1 52 52 VAL H H 52 7.944 7.944 7.501 0.443 17588 7941 1 14 . 1 1 53 53 LYS N N 53 119.231 119.231 118.677 0.554 17588 7942 1 14 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.827 -0.263 17588 7943 1 14 . 1 1 53 53 LYS C C 53 178.546 178.546 178.979 -0.433 17588 7944 1 14 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.189 1.531 17588 7945 1 14 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.650 0.601 17588 7946 1 14 . 1 1 53 53 LYS H H 53 8.132 8.132 7.523 0.609 17588 7947 1 14 . 1 1 54 54 LYS N N 54 119.514 119.514 120.621 -1.107 17588 7948 1 14 . 1 1 54 54 LYS HA H 54 3.993 3.993 4.075 -0.082 17588 7949 1 14 . 1 1 54 54 LYS C C 54 179.987 179.987 178.932 1.055 17588 7950 1 14 . 1 1 54 54 LYS CA C 54 60.237 60.237 58.942 1.295 17588 7951 1 14 . 1 1 54 54 LYS CB C 54 32.483 32.483 31.911 0.572 17588 7952 1 14 . 1 1 54 54 LYS H H 54 7.956 7.956 8.068 -0.112 17588 7953 1 14 . 1 1 55 55 MET N N 55 119.732 119.732 117.784 1.948 17588 7954 1 14 . 1 1 55 55 MET HA H 55 4.251 4.251 4.003 0.248 17588 7955 1 14 . 1 1 55 55 MET C C 55 177.536 177.536 178.461 -0.925 17588 7956 1 14 . 1 1 55 55 MET CA C 55 58.396 58.396 59.088 -0.692 17588 7957 1 14 . 1 1 55 55 MET CB C 55 34.228 34.228 32.320 1.908 17588 7958 1 14 . 1 1 55 55 MET H H 55 7.816 7.816 8.268 -0.452 17588 7959 1 14 . 1 1 56 56 ALA N N 56 122.295 122.295 122.746 -0.451 17588 7960 1 14 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.208 -0.056 17588 7961 1 14 . 1 1 56 56 ALA C C 56 179.615 179.615 179.371 0.244 17588 7962 1 14 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.241 0.097 17588 7963 1 14 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.266 0.840 17588 7964 1 14 . 1 1 56 56 ALA H H 56 8.724 8.724 8.585 0.139 17588 7965 1 14 . 1 1 57 57 LYS N N 57 117.704 117.704 119.308 -1.604 17588 7966 1 14 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.027 0.057 17588 7967 1 14 . 1 1 57 57 LYS C C 57 179.358 179.358 179.001 0.357 17588 7968 1 14 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.713 0.261 17588 7969 1 14 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.408 0.093 17588 7970 1 14 . 1 1 57 57 LYS H H 57 8.444 8.444 8.178 0.266 17588 7971 1 14 . 1 1 58 58 ALA N N 58 122.736 122.736 120.934 1.802 17588 7972 1 14 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.099 0.072 17588 7973 1 14 . 1 1 58 58 ALA C C 58 180.708 180.708 179.354 1.354 17588 7974 1 14 . 1 1 58 58 ALA CA C 58 55.111 55.111 54.825 0.285 17588 7975 1 14 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.246 -0.698 17588 7976 1 14 . 1 1 58 58 ALA H H 58 7.701 7.701 7.700 0.001 17588 7977 1 14 . 1 1 59 59 ILE N N 59 117.672 117.672 119.319 -1.647 17588 7978 1 14 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.981 -0.308 17588 7979 1 14 . 1 1 59 59 ILE C C 59 177.728 177.728 178.152 -0.424 17588 7980 1 14 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.541 -0.563 17588 7981 1 14 . 1 1 59 59 ILE CB C 59 37.813 37.813 38.064 -0.251 17588 7982 1 14 . 1 1 59 59 ILE H H 59 7.547 7.547 7.631 -0.084 17588 7983 1 14 . 1 1 60 60 MET N N 60 117.653 117.653 115.079 2.574 17588 7984 1 14 . 1 1 60 60 MET HA H 60 4.098 4.098 4.124 -0.026 17588 7985 1 14 . 1 1 60 60 MET C C 60 178.085 178.085 177.188 0.897 17588 7986 1 14 . 1 1 60 60 MET CA C 60 58.060 58.060 57.941 0.119 17588 7987 1 14 . 1 1 60 60 MET CB C 60 32.178 32.178 31.888 0.290 17588 7988 1 14 . 1 1 60 60 MET H H 60 7.718 7.718 7.996 -0.278 17588 7989 1 14 . 1 1 61 61 ALA N N 61 118.874 118.874 120.391 -1.517 17588 7990 1 14 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.388 -0.114 17588 7991 1 14 . 1 1 61 61 ALA C C 61 177.758 177.758 177.872 -0.114 17588 7992 1 14 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.458 0.984 17588 7993 1 14 . 1 1 61 61 ALA CB C 61 19.068 19.068 20.083 -1.015 17588 7994 1 14 . 1 1 61 61 ALA H H 61 7.513 7.513 7.309 0.204 17588 7995 1 14 . 1 1 62 62 ASP N N 62 115.735 115.735 118.967 -3.232 17588 7996 1 14 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.008 -0.075 17588 7997 1 14 . 1 1 62 62 ASP C C 62 172.960 172.960 174.712 -1.752 17588 7998 1 14 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.659 -0.535 17588 7999 1 14 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.798 -0.414 17588 8000 1 14 . 1 1 62 62 ASP H H 62 7.615 7.615 7.818 -0.203 17588 8001 1 14 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.382 0.064 17588 8002 1 14 . 1 1 63 63 PRO C C 63 179.157 179.157 178.158 0.999 17588 8003 1 14 . 1 1 63 63 PRO CA C 63 64.399 64.399 65.122 -0.723 17588 8004 1 14 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.341 -0.081 17588 8005 1 14 . 1 1 64 64 ASN N N 64 115.566 115.566 116.630 -1.064 17588 8006 1 14 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.473 0.079 17588 8007 1 14 . 1 1 64 64 ASN C C 64 176.867 176.867 176.789 0.078 17588 8008 1 14 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.804 -0.483 17588 8009 1 14 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.787 0.114 17588 8010 1 14 . 1 1 64 64 ASN H H 64 8.094 8.094 8.677 -0.583 17588 8011 1 14 . 1 1 65 65 LYS N N 65 118.691 118.691 119.533 -0.842 17588 8012 1 14 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.458 -0.280 17588 8013 1 14 . 1 1 65 65 LYS C C 65 175.844 175.844 177.770 -1.926 17588 8014 1 14 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.135 -1.901 17588 8015 1 14 . 1 1 65 65 LYS CB C 65 32.877 32.877 32.267 0.610 17588 8016 1 14 . 1 1 65 65 LYS H H 65 8.185 8.185 7.363 0.822 17588 8017 1 14 . 1 1 66 66 ALA N N 66 120.147 120.147 123.306 -3.159 17588 8018 1 14 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.387 -0.345 17588 8019 1 14 . 1 1 66 66 ALA C C 66 176.697 176.697 178.780 -2.083 17588 8020 1 14 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.149 0.663 17588 8021 1 14 . 1 1 66 66 ALA CB C 66 18.234 18.234 18.340 -0.106 17588 8022 1 14 . 1 1 66 66 ALA H H 66 7.233 7.233 7.751 -0.518 17588 8023 1 14 . 1 1 67 67 ASP N N 67 114.524 114.524 118.733 -4.209 17588 8024 1 14 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.431 -0.258 17588 8025 1 14 . 1 1 67 67 ASP C C 67 178.071 178.071 178.640 -0.569 17588 8026 1 14 . 1 1 67 67 ASP CA C 67 58.368 58.368 58.086 0.282 17588 8027 1 14 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.616 0.028 17588 8028 1 14 . 1 1 67 67 ASP H H 67 8.114 8.114 7.801 0.313 17588 8029 1 14 . 1 1 68 68 GLU N N 68 117.486 117.486 119.353 -1.867 17588 8030 1 14 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.925 -0.032 17588 8031 1 14 . 1 1 68 68 GLU C C 68 178.885 178.885 178.864 0.021 17588 8032 1 14 . 1 1 68 68 GLU CA C 68 58.745 58.745 59.001 -0.256 17588 8033 1 14 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.161 0.500 17588 8034 1 14 . 1 1 68 68 GLU H H 68 7.846 7.846 7.444 0.402 17588 8035 1 14 . 1 1 69 69 VAL N N 69 120.957 120.957 121.478 -0.521 17588 8036 1 14 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.057 -0.011 17588 8037 1 14 . 1 1 69 69 VAL C C 69 176.618 176.618 178.084 -1.466 17588 8038 1 14 . 1 1 69 69 VAL CA C 69 66.453 66.453 66.407 0.046 17588 8039 1 14 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.821 0.218 17588 8040 1 14 . 1 1 69 69 VAL H H 69 7.325 7.325 7.505 -0.180 17588 8041 1 14 . 1 1 70 70 TYR N N 70 117.638 117.638 116.095 1.543 17588 8042 1 14 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.045 0.130 17588 8043 1 14 . 1 1 70 70 TYR C C 70 178.493 178.493 177.860 0.633 17588 8044 1 14 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.739 -3.258 17588 8045 1 14 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.852 -2.989 17588 8046 1 14 . 1 1 70 70 TYR H H 70 8.483 8.483 7.961 0.522 17588 8047 1 14 . 1 1 71 71 LYS N N 71 117.283 117.283 118.152 -0.869 17588 8048 1 14 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.142 0.072 17588 8049 1 14 . 1 1 71 71 LYS C C 71 178.790 178.790 179.076 -0.286 17588 8050 1 14 . 1 1 71 71 LYS CA C 71 59.793 59.793 58.765 1.028 17588 8051 1 14 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.604 -0.097 17588 8052 1 14 . 1 1 71 71 LYS H H 71 7.754 7.754 7.447 0.307 17588 8053 1 14 . 1 1 72 72 LYS N N 72 120.053 120.053 120.267 -0.214 17588 8054 1 14 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.939 0.202 17588 8055 1 14 . 1 1 72 72 LYS C C 72 180.399 180.399 178.838 1.561 17588 8056 1 14 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.645 0.083 17588 8057 1 14 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.127 -0.113 17588 8058 1 14 . 1 1 72 72 LYS H H 72 7.386 7.386 7.882 -0.496 17588 8059 1 14 . 1 1 73 73 TRP N N 73 121.910 121.910 119.859 2.051 17588 8060 1 14 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.395 0.118 17588 8061 1 14 . 1 1 73 73 TRP C C 73 177.981 177.981 178.951 -0.970 17588 8062 1 14 . 1 1 73 73 TRP CA C 73 57.915 57.915 60.576 -2.661 17588 8063 1 14 . 1 1 73 73 TRP CB C 73 29.562 29.562 27.949 1.613 17588 8064 1 14 . 1 1 73 73 TRP H H 73 8.659 8.659 8.190 0.469 17588 8065 1 14 . 1 1 74 74 ALA N N 74 123.471 123.471 120.076 3.395 17588 8066 1 14 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.221 0.271 17588 8067 1 14 . 1 1 74 74 ALA C C 74 182.881 182.881 179.527 3.354 17588 8068 1 14 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.234 0.115 17588 8069 1 14 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.456 -0.064 17588 8070 1 14 . 1 1 74 74 ALA H H 74 9.137 9.137 7.994 1.143 17588 8071 1 14 . 1 1 75 75 ASP N N 75 121.896 121.896 117.503 4.393 17588 8072 1 14 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.404 0.060 17588 8073 1 14 . 1 1 75 75 ASP C C 75 178.714 178.714 178.393 0.321 17588 8074 1 14 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.817 0.277 17588 8075 1 14 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.597 -0.012 17588 8076 1 14 . 1 1 75 75 ASP H H 75 8.804 8.804 7.626 1.178 17588 8077 1 14 . 1 1 76 76 LYS N N 76 118.966 118.966 117.670 1.296 17588 8078 1 14 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.046 -0.017 17588 8079 1 14 . 1 1 76 76 LYS C C 76 176.868 176.868 177.838 -0.970 17588 8080 1 14 . 1 1 76 76 LYS CA C 76 56.497 56.497 57.124 -0.627 17588 8081 1 14 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.782 -1.097 17588 8082 1 14 . 1 1 76 76 LYS H H 76 7.630 7.630 8.095 -0.466 17588 8083 1 14 . 1 1 77 77 GLY N N 77 107.310 107.310 104.691 2.619 17588 8084 1 14 . 1 1 77 77 GLY C C 77 175.407 175.407 173.971 1.436 17588 8085 1 14 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.702 0.487 17588 8086 1 14 . 1 1 77 77 GLY H H 77 7.901 7.901 7.706 0.195 17588 8087 1 14 . 1 1 78 78 TYR N N 78 117.917 117.917 120.344 -2.427 17588 8088 1 14 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.898 0.394 17588 8089 1 14 . 1 1 78 78 TYR C C 78 178.422 178.422 175.432 2.990 17588 8090 1 14 . 1 1 78 78 TYR CA C 78 55.545 55.545 56.081 -0.536 17588 8091 1 14 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.305 -3.524 17588 8092 1 14 . 1 1 78 78 TYR H H 78 7.506 7.506 7.451 0.055 17588 8093 1 14 . 1 1 79 79 THR N N 79 119.420 119.420 112.764 6.656 17588 8094 1 14 . 1 1 79 79 THR HA H 79 4.518 4.518 4.785 -0.267 17588 8095 1 14 . 1 1 79 79 THR C C 79 175.648 175.648 175.153 0.495 17588 8096 1 14 . 1 1 79 79 THR CA C 79 60.027 60.027 59.868 0.159 17588 8097 1 14 . 1 1 79 79 THR CB C 79 71.622 71.622 70.676 0.946 17588 8098 1 14 . 1 1 79 79 THR H H 79 8.957 8.957 8.377 0.580 17588 8099 1 14 . 1 1 80 80 LEU N N 80 119.655 119.655 123.677 -4.022 17588 8100 1 14 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.093 0.087 17588 8101 1 14 . 1 1 80 80 LEU C C 80 180.085 180.085 178.770 1.315 17588 8102 1 14 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.680 0.233 17588 8103 1 14 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.964 -2.311 17588 8104 1 14 . 1 1 80 80 LEU H H 80 9.005 9.005 8.871 0.134 17588 8105 1 14 . 1 1 81 81 THR N N 81 115.259 115.259 111.949 3.310 17588 8106 1 14 . 1 1 81 81 THR HA H 81 3.939 3.939 3.894 0.045 17588 8107 1 14 . 1 1 81 81 THR C C 81 177.000 177.000 176.778 0.222 17588 8108 1 14 . 1 1 81 81 THR CA C 81 66.349 66.349 65.811 0.538 17588 8109 1 14 . 1 1 81 81 THR CB C 81 68.591 68.591 68.367 0.224 17588 8110 1 14 . 1 1 81 81 THR H H 81 8.135 8.135 7.880 0.255 17588 8111 1 14 . 1 1 82 82 GLN N N 82 121.304 121.304 119.756 1.548 17588 8112 1 14 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.696 -0.043 17588 8113 1 14 . 1 1 82 82 GLN C C 82 178.354 178.354 177.506 0.848 17588 8114 1 14 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.097 0.542 17588 8115 1 14 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.736 0.178 17588 8116 1 14 . 1 1 82 82 GLN H H 82 7.641 7.641 7.841 -0.200 17588 8117 1 14 . 1 1 83 83 MET N N 83 117.464 117.464 120.226 -2.762 17588 8118 1 14 . 1 1 83 83 MET HA H 83 4.425 4.425 3.856 0.569 17588 8119 1 14 . 1 1 83 83 MET C C 83 177.906 177.906 178.127 -0.221 17588 8120 1 14 . 1 1 83 83 MET CA C 83 55.462 55.462 58.178 -2.716 17588 8121 1 14 . 1 1 83 83 MET CB C 83 29.014 29.014 32.105 -3.091 17588 8122 1 14 . 1 1 83 83 MET H H 83 8.665 8.665 8.363 0.302 17588 8123 1 14 . 1 1 84 84 SER N N 84 114.879 114.879 114.186 0.693 17588 8124 1 14 . 1 1 84 84 SER HA H 84 3.689 3.689 3.752 -0.063 17588 8125 1 14 . 1 1 84 84 SER C C 84 176.666 176.666 176.220 0.446 17588 8126 1 14 . 1 1 84 84 SER CA C 84 61.347 61.347 62.183 -0.836 17588 8127 1 14 . 1 1 84 84 SER CB C 84 62.356 62.356 62.593 -0.237 17588 8128 1 14 . 1 1 84 84 SER H H 84 8.607 8.607 8.433 0.174 17588 8129 1 14 . 1 1 85 85 ASN N N 85 117.904 117.904 119.694 -1.790 17588 8130 1 14 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.268 0.147 17588 8131 1 14 . 1 1 85 85 ASN C C 85 177.997 177.997 177.203 0.794 17588 8132 1 14 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.680 0.273 17588 8133 1 14 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.725 0.535 17588 8134 1 14 . 1 1 85 85 ASN H H 85 7.204 7.204 7.289 -0.085 17588 8135 1 14 . 1 1 86 86 PHE N N 86 118.316 118.316 117.552 0.764 17588 8136 1 14 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.144 0.284 17588 8137 1 14 . 1 1 86 86 PHE C C 86 177.478 177.478 177.179 0.299 17588 8138 1 14 . 1 1 86 86 PHE CA C 86 58.394 58.394 59.520 -1.126 17588 8139 1 14 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.299 0.536 17588 8140 1 14 . 1 1 86 86 PHE H H 86 8.367 8.367 7.506 0.861 17588 8141 1 14 . 1 1 87 87 LEU N N 87 112.533 112.533 118.323 -5.790 17588 8142 1 14 . 1 1 87 87 LEU HA H 87 4.100 4.100 3.548 0.552 17588 8143 1 14 . 1 1 87 87 LEU C C 87 176.474 176.474 177.623 -1.149 17588 8144 1 14 . 1 1 87 87 LEU CA C 87 54.549 54.549 56.978 -2.429 17588 8145 1 14 . 1 1 87 87 LEU CB C 87 41.371 41.371 41.569 -0.198 17588 8146 1 14 . 1 1 87 87 LEU H H 87 7.778 7.778 8.161 -0.383 17588 8147 1 14 . 1 1 88 88 LYS N N 88 119.798 119.798 119.473 0.325 17588 8148 1 14 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.007 0.241 17588 8149 1 14 . 1 1 88 88 LYS C C 88 176.594 176.594 177.032 -0.438 17588 8150 1 14 . 1 1 88 88 LYS CA C 88 57.674 57.674 57.369 0.305 17588 8151 1 14 . 1 1 88 88 LYS CB C 88 32.671 32.671 31.959 0.712 17588 8152 1 14 . 1 1 88 88 LYS H H 88 7.328 7.328 7.926 -0.598 17588 8153 1 14 . 1 1 89 89 SER N N 89 117.937 117.937 119.090 -1.153 17588 8154 1 14 . 1 1 89 89 SER HA H 89 4.785 4.785 4.499 0.286 17588 8155 1 14 . 1 1 89 89 SER CA C 89 57.375 57.375 57.891 -0.516 17588 8156 1 14 . 1 1 89 89 SER CB C 89 64.838 64.838 62.358 2.480 17588 8157 1 14 . 1 1 89 89 SER H H 89 8.197 8.197 8.232 -0.035 17588 8158 1 14 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.982 0.172 17588 8159 1 14 . 1 1 90 90 LYS C C 90 177.472 177.472 175.414 2.058 17588 8160 1 14 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.730 0.664 17588 8161 1 14 . 1 1 90 90 LYS CB C 90 31.767 31.767 30.683 1.084 17588 8162 1 14 . 1 1 90 90 LYS H H 90 7.981 7.981 7.526 0.455 17588 8163 1 14 . 1 1 91 91 THR N N 91 113.435 113.435 114.356 -0.921 17588 8164 1 14 . 1 1 91 91 THR HA H 91 4.342 4.342 4.545 -0.203 17588 8165 1 14 . 1 1 91 91 THR C C 91 174.236 174.236 174.720 -0.484 17588 8166 1 14 . 1 1 91 91 THR CA C 91 61.203 61.203 60.929 0.273 17588 8167 1 14 . 1 1 91 91 THR CB C 91 69.254 69.254 71.509 -2.255 17588 8168 1 14 . 1 1 91 91 THR H H 91 7.942 7.942 7.390 0.552 17588 8169 1 14 . 1 1 92 92 ALA N N 92 129.685 129.685 127.996 1.689 17588 8170 1 14 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.120 0.058 17588 8171 1 14 . 1 1 92 92 ALA C C 92 178.710 178.710 178.084 0.626 17588 8172 1 14 . 1 1 92 92 ALA CA C 92 53.583 53.583 53.736 -0.152 17588 8173 1 14 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.929 -0.848 17588 8174 1 14 . 1 1 92 92 ALA H H 92 8.603 8.603 8.415 0.188 17588 8175 1 14 . 1 1 93 93 GLY N N 93 109.919 109.919 106.253 3.666 17588 8176 1 14 . 1 1 93 93 GLY C C 93 176.310 176.310 173.470 2.840 17588 8177 1 14 . 1 1 93 93 GLY CA C 93 45.505 45.505 44.961 0.544 17588 8178 1 14 . 1 1 93 93 GLY H H 93 8.823 8.823 7.779 1.044 17588 8179 1 14 . 1 1 94 94 LYS N N 94 120.949 120.949 124.716 -3.767 17588 8180 1 14 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.388 -0.596 17588 8181 1 14 . 1 1 94 94 LYS C C 94 177.630 177.630 176.378 1.252 17588 8182 1 14 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.359 3.247 17588 8183 1 14 . 1 1 94 94 LYS CB C 94 33.246 33.246 34.306 -1.060 17588 8184 1 14 . 1 1 94 94 LYS H H 94 7.501 7.501 8.090 -0.589 17588 8185 1 14 . 1 1 95 95 TYR N N 95 113.034 113.034 119.386 -6.352 17588 8186 1 14 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.895 0.152 17588 8187 1 14 . 1 1 95 95 TYR C C 95 176.649 176.649 176.389 0.260 17588 8188 1 14 . 1 1 95 95 TYR CA C 95 56.936 56.936 57.017 -0.081 17588 8189 1 14 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.770 1.230 17588 8190 1 14 . 1 1 95 95 TYR H H 95 8.670 8.670 8.610 0.060 17588 8191 1 14 . 1 1 96 96 ASP N N 96 123.097 123.097 121.620 1.477 17588 8192 1 14 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.565 -0.236 17588 8193 1 14 . 1 1 96 96 ASP C C 96 178.087 178.087 178.216 -0.129 17588 8194 1 14 . 1 1 96 96 ASP CA C 96 58.619 58.619 58.117 0.502 17588 8195 1 14 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.638 -1.068 17588 8196 1 14 . 1 1 96 96 ASP H H 96 7.756 7.756 8.586 -0.830 17588 8197 1 14 . 1 1 97 97 ARG N N 97 118.384 118.384 119.442 -1.058 17588 8198 1 14 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.171 0.091 17588 8199 1 14 . 1 1 97 97 ARG C C 97 179.927 179.927 178.569 1.358 17588 8200 1 14 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.415 0.331 17588 8201 1 14 . 1 1 97 97 ARG CB C 97 29.794 29.794 30.115 -0.321 17588 8202 1 14 . 1 1 97 97 ARG H H 97 8.897 8.897 8.533 0.364 17588 8203 1 14 . 1 1 98 98 VAL N N 98 119.642 119.642 119.324 0.318 17588 8204 1 14 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.093 -0.155 17588 8205 1 14 . 1 1 98 98 VAL C C 98 179.630 179.630 178.706 0.924 17588 8206 1 14 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.023 0.781 17588 8207 1 14 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.462 0.592 17588 8208 1 14 . 1 1 98 98 VAL H H 98 7.578 7.578 8.068 -0.490 17588 8209 1 14 . 1 1 99 99 TYR N N 99 122.432 122.432 121.224 1.208 17588 8210 1 14 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.109 -0.175 17588 8211 1 14 . 1 1 99 99 TYR C C 99 176.400 176.400 177.639 -1.239 17588 8212 1 14 . 1 1 99 99 TYR CA C 99 62.906 62.906 62.027 0.879 17588 8213 1 14 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.363 -0.041 17588 8214 1 14 . 1 1 99 99 TYR H H 99 8.635 8.635 8.530 0.105 17588 8215 1 14 . 1 1 100 100 ASN N N 100 117.211 117.211 117.205 0.006 17588 8216 1 14 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.020 0.266 17588 8217 1 14 . 1 1 100 100 ASN C C 100 178.488 178.488 177.926 0.562 17588 8218 1 14 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.246 -0.390 17588 8219 1 14 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.802 0.047 17588 8220 1 14 . 1 1 100 100 ASN H H 100 9.024 9.024 8.532 0.492 17588 8221 1 14 . 1 1 101 101 GLY N N 101 105.413 105.413 107.615 -2.202 17588 8222 1 14 . 1 1 101 101 GLY C C 101 175.833 175.833 175.669 0.164 17588 8223 1 14 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.101 -0.069 17588 8224 1 14 . 1 1 101 101 GLY H H 101 7.908 7.908 8.068 -0.160 17588 8225 1 14 . 1 1 102 102 TYR N N 102 126.373 126.373 123.622 2.751 17588 8226 1 14 . 1 1 102 102 TYR HA H 102 3.467 3.467 4.140 -0.673 17588 8227 1 14 . 1 1 102 102 TYR C C 102 176.016 176.016 177.930 -1.914 17588 8228 1 14 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.035 -0.482 17588 8229 1 14 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.656 -0.766 17588 8230 1 14 . 1 1 102 102 TYR H H 102 7.581 7.581 7.816 -0.235 17588 8231 1 14 . 1 1 103 103 VAL N N 103 117.870 117.870 118.046 -0.176 17588 8232 1 14 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.280 -0.138 17588 8233 1 14 . 1 1 103 103 VAL C C 103 178.786 178.786 178.447 0.339 17588 8234 1 14 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.578 -0.001 17588 8235 1 14 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.784 0.963 17588 8236 1 14 . 1 1 103 103 VAL H H 103 7.510 7.510 7.564 -0.054 17588 8237 1 14 . 1 1 104 104 ILE N N 104 116.770 116.770 118.132 -1.362 17588 8238 1 14 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.532 0.160 17588 8239 1 14 . 1 1 104 104 ILE C C 104 178.703 178.703 177.513 1.190 17588 8240 1 14 . 1 1 104 104 ILE CA C 104 63.837 63.837 65.214 -1.377 17588 8241 1 14 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.317 0.615 17588 8242 1 14 . 1 1 104 104 ILE H H 104 7.056 7.056 7.467 -0.411 17588 8243 1 14 . 1 1 105 105 HIS N N 105 121.324 121.324 118.116 3.208 17588 8244 1 14 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.214 -0.262 17588 8245 1 14 . 1 1 105 105 HIS C C 105 176.974 176.974 177.548 -0.574 17588 8246 1 14 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.431 0.719 17588 8247 1 14 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.677 0.847 17588 8248 1 14 . 1 1 105 105 HIS H H 105 7.864 7.864 7.718 0.146 17588 8249 1 14 . 1 1 106 106 LEU N N 106 115.126 115.126 119.714 -4.588 17588 8250 1 14 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.483 -0.648 17588 8251 1 14 . 1 1 106 106 LEU C C 106 177.315 177.315 178.158 -0.843 17588 8252 1 14 . 1 1 106 106 LEU CA C 106 55.707 55.707 56.992 -1.285 17588 8253 1 14 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.632 0.409 17588 8254 1 14 . 1 1 106 106 LEU H H 106 7.517 7.517 7.829 -0.311 17588 8255 1 14 . 1 1 107 107 ASP N N 107 119.221 119.221 119.245 -0.024 17588 8256 1 14 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.317 0.184 17588 8257 1 14 . 1 1 107 107 ASP C C 107 175.224 175.224 176.589 -1.365 17588 8258 1 14 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.798 -1.180 17588 8259 1 14 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.935 -0.171 17588 8260 1 14 . 1 1 107 107 ASP H H 107 7.512 7.512 7.698 -0.186 17588 8261 1 15 . 1 1 6 6 SER HA H 6 4.480 4.480 5.332 -0.852 17588 8262 1 15 . 1 1 6 6 SER C C 6 174.995 174.995 172.713 2.282 17588 8263 1 15 . 1 1 6 6 SER CA C 6 58.675 58.675 57.494 1.181 17588 8264 1 15 . 1 1 6 6 SER CB C 6 63.822 63.822 64.902 -1.080 17588 8265 1 15 . 1 1 7 7 GLY N N 7 110.458 110.458 109.953 0.505 17588 8266 1 15 . 1 1 7 7 GLY C C 7 173.853 173.853 172.098 1.755 17588 8267 1 15 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.493 0.854 17588 8268 1 15 . 1 1 7 7 GLY H H 7 8.394 8.394 8.743 -0.349 17588 8269 1 15 . 1 1 8 8 ASN N N 8 119.020 119.020 118.528 0.492 17588 8270 1 15 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.936 -0.179 17588 8271 1 15 . 1 1 8 8 ASN C C 8 175.389 175.389 174.386 1.003 17588 8272 1 15 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.382 0.849 17588 8273 1 15 . 1 1 8 8 ASN CB C 8 38.959 38.959 40.893 -1.934 17588 8274 1 15 . 1 1 8 8 ASN H H 8 8.308 8.308 8.912 -0.604 17588 8275 1 15 . 1 1 9 9 VAL N N 9 120.281 120.281 119.063 1.218 17588 8276 1 15 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.793 -0.678 17588 8277 1 15 . 1 1 9 9 VAL C C 9 175.980 175.980 175.531 0.449 17588 8278 1 15 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.328 0.140 17588 8279 1 15 . 1 1 9 9 VAL CB C 9 32.712 32.712 32.934 -0.223 17588 8280 1 15 . 1 1 9 9 VAL H H 9 8.173 8.173 8.671 -0.498 17588 8281 1 15 . 1 1 10 10 ASP N N 10 123.840 123.840 119.780 4.060 17588 8282 1 15 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.755 -0.131 17588 8283 1 15 . 1 1 10 10 ASP C C 10 176.599 176.599 174.522 2.077 17588 8284 1 15 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.843 0.547 17588 8285 1 15 . 1 1 10 10 ASP CB C 10 41.343 41.343 42.669 -1.325 17588 8286 1 15 . 1 1 10 10 ASP H H 10 8.418 8.418 8.493 -0.075 17588 8287 1 15 . 1 1 11 11 SER N N 11 117.003 117.003 117.662 -0.659 17588 8288 1 15 . 1 1 11 11 SER HA H 11 4.395 4.395 4.916 -0.521 17588 8289 1 15 . 1 1 11 11 SER C C 11 174.834 174.834 173.446 1.388 17588 8290 1 15 . 1 1 11 11 SER CA C 11 58.886 58.886 57.885 1.001 17588 8291 1 15 . 1 1 11 11 SER CB C 11 63.740 63.740 63.966 -0.226 17588 8292 1 15 . 1 1 11 11 SER H H 11 8.312 8.312 8.369 -0.057 17588 8293 1 15 . 1 1 12 12 ASN N N 12 120.512 120.512 121.651 -1.139 17588 8294 1 15 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.831 -0.146 17588 8295 1 15 . 1 1 12 12 ASN C C 12 175.646 175.646 172.956 2.690 17588 8296 1 15 . 1 1 12 12 ASN CA C 12 53.793 53.793 53.013 0.780 17588 8297 1 15 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.496 -0.866 17588 8298 1 15 . 1 1 12 12 ASN H H 12 8.511 8.511 8.737 -0.226 17588 8299 1 15 . 1 1 13 13 GLN N N 13 120.057 120.057 119.639 0.418 17588 8300 1 15 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.526 -0.288 17588 8301 1 15 . 1 1 13 13 GLN C C 13 175.988 175.988 173.729 2.259 17588 8302 1 15 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.267 1.180 17588 8303 1 15 . 1 1 13 13 GLN CB C 13 29.137 29.137 31.350 -2.213 17588 8304 1 15 . 1 1 13 13 GLN H H 13 8.258 8.258 8.487 -0.229 17588 8305 1 15 . 1 1 14 14 ASN N N 14 119.323 119.323 119.728 -0.405 17588 8306 1 15 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.926 -0.241 17588 8307 1 15 . 1 1 14 14 ASN C C 14 175.552 175.552 174.851 0.701 17588 8308 1 15 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.737 0.828 17588 8309 1 15 . 1 1 14 14 ASN CB C 14 38.763 38.763 40.070 -1.307 17588 8310 1 15 . 1 1 14 14 ASN H H 14 8.377 8.377 8.490 -0.113 17588 8311 1 15 . 1 1 15 15 LYS N N 15 121.938 121.938 123.411 -1.473 17588 8312 1 15 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.315 -0.101 17588 8313 1 15 . 1 1 15 15 LYS C C 15 176.933 176.933 176.640 0.293 17588 8314 1 15 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.922 1.313 17588 8315 1 15 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.309 -0.556 17588 8316 1 15 . 1 1 15 15 LYS H H 15 8.224 8.224 8.401 -0.177 17588 8317 1 15 . 1 1 16 16 ALA N N 16 123.956 123.956 123.339 0.617 17588 8318 1 15 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.224 0.050 17588 8319 1 15 . 1 1 16 16 ALA C C 16 178.593 178.593 177.235 1.358 17588 8320 1 15 . 1 1 16 16 ALA CA C 16 53.442 53.442 52.636 0.806 17588 8321 1 15 . 1 1 16 16 ALA CB C 16 18.863 18.863 19.267 -0.404 17588 8322 1 15 . 1 1 16 16 ALA H H 16 8.292 8.292 8.259 0.033 17588 8323 1 15 . 1 1 17 17 SER N N 17 114.462 114.462 115.383 -0.921 17588 8324 1 15 . 1 1 17 17 SER HA H 17 4.365 4.365 4.530 -0.165 17588 8325 1 15 . 1 1 17 17 SER C C 17 175.370 175.370 174.284 1.086 17588 8326 1 15 . 1 1 17 17 SER CA C 17 59.077 59.077 57.625 1.452 17588 8327 1 15 . 1 1 17 17 SER CB C 17 63.383 63.383 62.715 0.668 17588 8328 1 15 . 1 1 17 17 SER H H 17 8.200 8.200 8.316 -0.116 17588 8329 1 15 . 1 1 18 18 MET N N 18 121.999 121.999 125.313 -3.314 17588 8330 1 15 . 1 1 18 18 MET HA H 18 4.429 4.429 4.338 0.091 17588 8331 1 15 . 1 1 18 18 MET C C 18 176.829 176.829 175.378 1.451 17588 8332 1 15 . 1 1 18 18 MET CA C 18 56.357 56.357 56.120 0.237 17588 8333 1 15 . 1 1 18 18 MET CB C 18 32.630 32.630 33.182 -0.552 17588 8334 1 15 . 1 1 18 18 MET H H 18 8.214 8.214 8.624 -0.410 17588 8335 1 15 . 1 1 19 19 LEU N N 19 122.083 122.083 122.163 -0.080 17588 8336 1 15 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.824 -0.568 17588 8337 1 15 . 1 1 19 19 LEU C C 19 177.774 177.774 175.130 2.644 17588 8338 1 15 . 1 1 19 19 LEU CA C 19 56.111 56.111 54.119 1.992 17588 8339 1 15 . 1 1 19 19 LEU CB C 19 42.041 42.041 43.393 -1.352 17588 8340 1 15 . 1 1 19 19 LEU H H 19 8.076 8.076 8.052 0.024 17588 8341 1 15 . 1 1 20 20 GLN N N 20 120.123 120.123 119.877 0.246 17588 8342 1 15 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.663 -0.456 17588 8343 1 15 . 1 1 20 20 GLN C C 20 176.166 176.166 174.505 1.661 17588 8344 1 15 . 1 1 20 20 GLN CA C 20 56.409 56.409 55.778 0.631 17588 8345 1 15 . 1 1 20 20 GLN CB C 20 29.196 29.196 30.056 -0.860 17588 8346 1 15 . 1 1 20 20 GLN H H 20 8.174 8.174 8.510 -0.336 17588 8347 1 15 . 1 1 21 21 ALA N N 21 124.216 124.216 125.164 -0.948 17588 8348 1 15 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.719 -0.465 17588 8349 1 15 . 1 1 21 21 ALA C C 21 178.034 178.034 176.587 1.447 17588 8350 1 15 . 1 1 21 21 ALA CA C 21 53.126 53.126 52.045 1.081 17588 8351 1 15 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.264 -1.192 17588 8352 1 15 . 1 1 21 21 ALA H H 21 8.151 8.151 8.343 -0.192 17588 8353 1 15 . 1 1 22 22 ARG N N 22 119.591 119.591 123.649 -4.058 17588 8354 1 15 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.707 -0.399 17588 8355 1 15 . 1 1 22 22 ARG C C 22 176.750 176.750 174.535 2.215 17588 8356 1 15 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.418 1.009 17588 8357 1 15 . 1 1 22 22 ARG CB C 22 30.616 30.616 31.169 -0.553 17588 8358 1 15 . 1 1 22 22 ARG H H 22 8.147 8.147 8.513 -0.366 17588 8359 1 15 . 1 1 23 23 LEU N N 23 122.553 122.553 122.897 -0.344 17588 8360 1 15 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.598 -0.324 17588 8361 1 15 . 1 1 23 23 LEU C C 23 177.547 177.547 176.578 0.969 17588 8362 1 15 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.238 1.452 17588 8363 1 15 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.204 -1.122 17588 8364 1 15 . 1 1 23 23 LEU H H 23 8.220 8.220 8.476 -0.256 17588 8365 1 15 . 1 1 24 24 ASN N N 24 118.666 118.666 122.372 -3.706 17588 8366 1 15 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.764 -0.091 17588 8367 1 15 . 1 1 24 24 ASN C C 24 175.246 175.246 175.193 0.053 17588 8368 1 15 . 1 1 24 24 ASN CA C 24 53.565 53.565 53.409 0.156 17588 8369 1 15 . 1 1 24 24 ASN CB C 24 38.836 38.836 39.387 -0.551 17588 8370 1 15 . 1 1 24 24 ASN H H 24 8.351 8.351 8.599 -0.248 17588 8371 1 15 . 1 1 25 25 ASP N N 25 120.897 120.897 123.028 -2.131 17588 8372 1 15 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.440 0.136 17588 8373 1 15 . 1 1 25 25 ASP C C 25 176.732 176.732 177.242 -0.510 17588 8374 1 15 . 1 1 25 25 ASP CA C 25 54.706 54.706 55.748 -1.042 17588 8375 1 15 . 1 1 25 25 ASP CB C 25 41.219 41.219 41.059 0.160 17588 8376 1 15 . 1 1 25 25 ASP H H 25 8.234 8.234 8.830 -0.596 17588 8377 1 15 . 1 1 26 26 GLU N N 26 121.168 121.168 121.697 -0.529 17588 8378 1 15 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.118 0.096 17588 8379 1 15 . 1 1 26 26 GLU C C 26 176.857 176.857 176.174 0.683 17588 8380 1 15 . 1 1 26 26 GLU CA C 26 57.247 57.247 57.547 -0.300 17588 8381 1 15 . 1 1 26 26 GLU CB C 26 29.959 29.959 29.708 0.251 17588 8382 1 15 . 1 1 26 26 GLU H H 26 8.368 8.368 8.427 -0.059 17588 8383 1 15 . 1 1 27 27 ALA N N 27 124.100 124.100 123.520 0.580 17588 8384 1 15 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.461 -0.144 17588 8385 1 15 . 1 1 27 27 ALA C C 27 178.520 178.520 177.427 1.093 17588 8386 1 15 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.113 0.873 17588 8387 1 15 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.382 -0.437 17588 8388 1 15 . 1 1 27 27 ALA H H 27 8.289 8.289 7.819 0.470 17588 8389 1 15 . 1 1 28 28 GLY N N 28 107.844 107.844 108.246 -0.402 17588 8390 1 15 . 1 1 28 28 GLY C C 28 175.019 175.019 175.368 -0.349 17588 8391 1 15 . 1 1 28 28 GLY CA C 28 45.628 45.628 44.759 0.869 17588 8392 1 15 . 1 1 28 28 GLY H H 28 8.315 8.315 8.146 0.169 17588 8393 1 15 . 1 1 29 29 GLY N N 29 108.754 108.754 112.452 -3.698 17588 8394 1 15 . 1 1 29 29 GLY C C 29 174.659 174.659 174.922 -0.263 17588 8395 1 15 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.567 -0.080 17588 8396 1 15 . 1 1 29 29 GLY H H 29 8.266 8.266 8.494 -0.228 17588 8397 1 15 . 1 1 30 30 THR N N 30 114.068 114.068 117.401 -3.333 17588 8398 1 15 . 1 1 30 30 THR HA H 30 4.301 4.301 4.346 -0.045 17588 8399 1 15 . 1 1 30 30 THR C C 30 174.789 174.789 173.916 0.873 17588 8400 1 15 . 1 1 30 30 THR CA C 30 62.327 62.327 61.716 0.611 17588 8401 1 15 . 1 1 30 30 THR CB C 30 69.553 69.553 69.916 -0.363 17588 8402 1 15 . 1 1 30 30 THR H H 30 8.111 8.111 7.780 0.331 17588 8403 1 15 . 1 1 31 31 ARG N N 31 123.536 123.536 125.673 -2.137 17588 8404 1 15 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.059 0.240 17588 8405 1 15 . 1 1 31 31 ARG C C 31 176.125 176.125 176.005 0.120 17588 8406 1 15 . 1 1 31 31 ARG CA C 31 56.462 56.462 56.882 -0.420 17588 8407 1 15 . 1 1 31 31 ARG CB C 31 30.657 30.657 30.163 0.494 17588 8408 1 15 . 1 1 31 31 ARG H H 31 8.343 8.343 8.403 -0.060 17588 8409 1 15 . 1 1 32 32 LEU N N 32 122.865 122.865 125.301 -2.436 17588 8410 1 15 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.343 -0.024 17588 8411 1 15 . 1 1 32 32 LEU C C 32 177.036 177.036 177.001 0.035 17588 8412 1 15 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.379 0.854 17588 8413 1 15 . 1 1 32 32 LEU CB C 32 42.264 42.264 42.686 -0.422 17588 8414 1 15 . 1 1 32 32 LEU H H 32 8.203 8.203 7.999 0.204 17588 8415 1 15 . 1 1 33 33 LEU N N 33 123.054 123.054 120.597 2.457 17588 8416 1 15 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.085 0.251 17588 8417 1 15 . 1 1 33 33 LEU C C 33 177.022 177.022 176.665 0.357 17588 8418 1 15 . 1 1 33 33 LEU CA C 33 55.069 55.069 55.282 -0.213 17588 8419 1 15 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.019 0.269 17588 8420 1 15 . 1 1 33 33 LEU H H 33 8.150 8.150 8.068 0.082 17588 8421 1 15 . 1 1 34 34 ARG N N 34 122.226 122.226 119.233 2.993 17588 8422 1 15 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.028 0.309 17588 8423 1 15 . 1 1 34 34 ARG C C 34 175.950 175.950 175.860 0.090 17588 8424 1 15 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.879 0.039 17588 8425 1 15 . 1 1 34 34 ARG CB C 34 30.781 30.781 30.043 0.738 17588 8426 1 15 . 1 1 34 34 ARG H H 34 8.248 8.248 8.247 0.001 17588 8427 1 15 . 1 1 35 35 VAL N N 35 121.294 121.294 117.418 3.876 17588 8428 1 15 . 1 1 35 35 VAL HA H 35 4.041 4.041 3.710 0.331 17588 8429 1 15 . 1 1 35 35 VAL C C 35 175.709 175.709 175.787 -0.078 17588 8430 1 15 . 1 1 35 35 VAL CA C 35 62.240 62.240 63.327 -1.087 17588 8431 1 15 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.331 0.422 17588 8432 1 15 . 1 1 35 35 VAL H H 35 8.107 8.107 8.117 -0.010 17588 8433 1 15 . 1 1 36 36 HIS N N 36 123.522 123.522 120.404 3.118 17588 8434 1 15 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.494 0.104 17588 8435 1 15 . 1 1 36 36 HIS C C 36 174.825 174.825 176.071 -1.246 17588 8436 1 15 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.118 -0.007 17588 8437 1 15 . 1 1 36 36 HIS CB C 36 30.944 30.944 30.544 0.400 17588 8438 1 15 . 1 1 36 36 HIS H H 36 8.410 8.410 8.288 0.122 17588 8439 1 15 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.427 0.173 17588 8440 1 15 . 1 1 37 37 HIS C C 37 175.173 175.173 175.479 -0.306 17588 8441 1 15 . 1 1 37 37 HIS CA C 37 56.217 56.217 57.465 -1.248 17588 8442 1 15 . 1 1 37 37 HIS CB C 37 31.027 31.027 29.981 1.046 17588 8443 1 15 . 1 1 38 38 GLU N N 38 122.826 122.826 119.640 3.186 17588 8444 1 15 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.162 0.093 17588 8445 1 15 . 1 1 38 38 GLU C C 38 176.483 176.483 175.455 1.028 17588 8446 1 15 . 1 1 38 38 GLU CA C 38 56.919 56.919 57.287 -0.368 17588 8447 1 15 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.023 0.305 17588 8448 1 15 . 1 1 38 38 GLU H H 38 8.569 8.569 8.349 0.220 17588 8449 1 15 . 1 1 39 39 SER N N 39 116.398 116.398 117.903 -1.505 17588 8450 1 15 . 1 1 39 39 SER HA H 39 4.454 4.454 4.557 -0.103 17588 8451 1 15 . 1 1 39 39 SER C C 39 174.497 174.497 173.434 1.063 17588 8452 1 15 . 1 1 39 39 SER CA C 39 58.552 58.552 57.057 1.495 17588 8453 1 15 . 1 1 39 39 SER CB C 39 64.028 64.028 64.783 -0.755 17588 8454 1 15 . 1 1 39 39 SER H H 39 8.444 8.444 8.161 0.283 17588 8455 1 15 . 1 1 40 40 ASP N N 40 122.831 122.831 122.493 0.338 17588 8456 1 15 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.369 0.303 17588 8457 1 15 . 1 1 40 40 ASP C C 40 176.783 176.783 174.727 2.056 17588 8458 1 15 . 1 1 40 40 ASP CA C 40 54.759 54.759 54.991 -0.232 17588 8459 1 15 . 1 1 40 40 ASP CB C 40 41.014 41.014 40.725 0.289 17588 8460 1 15 . 1 1 40 40 ASP H H 40 8.469 8.469 8.503 -0.034 17588 8461 1 15 . 1 1 41 41 THR N N 41 113.679 113.679 112.957 0.722 17588 8462 1 15 . 1 1 41 41 THR HA H 41 4.181 4.181 4.513 -0.332 17588 8463 1 15 . 1 1 41 41 THR C C 41 175.314 175.314 173.900 1.414 17588 8464 1 15 . 1 1 41 41 THR CA C 41 62.819 62.819 60.657 2.162 17588 8465 1 15 . 1 1 41 41 THR CB C 41 69.576 69.576 70.779 -1.203 17588 8466 1 15 . 1 1 41 41 THR H H 41 8.066 8.066 7.985 0.081 17588 8467 1 15 . 1 1 42 42 GLU N N 42 122.776 122.776 125.767 -2.991 17588 8468 1 15 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.153 0.055 17588 8469 1 15 . 1 1 42 42 GLU C C 42 177.129 177.129 177.517 -0.388 17588 8470 1 15 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.738 0.584 17588 8471 1 15 . 1 1 42 42 GLU CB C 42 30.000 30.000 29.122 0.878 17588 8472 1 15 . 1 1 42 42 GLU H H 42 8.343 8.343 8.680 -0.337 17588 8473 1 15 . 1 1 43 43 GLU N N 43 121.898 121.898 126.956 -5.058 17588 8474 1 15 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.091 0.120 17588 8475 1 15 . 1 1 43 43 GLU C C 43 177.313 177.313 178.938 -1.625 17588 8476 1 15 . 1 1 43 43 GLU CA C 43 57.453 57.453 60.282 -2.829 17588 8477 1 15 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.397 0.562 17588 8478 1 15 . 1 1 43 43 GLU H H 43 8.397 8.397 8.951 -0.554 17588 8479 1 15 . 1 1 44 44 ARG N N 44 121.336 121.336 117.878 3.458 17588 8480 1 15 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.080 0.146 17588 8481 1 15 . 1 1 44 44 ARG C C 44 178.048 178.048 178.480 -0.432 17588 8482 1 15 . 1 1 44 44 ARG CA C 44 57.779 57.779 59.017 -1.238 17588 8483 1 15 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.653 0.713 17588 8484 1 15 . 1 1 44 44 ARG H H 44 8.401 8.401 8.656 -0.255 17588 8485 1 15 . 1 1 45 45 GLY N N 45 109.098 109.098 104.728 4.370 17588 8486 1 15 . 1 1 45 45 GLY C C 45 175.522 175.522 175.338 0.184 17588 8487 1 15 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.334 1.066 17588 8488 1 15 . 1 1 45 45 GLY H H 45 8.536 8.536 7.972 0.564 17588 8489 1 15 . 1 1 46 46 PHE N N 46 121.592 121.592 123.879 -2.287 17588 8490 1 15 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.091 0.326 17588 8491 1 15 . 1 1 46 46 PHE C C 46 177.561 177.561 176.787 0.774 17588 8492 1 15 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.914 -1.834 17588 8493 1 15 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.294 -0.383 17588 8494 1 15 . 1 1 46 46 PHE H H 46 8.071 8.071 8.723 -0.652 17588 8495 1 15 . 1 1 47 47 LEU N N 47 121.344 121.344 118.882 2.462 17588 8496 1 15 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.619 0.423 17588 8497 1 15 . 1 1 47 47 LEU C C 47 179.621 179.621 178.489 1.132 17588 8498 1 15 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.874 -0.414 17588 8499 1 15 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.723 -0.086 17588 8500 1 15 . 1 1 47 47 LEU H H 47 8.215 8.215 8.042 0.173 17588 8501 1 15 . 1 1 48 48 GLU N N 48 121.986 121.986 119.452 2.534 17588 8502 1 15 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.622 0.366 17588 8503 1 15 . 1 1 48 48 GLU C C 48 177.573 177.573 178.429 -0.856 17588 8504 1 15 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.489 -0.182 17588 8505 1 15 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.372 0.276 17588 8506 1 15 . 1 1 48 48 GLU H H 48 8.225 8.225 7.849 0.376 17588 8507 1 15 . 1 1 49 49 LYS N N 49 118.759 118.759 117.840 0.919 17588 8508 1 15 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.564 -0.321 17588 8509 1 15 . 1 1 49 49 LYS C C 49 177.659 177.659 178.374 -0.715 17588 8510 1 15 . 1 1 49 49 LYS CA C 49 59.886 59.886 60.070 -0.184 17588 8511 1 15 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.242 0.060 17588 8512 1 15 . 1 1 49 49 LYS H H 49 7.790 7.790 8.205 -0.415 17588 8513 1 15 . 1 1 50 50 ALA N N 50 120.023 120.023 120.416 -0.393 17588 8514 1 15 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.747 0.212 17588 8515 1 15 . 1 1 50 50 ALA C C 50 180.486 180.486 178.962 1.524 17588 8516 1 15 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.911 -0.029 17588 8517 1 15 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.831 0.046 17588 8518 1 15 . 1 1 50 50 ALA H H 50 7.798 7.798 7.227 0.571 17588 8519 1 15 . 1 1 51 51 ALA N N 51 121.955 121.955 121.055 0.900 17588 8520 1 15 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.810 0.303 17588 8521 1 15 . 1 1 51 51 ALA C C 51 180.762 180.762 179.626 1.136 17588 8522 1 15 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.114 -0.003 17588 8523 1 15 . 1 1 51 51 ALA CB C 51 18.041 18.041 17.788 0.253 17588 8524 1 15 . 1 1 51 51 ALA H H 51 7.809 7.809 7.418 0.391 17588 8525 1 15 . 1 1 52 52 VAL N N 52 120.415 120.415 118.569 1.846 17588 8526 1 15 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.642 0.008 17588 8527 1 15 . 1 1 52 52 VAL C C 52 178.567 178.567 178.335 0.232 17588 8528 1 15 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.579 0.648 17588 8529 1 15 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.787 0.323 17588 8530 1 15 . 1 1 52 52 VAL H H 52 7.944 7.944 7.419 0.525 17588 8531 1 15 . 1 1 53 53 LYS N N 53 119.231 119.231 116.745 2.486 17588 8532 1 15 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.687 -0.123 17588 8533 1 15 . 1 1 53 53 LYS C C 53 178.546 178.546 179.039 -0.493 17588 8534 1 15 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.247 1.473 17588 8535 1 15 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.628 0.623 17588 8536 1 15 . 1 1 53 53 LYS H H 53 8.132 8.132 8.100 0.032 17588 8537 1 15 . 1 1 54 54 LYS N N 54 119.514 119.514 119.880 -0.366 17588 8538 1 15 . 1 1 54 54 LYS HA H 54 3.993 3.993 4.120 -0.127 17588 8539 1 15 . 1 1 54 54 LYS C C 54 179.987 179.987 178.753 1.234 17588 8540 1 15 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.240 0.997 17588 8541 1 15 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.483 -0.000 17588 8542 1 15 . 1 1 54 54 LYS H H 54 7.956 7.956 7.938 0.018 17588 8543 1 15 . 1 1 55 55 MET N N 55 119.732 119.732 117.754 1.978 17588 8544 1 15 . 1 1 55 55 MET HA H 55 4.251 4.251 4.067 0.184 17588 8545 1 15 . 1 1 55 55 MET C C 55 177.536 177.536 178.683 -1.147 17588 8546 1 15 . 1 1 55 55 MET CA C 55 58.396 58.396 58.493 -0.097 17588 8547 1 15 . 1 1 55 55 MET CB C 55 34.228 34.228 32.445 1.783 17588 8548 1 15 . 1 1 55 55 MET H H 55 7.816 7.816 8.375 -0.559 17588 8549 1 15 . 1 1 56 56 ALA N N 56 122.295 122.295 122.213 0.082 17588 8550 1 15 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.336 -0.184 17588 8551 1 15 . 1 1 56 56 ALA C C 56 179.615 179.615 179.009 0.606 17588 8552 1 15 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.023 0.315 17588 8553 1 15 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.446 0.660 17588 8554 1 15 . 1 1 56 56 ALA H H 56 8.724 8.724 8.193 0.531 17588 8555 1 15 . 1 1 57 57 LYS N N 57 117.704 117.704 119.704 -2.000 17588 8556 1 15 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.170 -0.086 17588 8557 1 15 . 1 1 57 57 LYS C C 57 179.358 179.358 178.982 0.376 17588 8558 1 15 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.695 0.279 17588 8559 1 15 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.417 0.084 17588 8560 1 15 . 1 1 57 57 LYS H H 57 8.444 8.444 7.754 0.690 17588 8561 1 15 . 1 1 58 58 ALA N N 58 122.736 122.736 120.565 2.171 17588 8562 1 15 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.099 0.072 17588 8563 1 15 . 1 1 58 58 ALA C C 58 180.708 180.708 179.014 1.694 17588 8564 1 15 . 1 1 58 58 ALA CA C 58 55.111 55.111 54.771 0.340 17588 8565 1 15 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.505 -0.957 17588 8566 1 15 . 1 1 58 58 ALA H H 58 7.701 7.701 7.593 0.108 17588 8567 1 15 . 1 1 59 59 ILE N N 59 117.672 117.672 119.468 -1.796 17588 8568 1 15 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.997 -0.324 17588 8569 1 15 . 1 1 59 59 ILE C C 59 177.728 177.728 178.016 -0.288 17588 8570 1 15 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.305 -0.327 17588 8571 1 15 . 1 1 59 59 ILE CB C 59 37.813 37.813 38.182 -0.369 17588 8572 1 15 . 1 1 59 59 ILE H H 59 7.547 7.547 7.632 -0.085 17588 8573 1 15 . 1 1 60 60 MET N N 60 117.653 117.653 117.248 0.405 17588 8574 1 15 . 1 1 60 60 MET HA H 60 4.098 4.098 4.060 0.038 17588 8575 1 15 . 1 1 60 60 MET C C 60 178.085 178.085 177.508 0.577 17588 8576 1 15 . 1 1 60 60 MET CA C 60 58.060 58.060 58.118 -0.058 17588 8577 1 15 . 1 1 60 60 MET CB C 60 32.178 32.178 32.341 -0.163 17588 8578 1 15 . 1 1 60 60 MET H H 60 7.718 7.718 8.005 -0.287 17588 8579 1 15 . 1 1 61 61 ALA N N 61 118.874 118.874 120.291 -1.417 17588 8580 1 15 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.342 -0.068 17588 8581 1 15 . 1 1 61 61 ALA C C 61 177.758 177.758 177.621 0.137 17588 8582 1 15 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.952 0.490 17588 8583 1 15 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.808 -0.740 17588 8584 1 15 . 1 1 61 61 ALA H H 61 7.513 7.513 7.619 -0.106 17588 8585 1 15 . 1 1 62 62 ASP N N 62 115.735 115.735 119.445 -3.710 17588 8586 1 15 . 1 1 62 62 ASP HA H 62 4.933 4.933 4.942 -0.009 17588 8587 1 15 . 1 1 62 62 ASP C C 62 172.960 172.960 174.778 -1.818 17588 8588 1 15 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.811 -0.687 17588 8589 1 15 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.578 -0.194 17588 8590 1 15 . 1 1 62 62 ASP H H 62 7.615 7.615 7.850 -0.235 17588 8591 1 15 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.444 0.002 17588 8592 1 15 . 1 1 63 63 PRO C C 63 179.157 179.157 176.743 2.414 17588 8593 1 15 . 1 1 63 63 PRO CA C 63 64.399 64.399 63.927 0.472 17588 8594 1 15 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.061 0.199 17588 8595 1 15 . 1 1 64 64 ASN N N 64 115.566 115.566 115.199 0.367 17588 8596 1 15 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.673 -0.121 17588 8597 1 15 . 1 1 64 64 ASN C C 64 176.867 176.867 176.778 0.089 17588 8598 1 15 . 1 1 64 64 ASN CA C 64 55.321 55.321 54.500 0.821 17588 8599 1 15 . 1 1 64 64 ASN CB C 64 37.901 37.901 38.125 -0.224 17588 8600 1 15 . 1 1 64 64 ASN H H 64 8.094 8.094 8.401 -0.307 17588 8601 1 15 . 1 1 65 65 LYS N N 65 118.691 118.691 120.889 -2.198 17588 8602 1 15 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.048 0.130 17588 8603 1 15 . 1 1 65 65 LYS C C 65 175.844 175.844 178.033 -2.189 17588 8604 1 15 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.349 -2.115 17588 8605 1 15 . 1 1 65 65 LYS CB C 65 32.877 32.877 32.100 0.777 17588 8606 1 15 . 1 1 65 65 LYS H H 65 8.185 8.185 7.539 0.646 17588 8607 1 15 . 1 1 66 66 ALA N N 66 120.147 120.147 122.121 -1.974 17588 8608 1 15 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.371 -0.329 17588 8609 1 15 . 1 1 66 66 ALA C C 66 176.697 176.697 178.400 -1.703 17588 8610 1 15 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.549 0.263 17588 8611 1 15 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.707 0.527 17588 8612 1 15 . 1 1 66 66 ALA H H 66 7.233 7.233 7.892 -0.659 17588 8613 1 15 . 1 1 67 67 ASP N N 67 114.524 114.524 117.998 -3.474 17588 8614 1 15 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.415 -0.242 17588 8615 1 15 . 1 1 67 67 ASP C C 67 178.071 178.071 178.563 -0.492 17588 8616 1 15 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.726 0.642 17588 8617 1 15 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.081 0.563 17588 8618 1 15 . 1 1 67 67 ASP H H 67 8.114 8.114 8.195 -0.081 17588 8619 1 15 . 1 1 68 68 GLU N N 68 117.486 117.486 119.955 -2.469 17588 8620 1 15 . 1 1 68 68 GLU HA H 68 3.893 3.893 4.029 -0.136 17588 8621 1 15 . 1 1 68 68 GLU C C 68 178.885 178.885 178.747 0.138 17588 8622 1 15 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.786 -0.041 17588 8623 1 15 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.215 0.446 17588 8624 1 15 . 1 1 68 68 GLU H H 68 7.846 7.846 7.680 0.166 17588 8625 1 15 . 1 1 69 69 VAL N N 69 120.957 120.957 120.158 0.799 17588 8626 1 15 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.099 -0.053 17588 8627 1 15 . 1 1 69 69 VAL C C 69 176.618 176.618 177.871 -1.253 17588 8628 1 15 . 1 1 69 69 VAL CA C 69 66.453 66.453 66.265 0.188 17588 8629 1 15 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.278 0.761 17588 8630 1 15 . 1 1 69 69 VAL H H 69 7.325 7.325 7.706 -0.381 17588 8631 1 15 . 1 1 70 70 TYR N N 70 117.638 117.638 117.826 -0.188 17588 8632 1 15 . 1 1 70 70 TYR HA H 70 4.175 4.175 3.920 0.255 17588 8633 1 15 . 1 1 70 70 TYR C C 70 178.493 178.493 177.959 0.534 17588 8634 1 15 . 1 1 70 70 TYR CA C 70 57.481 57.481 61.621 -4.141 17588 8635 1 15 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.425 -2.562 17588 8636 1 15 . 1 1 70 70 TYR H H 70 8.483 8.483 8.068 0.415 17588 8637 1 15 . 1 1 71 71 LYS N N 71 117.283 117.283 118.209 -0.926 17588 8638 1 15 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.052 0.162 17588 8639 1 15 . 1 1 71 71 LYS C C 71 178.790 178.790 179.139 -0.349 17588 8640 1 15 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.470 0.323 17588 8641 1 15 . 1 1 71 71 LYS CB C 71 32.507 32.507 31.893 0.614 17588 8642 1 15 . 1 1 71 71 LYS H H 71 7.754 7.754 7.883 -0.129 17588 8643 1 15 . 1 1 72 72 LYS N N 72 120.053 120.053 120.427 -0.374 17588 8644 1 15 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.963 0.178 17588 8645 1 15 . 1 1 72 72 LYS C C 72 180.399 180.399 178.807 1.592 17588 8646 1 15 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.914 -0.186 17588 8647 1 15 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.356 -0.342 17588 8648 1 15 . 1 1 72 72 LYS H H 72 7.386 7.386 7.632 -0.246 17588 8649 1 15 . 1 1 73 73 TRP N N 73 121.910 121.910 120.228 1.682 17588 8650 1 15 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.311 0.202 17588 8651 1 15 . 1 1 73 73 TRP C C 73 177.981 177.981 178.951 -0.970 17588 8652 1 15 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.999 -2.084 17588 8653 1 15 . 1 1 73 73 TRP CB C 73 29.562 29.562 27.926 1.636 17588 8654 1 15 . 1 1 73 73 TRP H H 73 8.659 8.659 8.304 0.355 17588 8655 1 15 . 1 1 74 74 ALA N N 74 123.471 123.471 120.001 3.470 17588 8656 1 15 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.246 0.246 17588 8657 1 15 . 1 1 74 74 ALA C C 74 182.881 182.881 179.659 3.222 17588 8658 1 15 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.186 0.163 17588 8659 1 15 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.255 0.137 17588 8660 1 15 . 1 1 74 74 ALA H H 74 9.137 9.137 7.992 1.145 17588 8661 1 15 . 1 1 75 75 ASP N N 75 121.896 121.896 116.277 5.619 17588 8662 1 15 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.423 0.041 17588 8663 1 15 . 1 1 75 75 ASP C C 75 178.714 178.714 177.889 0.825 17588 8664 1 15 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.429 0.665 17588 8665 1 15 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.809 -0.224 17588 8666 1 15 . 1 1 75 75 ASP H H 75 8.804 8.804 7.669 1.135 17588 8667 1 15 . 1 1 76 76 LYS N N 76 118.966 118.966 117.023 1.943 17588 8668 1 15 . 1 1 76 76 LYS HA H 76 4.029 4.029 3.991 0.038 17588 8669 1 15 . 1 1 76 76 LYS C C 76 176.868 176.868 177.708 -0.840 17588 8670 1 15 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.582 -0.085 17588 8671 1 15 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.459 -0.774 17588 8672 1 15 . 1 1 76 76 LYS H H 76 7.630 7.630 8.111 -0.481 17588 8673 1 15 . 1 1 77 77 GLY N N 77 107.310 107.310 106.578 0.732 17588 8674 1 15 . 1 1 77 77 GLY C C 77 175.407 175.407 174.240 1.167 17588 8675 1 15 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.779 0.410 17588 8676 1 15 . 1 1 77 77 GLY H H 77 7.901 7.901 7.561 0.340 17588 8677 1 15 . 1 1 78 78 TYR N N 78 117.917 117.917 119.611 -1.694 17588 8678 1 15 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.855 0.437 17588 8679 1 15 . 1 1 78 78 TYR C C 78 178.422 178.422 175.672 2.750 17588 8680 1 15 . 1 1 78 78 TYR CA C 78 55.545 55.545 55.964 -0.419 17588 8681 1 15 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.521 -3.740 17588 8682 1 15 . 1 1 78 78 TYR H H 78 7.506 7.506 7.548 -0.042 17588 8683 1 15 . 1 1 79 79 THR N N 79 119.420 119.420 113.315 6.105 17588 8684 1 15 . 1 1 79 79 THR HA H 79 4.518 4.518 4.888 -0.370 17588 8685 1 15 . 1 1 79 79 THR C C 79 175.648 175.648 175.471 0.177 17588 8686 1 15 . 1 1 79 79 THR CA C 79 60.027 60.027 59.669 0.358 17588 8687 1 15 . 1 1 79 79 THR CB C 79 71.622 71.622 70.336 1.286 17588 8688 1 15 . 1 1 79 79 THR H H 79 8.957 8.957 8.477 0.480 17588 8689 1 15 . 1 1 80 80 LEU N N 80 119.655 119.655 122.953 -3.298 17588 8690 1 15 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.123 0.057 17588 8691 1 15 . 1 1 80 80 LEU C C 80 180.085 180.085 178.761 1.324 17588 8692 1 15 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.984 -0.071 17588 8693 1 15 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.724 -2.071 17588 8694 1 15 . 1 1 80 80 LEU H H 80 9.005 9.005 8.706 0.299 17588 8695 1 15 . 1 1 81 81 THR N N 81 115.259 115.259 113.690 1.569 17588 8696 1 15 . 1 1 81 81 THR HA H 81 3.939 3.939 3.929 0.010 17588 8697 1 15 . 1 1 81 81 THR C C 81 177.000 177.000 176.200 0.800 17588 8698 1 15 . 1 1 81 81 THR CA C 81 66.349 66.349 67.511 -1.162 17588 8699 1 15 . 1 1 81 81 THR CB C 81 68.591 68.591 68.290 0.301 17588 8700 1 15 . 1 1 81 81 THR H H 81 8.135 8.135 7.902 0.233 17588 8701 1 15 . 1 1 82 82 GLN N N 82 121.304 121.304 119.338 1.966 17588 8702 1 15 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.746 -0.093 17588 8703 1 15 . 1 1 82 82 GLN C C 82 178.354 178.354 177.930 0.424 17588 8704 1 15 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.388 0.252 17588 8705 1 15 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.201 0.713 17588 8706 1 15 . 1 1 82 82 GLN H H 82 7.641 7.641 8.196 -0.555 17588 8707 1 15 . 1 1 83 83 MET N N 83 117.464 117.464 119.238 -1.774 17588 8708 1 15 . 1 1 83 83 MET HA H 83 4.425 4.425 3.957 0.468 17588 8709 1 15 . 1 1 83 83 MET C C 83 177.906 177.906 178.221 -0.315 17588 8710 1 15 . 1 1 83 83 MET CA C 83 55.462 55.462 57.807 -2.345 17588 8711 1 15 . 1 1 83 83 MET CB C 83 29.014 29.014 32.007 -2.993 17588 8712 1 15 . 1 1 83 83 MET H H 83 8.665 8.665 8.449 0.216 17588 8713 1 15 . 1 1 84 84 SER N N 84 114.879 114.879 115.119 -0.240 17588 8714 1 15 . 1 1 84 84 SER HA H 84 3.689 3.689 3.826 -0.137 17588 8715 1 15 . 1 1 84 84 SER C C 84 176.666 176.666 175.911 0.755 17588 8716 1 15 . 1 1 84 84 SER CA C 84 61.347 61.347 61.994 -0.647 17588 8717 1 15 . 1 1 84 84 SER CB C 84 62.356 62.356 62.891 -0.535 17588 8718 1 15 . 1 1 84 84 SER H H 84 8.607 8.607 7.860 0.747 17588 8719 1 15 . 1 1 85 85 ASN N N 85 117.904 117.904 117.397 0.507 17588 8720 1 15 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.269 0.146 17588 8721 1 15 . 1 1 85 85 ASN C C 85 177.997 177.997 177.790 0.207 17588 8722 1 15 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.740 0.213 17588 8723 1 15 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.914 0.346 17588 8724 1 15 . 1 1 85 85 ASN H H 85 7.204 7.204 7.529 -0.325 17588 8725 1 15 . 1 1 86 86 PHE N N 86 118.316 118.316 117.482 0.834 17588 8726 1 15 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.280 0.148 17588 8727 1 15 . 1 1 86 86 PHE C C 86 177.478 177.478 176.943 0.535 17588 8728 1 15 . 1 1 86 86 PHE CA C 86 58.394 58.394 59.044 -0.650 17588 8729 1 15 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.750 0.085 17588 8730 1 15 . 1 1 86 86 PHE H H 86 8.367 8.367 7.459 0.908 17588 8731 1 15 . 1 1 87 87 LEU N N 87 112.533 112.533 117.281 -4.748 17588 8732 1 15 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.058 0.042 17588 8733 1 15 . 1 1 87 87 LEU C C 87 176.474 176.474 175.914 0.560 17588 8734 1 15 . 1 1 87 87 LEU CA C 87 54.549 54.549 54.835 -0.286 17588 8735 1 15 . 1 1 87 87 LEU CB C 87 41.371 41.371 40.891 0.480 17588 8736 1 15 . 1 1 87 87 LEU H H 87 7.778 7.778 7.579 0.199 17588 8737 1 15 . 1 1 88 88 LYS N N 88 119.798 119.798 120.281 -0.483 17588 8738 1 15 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.422 -0.174 17588 8739 1 15 . 1 1 88 88 LYS C C 88 176.594 176.594 175.792 0.802 17588 8740 1 15 . 1 1 88 88 LYS CA C 88 57.674 57.674 55.489 2.185 17588 8741 1 15 . 1 1 88 88 LYS CB C 88 32.671 32.671 31.209 1.462 17588 8742 1 15 . 1 1 88 88 LYS H H 88 7.328 7.328 7.420 -0.092 17588 8743 1 15 . 1 1 89 89 SER N N 89 117.937 117.937 118.257 -0.320 17588 8744 1 15 . 1 1 89 89 SER HA H 89 4.785 4.785 4.515 0.270 17588 8745 1 15 . 1 1 89 89 SER CA C 89 57.375 57.375 58.073 -0.698 17588 8746 1 15 . 1 1 89 89 SER CB C 89 64.838 64.838 63.417 1.421 17588 8747 1 15 . 1 1 89 89 SER H H 89 8.197 8.197 8.412 -0.215 17588 8748 1 15 . 1 1 90 90 LYS HA H 90 4.154 4.154 4.045 0.109 17588 8749 1 15 . 1 1 90 90 LYS C C 90 177.472 177.472 175.913 1.559 17588 8750 1 15 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.391 1.003 17588 8751 1 15 . 1 1 90 90 LYS CB C 90 31.767 31.767 31.371 0.396 17588 8752 1 15 . 1 1 90 90 LYS H H 90 7.981 7.981 7.770 0.211 17588 8753 1 15 . 1 1 91 91 THR N N 91 113.435 113.435 113.957 -0.522 17588 8754 1 15 . 1 1 91 91 THR HA H 91 4.342 4.342 4.383 -0.041 17588 8755 1 15 . 1 1 91 91 THR C C 91 174.236 174.236 174.035 0.201 17588 8756 1 15 . 1 1 91 91 THR CA C 91 61.203 61.203 62.077 -0.874 17588 8757 1 15 . 1 1 91 91 THR CB C 91 69.254 69.254 69.750 -0.496 17588 8758 1 15 . 1 1 91 91 THR H H 91 7.942 7.942 8.293 -0.351 17588 8759 1 15 . 1 1 92 92 ALA N N 92 129.685 129.685 123.049 6.636 17588 8760 1 15 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.219 -0.041 17588 8761 1 15 . 1 1 92 92 ALA C C 92 178.710 178.710 176.830 1.880 17588 8762 1 15 . 1 1 92 92 ALA CA C 92 53.583 53.583 52.337 1.246 17588 8763 1 15 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.032 0.049 17588 8764 1 15 . 1 1 92 92 ALA H H 92 8.603 8.603 7.817 0.786 17588 8765 1 15 . 1 1 93 93 GLY N N 93 109.919 109.919 105.686 4.233 17588 8766 1 15 . 1 1 93 93 GLY C C 93 176.310 176.310 173.284 3.026 17588 8767 1 15 . 1 1 93 93 GLY CA C 93 45.505 45.505 44.837 0.668 17588 8768 1 15 . 1 1 93 93 GLY H H 93 8.823 8.823 8.050 0.773 17588 8769 1 15 . 1 1 94 94 LYS N N 94 120.949 120.949 121.189 -0.240 17588 8770 1 15 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.544 -0.752 17588 8771 1 15 . 1 1 94 94 LYS C C 94 177.630 177.630 176.418 1.212 17588 8772 1 15 . 1 1 94 94 LYS CA C 94 59.606 59.606 54.984 4.622 17588 8773 1 15 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.879 -0.633 17588 8774 1 15 . 1 1 94 94 LYS H H 94 7.501 7.501 8.125 -0.624 17588 8775 1 15 . 1 1 95 95 TYR N N 95 113.034 113.034 119.288 -6.254 17588 8776 1 15 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.180 0.867 17588 8777 1 15 . 1 1 95 95 TYR C C 95 176.649 176.649 175.690 0.959 17588 8778 1 15 . 1 1 95 95 TYR CA C 95 56.936 56.936 58.460 -1.524 17588 8779 1 15 . 1 1 95 95 TYR CB C 95 39.000 39.000 36.571 2.429 17588 8780 1 15 . 1 1 95 95 TYR H H 95 8.670 8.670 8.756 -0.086 17588 8781 1 15 . 1 1 96 96 ASP N N 96 123.097 123.097 119.348 3.749 17588 8782 1 15 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.430 -0.101 17588 8783 1 15 . 1 1 96 96 ASP C C 96 178.087 178.087 178.008 0.079 17588 8784 1 15 . 1 1 96 96 ASP CA C 96 58.619 58.619 56.717 1.902 17588 8785 1 15 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.998 -1.428 17588 8786 1 15 . 1 1 96 96 ASP H H 96 7.756 7.756 8.696 -0.940 17588 8787 1 15 . 1 1 97 97 ARG N N 97 118.384 118.384 118.004 0.380 17588 8788 1 15 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.221 0.041 17588 8789 1 15 . 1 1 97 97 ARG C C 97 179.927 179.927 178.311 1.616 17588 8790 1 15 . 1 1 97 97 ARG CA C 97 59.746 59.746 58.951 0.795 17588 8791 1 15 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.551 0.243 17588 8792 1 15 . 1 1 97 97 ARG H H 97 8.897 8.897 8.665 0.232 17588 8793 1 15 . 1 1 98 98 VAL N N 98 119.642 119.642 119.213 0.429 17588 8794 1 15 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.216 -0.278 17588 8795 1 15 . 1 1 98 98 VAL C C 98 179.630 179.630 177.703 1.927 17588 8796 1 15 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.477 0.327 17588 8797 1 15 . 1 1 98 98 VAL CB C 98 32.054 32.054 32.531 -0.477 17588 8798 1 15 . 1 1 98 98 VAL H H 98 7.578 7.578 7.363 0.215 17588 8799 1 15 . 1 1 99 99 TYR N N 99 122.432 122.432 122.092 0.340 17588 8800 1 15 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.168 -0.234 17588 8801 1 15 . 1 1 99 99 TYR C C 99 176.400 176.400 177.364 -0.964 17588 8802 1 15 . 1 1 99 99 TYR CA C 99 62.906 62.906 62.361 0.545 17588 8803 1 15 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.577 -0.255 17588 8804 1 15 . 1 1 99 99 TYR H H 99 8.635 8.635 8.077 0.558 17588 8805 1 15 . 1 1 100 100 ASN N N 100 117.211 117.211 117.151 0.060 17588 8806 1 15 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.276 0.010 17588 8807 1 15 . 1 1 100 100 ASN C C 100 178.488 178.488 177.690 0.798 17588 8808 1 15 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.435 -0.579 17588 8809 1 15 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.638 0.211 17588 8810 1 15 . 1 1 100 100 ASN H H 100 9.024 9.024 8.525 0.499 17588 8811 1 15 . 1 1 101 101 GLY N N 101 105.413 105.413 108.477 -3.064 17588 8812 1 15 . 1 1 101 101 GLY C C 101 175.833 175.833 175.621 0.212 17588 8813 1 15 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.029 0.003 17588 8814 1 15 . 1 1 101 101 GLY H H 101 7.908 7.908 7.759 0.149 17588 8815 1 15 . 1 1 102 102 TYR N N 102 126.373 126.373 123.262 3.111 17588 8816 1 15 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.984 -0.517 17588 8817 1 15 . 1 1 102 102 TYR C C 102 176.016 176.016 177.600 -1.584 17588 8818 1 15 . 1 1 102 102 TYR CA C 102 59.553 59.553 59.687 -0.134 17588 8819 1 15 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.423 -0.533 17588 8820 1 15 . 1 1 102 102 TYR H H 102 7.581 7.581 7.726 -0.145 17588 8821 1 15 . 1 1 103 103 VAL N N 103 117.870 117.870 119.333 -1.463 17588 8822 1 15 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.206 -0.064 17588 8823 1 15 . 1 1 103 103 VAL C C 103 178.786 178.786 178.070 0.716 17588 8824 1 15 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.684 -0.107 17588 8825 1 15 . 1 1 103 103 VAL CB C 103 31.747 31.747 31.433 0.314 17588 8826 1 15 . 1 1 103 103 VAL H H 103 7.510 7.510 7.305 0.205 17588 8827 1 15 . 1 1 104 104 ILE N N 104 116.770 116.770 118.496 -1.726 17588 8828 1 15 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.561 0.131 17588 8829 1 15 . 1 1 104 104 ILE C C 104 178.703 178.703 178.363 0.340 17588 8830 1 15 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.781 -0.944 17588 8831 1 15 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.790 0.142 17588 8832 1 15 . 1 1 104 104 ILE H H 104 7.056 7.056 7.320 -0.264 17588 8833 1 15 . 1 1 105 105 HIS N N 105 121.324 121.324 120.058 1.266 17588 8834 1 15 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.120 -0.168 17588 8835 1 15 . 1 1 105 105 HIS C C 105 176.974 176.974 177.804 -0.830 17588 8836 1 15 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.902 0.248 17588 8837 1 15 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.686 0.839 17588 8838 1 15 . 1 1 105 105 HIS H H 105 7.864 7.864 7.724 0.140 17588 8839 1 15 . 1 1 106 106 LEU N N 106 115.126 115.126 119.330 -4.204 17588 8840 1 15 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.355 -0.520 17588 8841 1 15 . 1 1 106 106 LEU C C 106 177.315 177.315 178.206 -0.891 17588 8842 1 15 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.327 -1.620 17588 8843 1 15 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.734 0.307 17588 8844 1 15 . 1 1 106 106 LEU H H 106 7.517 7.517 7.847 -0.330 17588 8845 1 15 . 1 1 107 107 ASP N N 107 119.221 119.221 119.290 -0.069 17588 8846 1 15 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.381 0.120 17588 8847 1 15 . 1 1 107 107 ASP C C 107 175.224 175.224 176.732 -1.508 17588 8848 1 15 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.501 -0.883 17588 8849 1 15 . 1 1 107 107 ASP CB C 107 40.765 40.765 41.050 -0.285 17588 8850 1 15 . 1 1 107 107 ASP H H 107 7.512 7.512 7.924 -0.412 17588 8851 1 16 . 1 1 6 6 SER HA H 6 4.480 4.480 4.823 -0.343 17588 8852 1 16 . 1 1 6 6 SER C C 6 174.995 174.995 173.839 1.156 17588 8853 1 16 . 1 1 6 6 SER CA C 6 58.675 58.675 57.661 1.014 17588 8854 1 16 . 1 1 6 6 SER CB C 6 63.822 63.822 64.427 -0.605 17588 8855 1 16 . 1 1 7 7 GLY N N 7 110.458 110.458 109.301 1.157 17588 8856 1 16 . 1 1 7 7 GLY C C 7 173.853 173.853 172.851 1.002 17588 8857 1 16 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.263 0.084 17588 8858 1 16 . 1 1 7 7 GLY H H 7 8.394 8.394 8.434 -0.040 17588 8859 1 16 . 1 1 8 8 ASN N N 8 119.020 119.020 119.853 -0.833 17588 8860 1 16 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.838 -0.081 17588 8861 1 16 . 1 1 8 8 ASN C C 8 175.389 175.389 175.156 0.233 17588 8862 1 16 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.153 1.078 17588 8863 1 16 . 1 1 8 8 ASN CB C 8 38.959 38.959 39.601 -0.642 17588 8864 1 16 . 1 1 8 8 ASN H H 8 8.308 8.308 8.361 -0.053 17588 8865 1 16 . 1 1 9 9 VAL N N 9 120.281 120.281 122.076 -1.795 17588 8866 1 16 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.094 0.021 17588 8867 1 16 . 1 1 9 9 VAL C C 9 175.980 175.980 175.482 0.498 17588 8868 1 16 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.602 -0.135 17588 8869 1 16 . 1 1 9 9 VAL CB C 9 32.712 32.712 31.903 0.809 17588 8870 1 16 . 1 1 9 9 VAL H H 9 8.173 8.173 8.312 -0.139 17588 8871 1 16 . 1 1 10 10 ASP N N 10 123.840 123.840 129.298 -5.458 17588 8872 1 16 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.755 -0.131 17588 8873 1 16 . 1 1 10 10 ASP C C 10 176.599 176.599 176.284 0.315 17588 8874 1 16 . 1 1 10 10 ASP CA C 10 54.390 54.390 54.009 0.381 17588 8875 1 16 . 1 1 10 10 ASP CB C 10 41.343 41.343 42.052 -0.709 17588 8876 1 16 . 1 1 10 10 ASP H H 10 8.418 8.418 8.524 -0.106 17588 8877 1 16 . 1 1 11 11 SER N N 11 117.003 117.003 116.356 0.647 17588 8878 1 16 . 1 1 11 11 SER HA H 11 4.395 4.395 4.563 -0.168 17588 8879 1 16 . 1 1 11 11 SER C C 11 174.834 174.834 174.224 0.610 17588 8880 1 16 . 1 1 11 11 SER CA C 11 58.886 58.886 58.282 0.604 17588 8881 1 16 . 1 1 11 11 SER CB C 11 63.740 63.740 62.929 0.811 17588 8882 1 16 . 1 1 11 11 SER H H 11 8.312 8.312 8.342 -0.030 17588 8883 1 16 . 1 1 12 12 ASN N N 12 120.512 120.512 121.803 -1.291 17588 8884 1 16 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.604 0.081 17588 8885 1 16 . 1 1 12 12 ASN C C 12 175.646 175.646 174.806 0.840 17588 8886 1 16 . 1 1 12 12 ASN CA C 12 53.793 53.793 54.166 -0.373 17588 8887 1 16 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.098 -0.468 17588 8888 1 16 . 1 1 12 12 ASN H H 12 8.511 8.511 8.346 0.165 17588 8889 1 16 . 1 1 13 13 GLN N N 13 120.057 120.057 120.594 -0.537 17588 8890 1 16 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.150 0.088 17588 8891 1 16 . 1 1 13 13 GLN C C 13 175.988 175.988 174.766 1.222 17588 8892 1 16 . 1 1 13 13 GLN CA C 13 56.447 56.447 56.656 -0.209 17588 8893 1 16 . 1 1 13 13 GLN CB C 13 29.137 29.137 27.614 1.523 17588 8894 1 16 . 1 1 13 13 GLN H H 13 8.258 8.258 8.261 -0.003 17588 8895 1 16 . 1 1 14 14 ASN N N 14 119.323 119.323 122.887 -3.564 17588 8896 1 16 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.683 0.002 17588 8897 1 16 . 1 1 14 14 ASN C C 14 175.552 175.552 173.599 1.953 17588 8898 1 16 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.831 0.734 17588 8899 1 16 . 1 1 14 14 ASN CB C 14 38.763 38.763 39.194 -0.431 17588 8900 1 16 . 1 1 14 14 ASN H H 14 8.377 8.377 8.083 0.294 17588 8901 1 16 . 1 1 15 15 LYS N N 15 121.938 121.938 118.892 3.046 17588 8902 1 16 . 1 1 15 15 LYS HA H 15 4.214 4.214 3.938 0.276 17588 8903 1 16 . 1 1 15 15 LYS C C 15 176.933 176.933 175.537 1.396 17588 8904 1 16 . 1 1 15 15 LYS CA C 15 57.235 57.235 56.811 0.424 17588 8905 1 16 . 1 1 15 15 LYS CB C 15 32.753 32.753 30.768 1.985 17588 8906 1 16 . 1 1 15 15 LYS H H 15 8.224 8.224 8.662 -0.438 17588 8907 1 16 . 1 1 16 16 ALA N N 16 123.956 123.956 120.783 3.173 17588 8908 1 16 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.472 -0.198 17588 8909 1 16 . 1 1 16 16 ALA C C 16 178.593 178.593 178.005 0.588 17588 8910 1 16 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.687 1.755 17588 8911 1 16 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.209 -1.346 17588 8912 1 16 . 1 1 16 16 ALA H H 16 8.292 8.292 7.817 0.475 17588 8913 1 16 . 1 1 17 17 SER N N 17 114.462 114.462 117.483 -3.021 17588 8914 1 16 . 1 1 17 17 SER HA H 17 4.365 4.365 4.381 -0.016 17588 8915 1 16 . 1 1 17 17 SER C C 17 175.370 175.370 174.535 0.835 17588 8916 1 16 . 1 1 17 17 SER CA C 17 59.077 59.077 58.455 0.622 17588 8917 1 16 . 1 1 17 17 SER CB C 17 63.383 63.383 62.468 0.915 17588 8918 1 16 . 1 1 17 17 SER H H 17 8.200 8.200 8.684 -0.484 17588 8919 1 16 . 1 1 18 18 MET N N 18 121.999 121.999 125.814 -3.815 17588 8920 1 16 . 1 1 18 18 MET HA H 18 4.429 4.429 4.322 0.107 17588 8921 1 16 . 1 1 18 18 MET C C 18 176.829 176.829 177.348 -0.519 17588 8922 1 16 . 1 1 18 18 MET CA C 18 56.357 56.357 57.715 -1.358 17588 8923 1 16 . 1 1 18 18 MET CB C 18 32.630 32.630 32.740 -0.110 17588 8924 1 16 . 1 1 18 18 MET H H 18 8.214 8.214 8.146 0.068 17588 8925 1 16 . 1 1 19 19 LEU N N 19 122.083 122.083 118.873 3.210 17588 8926 1 16 . 1 1 19 19 LEU HA H 19 4.256 4.256 3.999 0.257 17588 8927 1 16 . 1 1 19 19 LEU C C 19 177.774 177.774 178.659 -0.885 17588 8928 1 16 . 1 1 19 19 LEU CA C 19 56.111 56.111 58.032 -1.921 17588 8929 1 16 . 1 1 19 19 LEU CB C 19 42.041 42.041 40.343 1.698 17588 8930 1 16 . 1 1 19 19 LEU H H 19 8.076 8.076 8.083 -0.007 17588 8931 1 16 . 1 1 20 20 GLN N N 20 120.123 120.123 119.118 1.005 17588 8932 1 16 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.038 0.169 17588 8933 1 16 . 1 1 20 20 GLN C C 20 176.166 176.166 176.119 0.047 17588 8934 1 16 . 1 1 20 20 GLN CA C 20 56.409 56.409 57.912 -1.503 17588 8935 1 16 . 1 1 20 20 GLN CB C 20 29.196 29.196 28.598 0.598 17588 8936 1 16 . 1 1 20 20 GLN H H 20 8.174 8.174 8.536 -0.362 17588 8937 1 16 . 1 1 21 21 ALA N N 21 124.216 124.216 121.826 2.390 17588 8938 1 16 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.510 -0.256 17588 8939 1 16 . 1 1 21 21 ALA C C 21 178.034 178.034 175.944 2.090 17588 8940 1 16 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.632 1.494 17588 8941 1 16 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.059 -0.988 17588 8942 1 16 . 1 1 21 21 ALA H H 21 8.151 8.151 7.844 0.307 17588 8943 1 16 . 1 1 22 22 ARG N N 22 119.591 119.591 121.139 -1.548 17588 8944 1 16 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.598 -0.290 17588 8945 1 16 . 1 1 22 22 ARG C C 22 176.750 176.750 174.988 1.762 17588 8946 1 16 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.478 0.948 17588 8947 1 16 . 1 1 22 22 ARG CB C 22 30.616 30.616 32.655 -2.039 17588 8948 1 16 . 1 1 22 22 ARG H H 22 8.147 8.147 8.472 -0.325 17588 8949 1 16 . 1 1 23 23 LEU N N 23 122.553 122.553 125.262 -2.709 17588 8950 1 16 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.564 -0.290 17588 8951 1 16 . 1 1 23 23 LEU C C 23 177.547 177.547 176.022 1.525 17588 8952 1 16 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.573 1.117 17588 8953 1 16 . 1 1 23 23 LEU CB C 23 42.082 42.082 42.425 -0.343 17588 8954 1 16 . 1 1 23 23 LEU H H 23 8.220 8.220 8.420 -0.200 17588 8955 1 16 . 1 1 24 24 ASN N N 24 118.666 118.666 124.447 -5.781 17588 8956 1 16 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.901 -0.228 17588 8957 1 16 . 1 1 24 24 ASN C C 24 175.246 175.246 174.134 1.112 17588 8958 1 16 . 1 1 24 24 ASN CA C 24 53.565 53.565 53.392 0.173 17588 8959 1 16 . 1 1 24 24 ASN CB C 24 38.836 38.836 40.333 -1.497 17588 8960 1 16 . 1 1 24 24 ASN H H 24 8.351 8.351 8.569 -0.218 17588 8961 1 16 . 1 1 25 25 ASP N N 25 120.897 120.897 123.130 -2.233 17588 8962 1 16 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.623 -0.047 17588 8963 1 16 . 1 1 25 25 ASP C C 25 176.732 176.732 175.535 1.197 17588 8964 1 16 . 1 1 25 25 ASP CA C 25 54.706 54.706 54.489 0.217 17588 8965 1 16 . 1 1 25 25 ASP CB C 25 41.219 41.219 41.581 -0.362 17588 8966 1 16 . 1 1 25 25 ASP H H 25 8.234 8.234 8.819 -0.585 17588 8967 1 16 . 1 1 26 26 GLU N N 26 121.168 121.168 120.480 0.688 17588 8968 1 16 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.276 -0.062 17588 8969 1 16 . 1 1 26 26 GLU C C 26 176.857 176.857 175.249 1.608 17588 8970 1 16 . 1 1 26 26 GLU CA C 26 57.247 57.247 56.637 0.610 17588 8971 1 16 . 1 1 26 26 GLU CB C 26 29.959 29.959 30.339 -0.380 17588 8972 1 16 . 1 1 26 26 GLU H H 26 8.368 8.368 8.060 0.308 17588 8973 1 16 . 1 1 27 27 ALA N N 27 124.100 124.100 126.212 -2.112 17588 8974 1 16 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.520 -0.203 17588 8975 1 16 . 1 1 27 27 ALA C C 27 178.520 178.520 177.612 0.908 17588 8976 1 16 . 1 1 27 27 ALA CA C 27 52.986 52.986 51.556 1.430 17588 8977 1 16 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.664 -0.719 17588 8978 1 16 . 1 1 27 27 ALA H H 27 8.289 8.289 8.338 -0.049 17588 8979 1 16 . 1 1 28 28 GLY N N 28 107.844 107.844 107.314 0.530 17588 8980 1 16 . 1 1 28 28 GLY C C 28 175.019 175.019 175.213 -0.194 17588 8981 1 16 . 1 1 28 28 GLY CA C 28 45.628 45.628 46.709 -1.081 17588 8982 1 16 . 1 1 28 28 GLY H H 28 8.315 8.315 9.418 -1.103 17588 8983 1 16 . 1 1 29 29 GLY N N 29 108.754 108.754 109.462 -0.708 17588 8984 1 16 . 1 1 29 29 GLY C C 29 174.659 174.659 173.287 1.372 17588 8985 1 16 . 1 1 29 29 GLY CA C 29 45.487 45.487 44.429 1.058 17588 8986 1 16 . 1 1 29 29 GLY H H 29 8.266 8.266 8.242 0.024 17588 8987 1 16 . 1 1 30 30 THR N N 30 114.068 114.068 115.282 -1.214 17588 8988 1 16 . 1 1 30 30 THR HA H 30 4.301 4.301 4.541 -0.240 17588 8989 1 16 . 1 1 30 30 THR C C 30 174.789 174.789 173.914 0.875 17588 8990 1 16 . 1 1 30 30 THR CA C 30 62.327 62.327 61.619 0.708 17588 8991 1 16 . 1 1 30 30 THR CB C 30 69.553 69.553 70.669 -1.116 17588 8992 1 16 . 1 1 30 30 THR H H 30 8.111 8.111 7.895 0.216 17588 8993 1 16 . 1 1 31 31 ARG N N 31 123.536 123.536 126.027 -2.491 17588 8994 1 16 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.691 -0.392 17588 8995 1 16 . 1 1 31 31 ARG C C 31 176.125 176.125 175.723 0.402 17588 8996 1 16 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.305 1.157 17588 8997 1 16 . 1 1 31 31 ARG CB C 31 30.657 30.657 31.380 -0.723 17588 8998 1 16 . 1 1 31 31 ARG H H 31 8.343 8.343 8.487 -0.144 17588 8999 1 16 . 1 1 32 32 LEU N N 32 122.865 122.865 123.876 -1.011 17588 9000 1 16 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.336 -0.017 17588 9001 1 16 . 1 1 32 32 LEU C C 32 177.036 177.036 176.397 0.639 17588 9002 1 16 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.678 0.555 17588 9003 1 16 . 1 1 32 32 LEU CB C 32 42.264 42.264 40.075 2.189 17588 9004 1 16 . 1 1 32 32 LEU H H 32 8.203 8.203 8.438 -0.235 17588 9005 1 16 . 1 1 33 33 LEU N N 33 123.054 123.054 122.731 0.323 17588 9006 1 16 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.667 -0.331 17588 9007 1 16 . 1 1 33 33 LEU C C 33 177.022 177.022 176.490 0.532 17588 9008 1 16 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.189 0.880 17588 9009 1 16 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.998 -0.710 17588 9010 1 16 . 1 1 33 33 LEU H H 33 8.150 8.150 7.742 0.408 17588 9011 1 16 . 1 1 34 34 ARG N N 34 122.226 122.226 120.042 2.184 17588 9012 1 16 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.603 -0.266 17588 9013 1 16 . 1 1 34 34 ARG C C 34 175.950 175.950 174.942 1.008 17588 9014 1 16 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.063 0.855 17588 9015 1 16 . 1 1 34 34 ARG CB C 34 30.781 30.781 32.367 -1.586 17588 9016 1 16 . 1 1 34 34 ARG H H 34 8.248 8.248 8.188 0.060 17588 9017 1 16 . 1 1 35 35 VAL N N 35 121.294 121.294 123.356 -2.062 17588 9018 1 16 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.045 -0.004 17588 9019 1 16 . 1 1 35 35 VAL C C 35 175.709 175.709 176.317 -0.608 17588 9020 1 16 . 1 1 35 35 VAL CA C 35 62.240 62.240 62.050 0.190 17588 9021 1 16 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.252 0.501 17588 9022 1 16 . 1 1 35 35 VAL H H 35 8.107 8.107 8.280 -0.173 17588 9023 1 16 . 1 1 36 36 HIS N N 36 123.522 123.522 126.432 -2.910 17588 9024 1 16 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.534 0.064 17588 9025 1 16 . 1 1 36 36 HIS C C 36 174.825 174.825 174.862 -0.037 17588 9026 1 16 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.420 -0.309 17588 9027 1 16 . 1 1 36 36 HIS CB C 36 30.944 30.944 30.447 0.497 17588 9028 1 16 . 1 1 36 36 HIS H H 36 8.410 8.410 8.498 -0.088 17588 9029 1 16 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.768 -0.168 17588 9030 1 16 . 1 1 37 37 HIS C C 37 175.173 175.173 175.016 0.157 17588 9031 1 16 . 1 1 37 37 HIS CA C 37 56.217 56.217 55.739 0.478 17588 9032 1 16 . 1 1 37 37 HIS CB C 37 31.027 31.027 30.962 0.065 17588 9033 1 16 . 1 1 38 38 GLU N N 38 122.826 122.826 122.131 0.695 17588 9034 1 16 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.586 -0.331 17588 9035 1 16 . 1 1 38 38 GLU C C 38 176.483 176.483 175.340 1.143 17588 9036 1 16 . 1 1 38 38 GLU CA C 38 56.919 56.919 55.519 1.400 17588 9037 1 16 . 1 1 38 38 GLU CB C 38 30.328 30.328 31.425 -1.097 17588 9038 1 16 . 1 1 38 38 GLU H H 38 8.569 8.569 8.036 0.533 17588 9039 1 16 . 1 1 39 39 SER N N 39 116.398 116.398 116.258 0.140 17588 9040 1 16 . 1 1 39 39 SER HA H 39 4.454 4.454 4.598 -0.144 17588 9041 1 16 . 1 1 39 39 SER C C 39 174.497 174.497 173.643 0.854 17588 9042 1 16 . 1 1 39 39 SER CA C 39 58.552 58.552 57.313 1.238 17588 9043 1 16 . 1 1 39 39 SER CB C 39 64.028 64.028 64.847 -0.819 17588 9044 1 16 . 1 1 39 39 SER H H 39 8.444 8.444 8.147 0.297 17588 9045 1 16 . 1 1 40 40 ASP N N 40 122.831 122.831 119.943 2.888 17588 9046 1 16 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.814 -0.142 17588 9047 1 16 . 1 1 40 40 ASP C C 40 176.783 176.783 175.615 1.168 17588 9048 1 16 . 1 1 40 40 ASP CA C 40 54.759 54.759 53.480 1.279 17588 9049 1 16 . 1 1 40 40 ASP CB C 40 41.014 41.014 41.523 -0.509 17588 9050 1 16 . 1 1 40 40 ASP H H 40 8.469 8.469 8.310 0.159 17588 9051 1 16 . 1 1 41 41 THR N N 41 113.679 113.679 117.767 -4.088 17588 9052 1 16 . 1 1 41 41 THR HA H 41 4.181 4.181 4.419 -0.238 17588 9053 1 16 . 1 1 41 41 THR C C 41 175.314 175.314 173.606 1.708 17588 9054 1 16 . 1 1 41 41 THR CA C 41 62.819 62.819 62.220 0.599 17588 9055 1 16 . 1 1 41 41 THR CB C 41 69.576 69.576 70.118 -0.542 17588 9056 1 16 . 1 1 41 41 THR H H 41 8.066 8.066 8.444 -0.378 17588 9057 1 16 . 1 1 42 42 GLU N N 42 122.776 122.776 127.263 -4.487 17588 9058 1 16 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.464 -0.256 17588 9059 1 16 . 1 1 42 42 GLU C C 42 177.129 177.129 175.926 1.203 17588 9060 1 16 . 1 1 42 42 GLU CA C 42 57.322 57.322 55.711 1.611 17588 9061 1 16 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.594 -0.594 17588 9062 1 16 . 1 1 42 42 GLU H H 42 8.343 8.343 8.588 -0.245 17588 9063 1 16 . 1 1 43 43 GLU N N 43 121.898 121.898 125.101 -3.203 17588 9064 1 16 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.489 -0.278 17588 9065 1 16 . 1 1 43 43 GLU C C 43 177.313 177.313 176.443 0.870 17588 9066 1 16 . 1 1 43 43 GLU CA C 43 57.453 57.453 56.099 1.354 17588 9067 1 16 . 1 1 43 43 GLU CB C 43 29.959 29.959 30.529 -0.570 17588 9068 1 16 . 1 1 43 43 GLU H H 43 8.397 8.397 8.770 -0.373 17588 9069 1 16 . 1 1 44 44 ARG N N 44 121.336 121.336 125.315 -3.979 17588 9070 1 16 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.526 -0.300 17588 9071 1 16 . 1 1 44 44 ARG C C 44 178.048 178.048 176.562 1.486 17588 9072 1 16 . 1 1 44 44 ARG CA C 44 57.779 57.779 55.779 2.000 17588 9073 1 16 . 1 1 44 44 ARG CB C 44 30.366 30.366 28.519 1.847 17588 9074 1 16 . 1 1 44 44 ARG H H 44 8.401 8.401 8.736 -0.335 17588 9075 1 16 . 1 1 45 45 GLY N N 45 109.098 109.098 109.494 -0.396 17588 9076 1 16 . 1 1 45 45 GLY C C 45 175.522 175.522 173.875 1.647 17588 9077 1 16 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.904 0.496 17588 9078 1 16 . 1 1 45 45 GLY H H 45 8.536 8.536 8.499 0.037 17588 9079 1 16 . 1 1 46 46 PHE N N 46 121.592 121.592 119.356 2.236 17588 9080 1 16 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.610 -0.193 17588 9081 1 16 . 1 1 46 46 PHE C C 46 177.561 177.561 176.023 1.538 17588 9082 1 16 . 1 1 46 46 PHE CA C 46 60.080 60.080 58.623 1.457 17588 9083 1 16 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.483 -0.571 17588 9084 1 16 . 1 1 46 46 PHE H H 46 8.071 8.071 7.901 0.170 17588 9085 1 16 . 1 1 47 47 LEU N N 47 121.344 121.344 119.684 1.660 17588 9086 1 16 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.781 0.261 17588 9087 1 16 . 1 1 47 47 LEU C C 47 179.621 179.621 178.643 0.978 17588 9088 1 16 . 1 1 47 47 LEU CA C 47 57.460 57.460 58.449 -0.989 17588 9089 1 16 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.001 0.636 17588 9090 1 16 . 1 1 47 47 LEU H H 47 8.215 8.215 8.491 -0.276 17588 9091 1 16 . 1 1 48 48 GLU N N 48 121.986 121.986 118.102 3.884 17588 9092 1 16 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.785 0.203 17588 9093 1 16 . 1 1 48 48 GLU C C 48 177.573 177.573 178.471 -0.898 17588 9094 1 16 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.901 -0.594 17588 9095 1 16 . 1 1 48 48 GLU CB C 48 29.648 29.648 28.713 0.935 17588 9096 1 16 . 1 1 48 48 GLU H H 48 8.225 8.225 8.635 -0.410 17588 9097 1 16 . 1 1 49 49 LYS N N 49 118.759 118.759 119.098 -0.339 17588 9098 1 16 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.587 -0.344 17588 9099 1 16 . 1 1 49 49 LYS C C 49 177.659 177.659 178.414 -0.755 17588 9100 1 16 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.664 0.222 17588 9101 1 16 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.189 0.113 17588 9102 1 16 . 1 1 49 49 LYS H H 49 7.790 7.790 7.692 0.098 17588 9103 1 16 . 1 1 50 50 ALA N N 50 120.023 120.023 120.677 -0.654 17588 9104 1 16 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.859 0.100 17588 9105 1 16 . 1 1 50 50 ALA C C 50 180.486 180.486 179.323 1.163 17588 9106 1 16 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.823 0.059 17588 9107 1 16 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.822 0.055 17588 9108 1 16 . 1 1 50 50 ALA H H 50 7.798 7.798 7.207 0.591 17588 9109 1 16 . 1 1 51 51 ALA N N 51 121.955 121.955 121.388 0.567 17588 9110 1 16 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.870 0.243 17588 9111 1 16 . 1 1 51 51 ALA C C 51 180.762 180.762 179.560 1.202 17588 9112 1 16 . 1 1 51 51 ALA CA C 51 55.111 55.111 54.987 0.124 17588 9113 1 16 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.040 0.001 17588 9114 1 16 . 1 1 51 51 ALA H H 51 7.809 7.809 7.409 0.400 17588 9115 1 16 . 1 1 52 52 VAL N N 52 120.415 120.415 119.020 1.395 17588 9116 1 16 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.568 0.082 17588 9117 1 16 . 1 1 52 52 VAL C C 52 178.567 178.567 178.265 0.302 17588 9118 1 16 . 1 1 52 52 VAL CA C 52 67.227 67.227 67.122 0.105 17588 9119 1 16 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.640 0.470 17588 9120 1 16 . 1 1 52 52 VAL H H 52 7.944 7.944 7.808 0.136 17588 9121 1 16 . 1 1 53 53 LYS N N 53 119.231 119.231 118.161 1.070 17588 9122 1 16 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.723 -0.159 17588 9123 1 16 . 1 1 53 53 LYS C C 53 178.546 178.546 179.058 -0.512 17588 9124 1 16 . 1 1 53 53 LYS CA C 53 60.720 60.720 58.955 1.765 17588 9125 1 16 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.727 0.524 17588 9126 1 16 . 1 1 53 53 LYS H H 53 8.132 8.132 7.824 0.308 17588 9127 1 16 . 1 1 54 54 LYS N N 54 119.514 119.514 120.254 -0.740 17588 9128 1 16 . 1 1 54 54 LYS HA H 54 3.993 3.993 4.098 -0.105 17588 9129 1 16 . 1 1 54 54 LYS C C 54 179.987 179.987 178.809 1.178 17588 9130 1 16 . 1 1 54 54 LYS CA C 54 60.237 60.237 58.643 1.594 17588 9131 1 16 . 1 1 54 54 LYS CB C 54 32.483 32.483 31.912 0.571 17588 9132 1 16 . 1 1 54 54 LYS H H 54 7.956 7.956 8.107 -0.151 17588 9133 1 16 . 1 1 55 55 MET N N 55 119.732 119.732 118.472 1.260 17588 9134 1 16 . 1 1 55 55 MET HA H 55 4.251 4.251 3.980 0.271 17588 9135 1 16 . 1 1 55 55 MET C C 55 177.536 177.536 178.478 -0.942 17588 9136 1 16 . 1 1 55 55 MET CA C 55 58.396 58.396 58.821 -0.425 17588 9137 1 16 . 1 1 55 55 MET CB C 55 34.228 34.228 32.303 1.925 17588 9138 1 16 . 1 1 55 55 MET H H 55 7.816 7.816 8.213 -0.397 17588 9139 1 16 . 1 1 56 56 ALA N N 56 122.295 122.295 121.933 0.362 17588 9140 1 16 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.087 0.065 17588 9141 1 16 . 1 1 56 56 ALA C C 56 179.615 179.615 179.292 0.323 17588 9142 1 16 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.184 0.154 17588 9143 1 16 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.117 0.989 17588 9144 1 16 . 1 1 56 56 ALA H H 56 8.724 8.724 8.637 0.087 17588 9145 1 16 . 1 1 57 57 LYS N N 57 117.704 117.704 119.146 -1.442 17588 9146 1 16 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.109 -0.025 17588 9147 1 16 . 1 1 57 57 LYS C C 57 179.358 179.358 178.769 0.589 17588 9148 1 16 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.645 0.329 17588 9149 1 16 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.447 0.055 17588 9150 1 16 . 1 1 57 57 LYS H H 57 8.444 8.444 7.784 0.660 17588 9151 1 16 . 1 1 58 58 ALA N N 58 122.736 122.736 120.726 2.010 17588 9152 1 16 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.032 0.139 17588 9153 1 16 . 1 1 58 58 ALA C C 58 180.708 180.708 179.189 1.519 17588 9154 1 16 . 1 1 58 58 ALA CA C 58 55.111 55.111 54.952 0.160 17588 9155 1 16 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.347 -0.799 17588 9156 1 16 . 1 1 58 58 ALA H H 58 7.701 7.701 7.647 0.054 17588 9157 1 16 . 1 1 59 59 ILE N N 59 117.672 117.672 118.930 -1.258 17588 9158 1 16 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.864 -0.191 17588 9159 1 16 . 1 1 59 59 ILE C C 59 177.728 177.728 178.573 -0.845 17588 9160 1 16 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.475 -0.497 17588 9161 1 16 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.924 -0.111 17588 9162 1 16 . 1 1 59 59 ILE H H 59 7.547 7.547 7.387 0.160 17588 9163 1 16 . 1 1 60 60 MET N N 60 117.653 117.653 117.599 0.054 17588 9164 1 16 . 1 1 60 60 MET HA H 60 4.098 4.098 3.921 0.177 17588 9165 1 16 . 1 1 60 60 MET C C 60 178.085 178.085 178.338 -0.253 17588 9166 1 16 . 1 1 60 60 MET CA C 60 58.060 58.060 58.599 -0.539 17588 9167 1 16 . 1 1 60 60 MET CB C 60 32.178 32.178 32.287 -0.109 17588 9168 1 16 . 1 1 60 60 MET H H 60 7.718 7.718 7.697 0.021 17588 9169 1 16 . 1 1 61 61 ALA N N 61 118.874 118.874 121.178 -2.304 17588 9170 1 16 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.251 0.023 17588 9171 1 16 . 1 1 61 61 ALA C C 61 177.758 177.758 178.039 -0.281 17588 9172 1 16 . 1 1 61 61 ALA CA C 61 53.442 53.442 53.211 0.231 17588 9173 1 16 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.413 -0.345 17588 9174 1 16 . 1 1 61 61 ALA H H 61 7.513 7.513 7.702 -0.189 17588 9175 1 16 . 1 1 62 62 ASP N N 62 115.735 115.735 119.007 -3.272 17588 9176 1 16 . 1 1 62 62 ASP HA H 62 4.933 4.933 4.927 0.006 17588 9177 1 16 . 1 1 62 62 ASP C C 62 172.960 172.960 174.571 -1.611 17588 9178 1 16 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.725 -0.601 17588 9179 1 16 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.350 0.034 17588 9180 1 16 . 1 1 62 62 ASP H H 62 7.615 7.615 7.824 -0.209 17588 9181 1 16 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.386 0.060 17588 9182 1 16 . 1 1 63 63 PRO C C 63 179.157 179.157 178.225 0.932 17588 9183 1 16 . 1 1 63 63 PRO CA C 63 64.399 64.399 65.351 -0.952 17588 9184 1 16 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.287 -0.027 17588 9185 1 16 . 1 1 64 64 ASN N N 64 115.566 115.566 117.388 -1.822 17588 9186 1 16 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.434 0.118 17588 9187 1 16 . 1 1 64 64 ASN C C 64 176.867 176.867 177.449 -0.582 17588 9188 1 16 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.831 -0.510 17588 9189 1 16 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.239 0.663 17588 9190 1 16 . 1 1 64 64 ASN H H 64 8.094 8.094 8.834 -0.740 17588 9191 1 16 . 1 1 65 65 LYS N N 65 118.691 118.691 119.828 -1.137 17588 9192 1 16 . 1 1 65 65 LYS HA H 65 4.178 4.178 3.997 0.181 17588 9193 1 16 . 1 1 65 65 LYS C C 65 175.844 175.844 178.072 -2.228 17588 9194 1 16 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.270 -2.036 17588 9195 1 16 . 1 1 65 65 LYS CB C 65 32.877 32.877 32.022 0.855 17588 9196 1 16 . 1 1 65 65 LYS H H 65 8.185 8.185 7.367 0.818 17588 9197 1 16 . 1 1 66 66 ALA N N 66 120.147 120.147 122.560 -2.413 17588 9198 1 16 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.386 -0.344 17588 9199 1 16 . 1 1 66 66 ALA C C 66 176.697 176.697 178.804 -2.107 17588 9200 1 16 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.450 0.362 17588 9201 1 16 . 1 1 66 66 ALA CB C 66 18.234 18.234 18.038 0.196 17588 9202 1 16 . 1 1 66 66 ALA H H 66 7.233 7.233 8.331 -1.098 17588 9203 1 16 . 1 1 67 67 ASP N N 67 114.524 114.524 118.503 -3.979 17588 9204 1 16 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.417 -0.244 17588 9205 1 16 . 1 1 67 67 ASP C C 67 178.071 178.071 178.201 -0.130 17588 9206 1 16 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.620 0.748 17588 9207 1 16 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.869 -0.225 17588 9208 1 16 . 1 1 67 67 ASP H H 67 8.114 8.114 8.120 -0.006 17588 9209 1 16 . 1 1 68 68 GLU N N 68 117.486 117.486 119.524 -2.038 17588 9210 1 16 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.957 -0.064 17588 9211 1 16 . 1 1 68 68 GLU C C 68 178.885 178.885 178.759 0.126 17588 9212 1 16 . 1 1 68 68 GLU CA C 68 58.745 58.745 59.058 -0.313 17588 9213 1 16 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.364 0.297 17588 9214 1 16 . 1 1 68 68 GLU H H 68 7.846 7.846 7.421 0.425 17588 9215 1 16 . 1 1 69 69 VAL N N 69 120.957 120.957 120.018 0.939 17588 9216 1 16 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.014 0.032 17588 9217 1 16 . 1 1 69 69 VAL C C 69 176.618 176.618 177.851 -1.233 17588 9218 1 16 . 1 1 69 69 VAL CA C 69 66.453 66.453 67.105 -0.652 17588 9219 1 16 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.651 0.388 17588 9220 1 16 . 1 1 69 69 VAL H H 69 7.325 7.325 8.163 -0.838 17588 9221 1 16 . 1 1 70 70 TYR N N 70 117.638 117.638 117.577 0.061 17588 9222 1 16 . 1 1 70 70 TYR HA H 70 4.175 4.175 3.984 0.191 17588 9223 1 16 . 1 1 70 70 TYR C C 70 178.493 178.493 178.306 0.187 17588 9224 1 16 . 1 1 70 70 TYR CA C 70 57.481 57.481 61.390 -3.909 17588 9225 1 16 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.782 -2.919 17588 9226 1 16 . 1 1 70 70 TYR H H 70 8.483 8.483 7.951 0.532 17588 9227 1 16 . 1 1 71 71 LYS N N 71 117.283 117.283 117.874 -0.591 17588 9228 1 16 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.011 0.203 17588 9229 1 16 . 1 1 71 71 LYS C C 71 178.790 178.790 179.190 -0.400 17588 9230 1 16 . 1 1 71 71 LYS CA C 71 59.793 59.793 58.983 0.810 17588 9231 1 16 . 1 1 71 71 LYS CB C 71 32.507 32.507 31.987 0.520 17588 9232 1 16 . 1 1 71 71 LYS H H 71 7.754 7.754 7.635 0.119 17588 9233 1 16 . 1 1 72 72 LYS N N 72 120.053 120.053 120.472 -0.419 17588 9234 1 16 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.958 0.183 17588 9235 1 16 . 1 1 72 72 LYS C C 72 180.399 180.399 178.927 1.472 17588 9236 1 16 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.985 -0.257 17588 9237 1 16 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.288 -0.274 17588 9238 1 16 . 1 1 72 72 LYS H H 72 7.386 7.386 8.140 -0.754 17588 9239 1 16 . 1 1 73 73 TRP N N 73 121.910 121.910 120.093 1.817 17588 9240 1 16 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.552 -0.039 17588 9241 1 16 . 1 1 73 73 TRP C C 73 177.981 177.981 179.094 -1.113 17588 9242 1 16 . 1 1 73 73 TRP CA C 73 57.915 57.915 60.203 -2.288 17588 9243 1 16 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.055 1.507 17588 9244 1 16 . 1 1 73 73 TRP H H 73 8.659 8.659 8.330 0.329 17588 9245 1 16 . 1 1 74 74 ALA N N 74 123.471 123.471 120.990 2.481 17588 9246 1 16 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.251 0.241 17588 9247 1 16 . 1 1 74 74 ALA C C 74 182.881 182.881 180.051 2.830 17588 9248 1 16 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.160 0.189 17588 9249 1 16 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.455 -0.063 17588 9250 1 16 . 1 1 74 74 ALA H H 74 9.137 9.137 8.082 1.055 17588 9251 1 16 . 1 1 75 75 ASP N N 75 121.896 121.896 118.079 3.817 17588 9252 1 16 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.501 -0.037 17588 9253 1 16 . 1 1 75 75 ASP C C 75 178.714 178.714 178.447 0.267 17588 9254 1 16 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.312 0.782 17588 9255 1 16 . 1 1 75 75 ASP CB C 75 40.585 40.585 41.017 -0.431 17588 9256 1 16 . 1 1 75 75 ASP H H 75 8.804 8.804 7.935 0.869 17588 9257 1 16 . 1 1 76 76 LYS N N 76 118.966 118.966 116.990 1.976 17588 9258 1 16 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.052 -0.023 17588 9259 1 16 . 1 1 76 76 LYS C C 76 176.868 176.868 177.985 -1.117 17588 9260 1 16 . 1 1 76 76 LYS CA C 76 56.497 56.497 57.186 -0.689 17588 9261 1 16 . 1 1 76 76 LYS CB C 76 31.685 31.685 33.084 -1.399 17588 9262 1 16 . 1 1 76 76 LYS H H 76 7.630 7.630 8.216 -0.586 17588 9263 1 16 . 1 1 77 77 GLY N N 77 107.310 107.310 105.092 2.218 17588 9264 1 16 . 1 1 77 77 GLY C C 77 175.407 175.407 173.859 1.548 17588 9265 1 16 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.671 0.518 17588 9266 1 16 . 1 1 77 77 GLY H H 77 7.901 7.901 7.941 -0.040 17588 9267 1 16 . 1 1 78 78 TYR N N 78 117.917 117.917 120.685 -2.768 17588 9268 1 16 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.924 0.368 17588 9269 1 16 . 1 1 78 78 TYR C C 78 178.422 178.422 174.841 3.581 17588 9270 1 16 . 1 1 78 78 TYR CA C 78 55.545 55.545 56.956 -1.411 17588 9271 1 16 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.248 -3.467 17588 9272 1 16 . 1 1 78 78 TYR H H 78 7.506 7.506 7.797 -0.291 17588 9273 1 16 . 1 1 79 79 THR N N 79 119.420 119.420 108.798 10.622 17588 9274 1 16 . 1 1 79 79 THR HA H 79 4.518 4.518 4.783 -0.265 17588 9275 1 16 . 1 1 79 79 THR C C 79 175.648 175.648 174.949 0.699 17588 9276 1 16 . 1 1 79 79 THR CA C 79 60.027 60.027 60.444 -0.417 17588 9277 1 16 . 1 1 79 79 THR CB C 79 71.622 71.622 71.456 0.166 17588 9278 1 16 . 1 1 79 79 THR H H 79 8.957 8.957 8.274 0.683 17588 9279 1 16 . 1 1 80 80 LEU N N 80 119.655 119.655 121.905 -2.250 17588 9280 1 16 . 1 1 80 80 LEU HA H 80 4.180 4.180 3.988 0.192 17588 9281 1 16 . 1 1 80 80 LEU C C 80 180.085 180.085 178.594 1.491 17588 9282 1 16 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.794 0.119 17588 9283 1 16 . 1 1 80 80 LEU CB C 80 39.653 39.653 40.959 -1.306 17588 9284 1 16 . 1 1 80 80 LEU H H 80 9.005 9.005 8.798 0.207 17588 9285 1 16 . 1 1 81 81 THR N N 81 115.259 115.259 112.559 2.700 17588 9286 1 16 . 1 1 81 81 THR HA H 81 3.939 3.939 3.986 -0.047 17588 9287 1 16 . 1 1 81 81 THR C C 81 177.000 177.000 176.576 0.424 17588 9288 1 16 . 1 1 81 81 THR CA C 81 66.349 66.349 66.096 0.253 17588 9289 1 16 . 1 1 81 81 THR CB C 81 68.591 68.591 68.124 0.467 17588 9290 1 16 . 1 1 81 81 THR H H 81 8.135 8.135 8.151 -0.016 17588 9291 1 16 . 1 1 82 82 GLN N N 82 121.304 121.304 119.943 1.361 17588 9292 1 16 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.835 -0.182 17588 9293 1 16 . 1 1 82 82 GLN C C 82 178.354 178.354 178.016 0.338 17588 9294 1 16 . 1 1 82 82 GLN CA C 82 58.640 58.640 57.662 0.978 17588 9295 1 16 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.109 0.805 17588 9296 1 16 . 1 1 82 82 GLN H H 82 7.641 7.641 7.512 0.129 17588 9297 1 16 . 1 1 83 83 MET N N 83 117.464 117.464 119.992 -2.528 17588 9298 1 16 . 1 1 83 83 MET HA H 83 4.425 4.425 3.955 0.470 17588 9299 1 16 . 1 1 83 83 MET C C 83 177.906 177.906 178.359 -0.453 17588 9300 1 16 . 1 1 83 83 MET CA C 83 55.462 55.462 58.028 -2.566 17588 9301 1 16 . 1 1 83 83 MET CB C 83 29.014 29.014 31.911 -2.897 17588 9302 1 16 . 1 1 83 83 MET H H 83 8.665 8.665 8.471 0.194 17588 9303 1 16 . 1 1 84 84 SER N N 84 114.879 114.879 114.582 0.297 17588 9304 1 16 . 1 1 84 84 SER HA H 84 3.689 3.689 3.834 -0.145 17588 9305 1 16 . 1 1 84 84 SER C C 84 176.666 176.666 175.871 0.795 17588 9306 1 16 . 1 1 84 84 SER CA C 84 61.347 61.347 61.807 -0.460 17588 9307 1 16 . 1 1 84 84 SER CB C 84 62.356 62.356 62.998 -0.642 17588 9308 1 16 . 1 1 84 84 SER H H 84 8.607 8.607 8.075 0.532 17588 9309 1 16 . 1 1 85 85 ASN N N 85 117.904 117.904 117.863 0.041 17588 9310 1 16 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.327 0.088 17588 9311 1 16 . 1 1 85 85 ASN C C 85 177.997 177.997 178.317 -0.320 17588 9312 1 16 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.674 0.279 17588 9313 1 16 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.968 0.292 17588 9314 1 16 . 1 1 85 85 ASN H H 85 7.204 7.204 7.550 -0.346 17588 9315 1 16 . 1 1 86 86 PHE N N 86 118.316 118.316 118.767 -0.451 17588 9316 1 16 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.267 0.161 17588 9317 1 16 . 1 1 86 86 PHE C C 86 177.478 177.478 176.741 0.737 17588 9318 1 16 . 1 1 86 86 PHE CA C 86 58.394 58.394 59.953 -1.559 17588 9319 1 16 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.875 -0.040 17588 9320 1 16 . 1 1 86 86 PHE H H 86 8.367 8.367 7.577 0.790 17588 9321 1 16 . 1 1 87 87 LEU N N 87 112.533 112.533 114.901 -2.368 17588 9322 1 16 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.236 -0.136 17588 9323 1 16 . 1 1 87 87 LEU C C 87 176.474 176.474 177.100 -0.626 17588 9324 1 16 . 1 1 87 87 LEU CA C 87 54.549 54.549 54.038 0.512 17588 9325 1 16 . 1 1 87 87 LEU CB C 87 41.371 41.371 40.766 0.605 17588 9326 1 16 . 1 1 87 87 LEU H H 87 7.778 7.778 8.115 -0.337 17588 9327 1 16 . 1 1 88 88 LYS N N 88 119.798 119.798 120.804 -1.006 17588 9328 1 16 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.205 0.043 17588 9329 1 16 . 1 1 88 88 LYS C C 88 176.594 176.594 176.369 0.225 17588 9330 1 16 . 1 1 88 88 LYS CA C 88 57.674 57.674 55.463 2.211 17588 9331 1 16 . 1 1 88 88 LYS CB C 88 32.671 32.671 30.327 2.344 17588 9332 1 16 . 1 1 88 88 LYS H H 88 7.328 7.328 7.809 -0.481 17588 9333 1 16 . 1 1 89 89 SER N N 89 117.937 117.937 115.436 2.501 17588 9334 1 16 . 1 1 89 89 SER HA H 89 4.785 4.785 4.317 0.468 17588 9335 1 16 . 1 1 89 89 SER CA C 89 57.375 57.375 60.202 -2.827 17588 9336 1 16 . 1 1 89 89 SER CB C 89 64.838 64.838 63.662 1.176 17588 9337 1 16 . 1 1 89 89 SER H H 89 8.197 8.197 8.142 0.055 17588 9338 1 16 . 1 1 90 90 LYS HA H 90 4.154 4.154 4.027 0.127 17588 9339 1 16 . 1 1 90 90 LYS C C 90 177.472 177.472 174.980 2.492 17588 9340 1 16 . 1 1 90 90 LYS CA C 90 58.394 58.394 56.875 1.519 17588 9341 1 16 . 1 1 90 90 LYS CB C 90 31.767 31.767 31.648 0.119 17588 9342 1 16 . 1 1 90 90 LYS H H 90 7.981 7.981 8.560 -0.579 17588 9343 1 16 . 1 1 91 91 THR N N 91 113.435 113.435 117.825 -4.390 17588 9344 1 16 . 1 1 91 91 THR HA H 91 4.342 4.342 4.438 -0.096 17588 9345 1 16 . 1 1 91 91 THR C C 91 174.236 174.236 174.229 0.007 17588 9346 1 16 . 1 1 91 91 THR CA C 91 61.203 61.203 61.926 -0.723 17588 9347 1 16 . 1 1 91 91 THR CB C 91 69.254 69.254 68.814 0.440 17588 9348 1 16 . 1 1 91 91 THR H H 91 7.942 7.942 7.798 0.144 17588 9349 1 16 . 1 1 92 92 ALA N N 92 129.685 129.685 129.182 0.503 17588 9350 1 16 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.051 0.127 17588 9351 1 16 . 1 1 92 92 ALA C C 92 178.710 178.710 177.901 0.809 17588 9352 1 16 . 1 1 92 92 ALA CA C 92 53.583 53.583 53.115 0.468 17588 9353 1 16 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.319 -0.238 17588 9354 1 16 . 1 1 92 92 ALA H H 92 8.603 8.603 8.817 -0.214 17588 9355 1 16 . 1 1 93 93 GLY N N 93 109.919 109.919 104.830 5.089 17588 9356 1 16 . 1 1 93 93 GLY C C 93 176.310 176.310 175.066 1.244 17588 9357 1 16 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.251 0.254 17588 9358 1 16 . 1 1 93 93 GLY H H 93 8.823 8.823 8.156 0.667 17588 9359 1 16 . 1 1 94 94 LYS N N 94 120.949 120.949 122.370 -1.421 17588 9360 1 16 . 1 1 94 94 LYS HA H 94 3.792 3.792 3.987 -0.195 17588 9361 1 16 . 1 1 94 94 LYS C C 94 177.630 177.630 176.624 1.006 17588 9362 1 16 . 1 1 94 94 LYS CA C 94 59.606 59.606 58.318 1.288 17588 9363 1 16 . 1 1 94 94 LYS CB C 94 33.246 33.246 32.797 0.449 17588 9364 1 16 . 1 1 94 94 LYS H H 94 7.501 7.501 8.402 -0.901 17588 9365 1 16 . 1 1 95 95 TYR N N 95 113.034 113.034 116.086 -3.052 17588 9366 1 16 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.753 0.294 17588 9367 1 16 . 1 1 95 95 TYR C C 95 176.649 176.649 175.429 1.220 17588 9368 1 16 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.563 0.373 17588 9369 1 16 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.380 1.621 17588 9370 1 16 . 1 1 95 95 TYR H H 95 8.670 8.670 8.326 0.344 17588 9371 1 16 . 1 1 96 96 ASP N N 96 123.097 123.097 121.786 1.311 17588 9372 1 16 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.495 -0.166 17588 9373 1 16 . 1 1 96 96 ASP C C 96 178.087 178.087 177.979 0.108 17588 9374 1 16 . 1 1 96 96 ASP CA C 96 58.619 58.619 56.801 1.818 17588 9375 1 16 . 1 1 96 96 ASP CB C 96 39.570 39.570 41.193 -1.623 17588 9376 1 16 . 1 1 96 96 ASP H H 96 7.756 7.756 8.064 -0.308 17588 9377 1 16 . 1 1 97 97 ARG N N 97 118.384 118.384 119.464 -1.080 17588 9378 1 16 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.276 -0.014 17588 9379 1 16 . 1 1 97 97 ARG C C 97 179.927 179.927 178.675 1.252 17588 9380 1 16 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.067 0.679 17588 9381 1 16 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.805 -0.011 17588 9382 1 16 . 1 1 97 97 ARG H H 97 8.897 8.897 8.629 0.268 17588 9383 1 16 . 1 1 98 98 VAL N N 98 119.642 119.642 118.866 0.776 17588 9384 1 16 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.053 -0.115 17588 9385 1 16 . 1 1 98 98 VAL C C 98 179.630 179.630 178.615 1.015 17588 9386 1 16 . 1 1 98 98 VAL CA C 98 65.804 65.804 66.332 -0.528 17588 9387 1 16 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.581 0.473 17588 9388 1 16 . 1 1 98 98 VAL H H 98 7.578 7.578 8.144 -0.566 17588 9389 1 16 . 1 1 99 99 TYR N N 99 122.432 122.432 121.044 1.388 17588 9390 1 16 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.170 -0.236 17588 9391 1 16 . 1 1 99 99 TYR C C 99 176.400 176.400 177.672 -1.272 17588 9392 1 16 . 1 1 99 99 TYR CA C 99 62.906 62.906 62.269 0.637 17588 9393 1 16 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.727 -0.405 17588 9394 1 16 . 1 1 99 99 TYR H H 99 8.635 8.635 8.007 0.628 17588 9395 1 16 . 1 1 100 100 ASN N N 100 117.211 117.211 117.886 -0.675 17588 9396 1 16 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.334 -0.048 17588 9397 1 16 . 1 1 100 100 ASN C C 100 178.488 178.488 178.043 0.445 17588 9398 1 16 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.466 -0.610 17588 9399 1 16 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.913 -0.064 17588 9400 1 16 . 1 1 100 100 ASN H H 100 9.024 9.024 8.558 0.466 17588 9401 1 16 . 1 1 101 101 GLY N N 101 105.413 105.413 107.951 -2.538 17588 9402 1 16 . 1 1 101 101 GLY C C 101 175.833 175.833 175.758 0.075 17588 9403 1 16 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.362 -0.330 17588 9404 1 16 . 1 1 101 101 GLY H H 101 7.908 7.908 8.188 -0.280 17588 9405 1 16 . 1 1 102 102 TYR N N 102 126.373 126.373 123.588 2.785 17588 9406 1 16 . 1 1 102 102 TYR HA H 102 3.467 3.467 4.229 -0.762 17588 9407 1 16 . 1 1 102 102 TYR C C 102 176.016 176.016 177.711 -1.695 17588 9408 1 16 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.144 -0.591 17588 9409 1 16 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.477 -0.587 17588 9410 1 16 . 1 1 102 102 TYR H H 102 7.581 7.581 7.629 -0.048 17588 9411 1 16 . 1 1 103 103 VAL N N 103 117.870 117.870 118.503 -0.633 17588 9412 1 16 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.329 -0.187 17588 9413 1 16 . 1 1 103 103 VAL C C 103 178.786 178.786 178.235 0.551 17588 9414 1 16 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.757 -0.180 17588 9415 1 16 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.931 0.816 17588 9416 1 16 . 1 1 103 103 VAL H H 103 7.510 7.510 7.614 -0.104 17588 9417 1 16 . 1 1 104 104 ILE N N 104 116.770 116.770 118.522 -1.752 17588 9418 1 16 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.858 -0.166 17588 9419 1 16 . 1 1 104 104 ILE C C 104 178.703 178.703 178.431 0.272 17588 9420 1 16 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.954 -1.117 17588 9421 1 16 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.645 0.287 17588 9422 1 16 . 1 1 104 104 ILE H H 104 7.056 7.056 7.514 -0.458 17588 9423 1 16 . 1 1 105 105 HIS N N 105 121.324 121.324 118.781 2.543 17588 9424 1 16 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.221 -0.269 17588 9425 1 16 . 1 1 105 105 HIS C C 105 176.974 176.974 177.124 -0.150 17588 9426 1 16 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.410 0.740 17588 9427 1 16 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.892 0.632 17588 9428 1 16 . 1 1 105 105 HIS H H 105 7.864 7.864 7.667 0.197 17588 9429 1 16 . 1 1 106 106 LEU N N 106 115.126 115.126 118.707 -3.581 17588 9430 1 16 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.439 -0.604 17588 9431 1 16 . 1 1 106 106 LEU C C 106 177.315 177.315 178.004 -0.689 17588 9432 1 16 . 1 1 106 106 LEU CA C 106 55.707 55.707 56.408 -0.701 17588 9433 1 16 . 1 1 106 106 LEU CB C 106 42.041 42.041 42.275 -0.234 17588 9434 1 16 . 1 1 106 106 LEU H H 106 7.517 7.517 7.832 -0.315 17588 9435 1 16 . 1 1 107 107 ASP N N 107 119.221 119.221 119.358 -0.137 17588 9436 1 16 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.377 0.124 17588 9437 1 16 . 1 1 107 107 ASP C C 107 175.224 175.224 177.069 -1.845 17588 9438 1 16 . 1 1 107 107 ASP CA C 107 54.618 54.618 56.073 -1.455 17588 9439 1 16 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.969 -0.204 17588 9440 1 16 . 1 1 107 107 ASP H H 107 7.512 7.512 7.881 -0.369 17588 9441 1 17 . 1 1 6 6 SER HA H 6 4.480 4.480 5.292 -0.812 17588 9442 1 17 . 1 1 6 6 SER C C 6 174.995 174.995 173.095 1.900 17588 9443 1 17 . 1 1 6 6 SER CA C 6 58.675 58.675 57.886 0.789 17588 9444 1 17 . 1 1 6 6 SER CB C 6 63.822 63.822 65.253 -1.431 17588 9445 1 17 . 1 1 7 7 GLY N N 7 110.458 110.458 109.332 1.126 17588 9446 1 17 . 1 1 7 7 GLY C C 7 173.853 173.853 172.312 1.541 17588 9447 1 17 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.529 0.818 17588 9448 1 17 . 1 1 7 7 GLY H H 7 8.394 8.394 8.868 -0.474 17588 9449 1 17 . 1 1 8 8 ASN N N 8 119.020 119.020 117.984 1.036 17588 9450 1 17 . 1 1 8 8 ASN HA H 8 4.757 4.757 5.289 -0.532 17588 9451 1 17 . 1 1 8 8 ASN C C 8 175.389 175.389 173.265 2.124 17588 9452 1 17 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.403 0.828 17588 9453 1 17 . 1 1 8 8 ASN CB C 8 38.959 38.959 41.150 -2.191 17588 9454 1 17 . 1 1 8 8 ASN H H 8 8.308 8.308 9.205 -0.897 17588 9455 1 17 . 1 1 9 9 VAL N N 9 120.281 120.281 119.318 0.963 17588 9456 1 17 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.504 -0.389 17588 9457 1 17 . 1 1 9 9 VAL C C 9 175.980 175.980 173.761 2.219 17588 9458 1 17 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.119 0.349 17588 9459 1 17 . 1 1 9 9 VAL CB C 9 32.712 32.712 34.377 -1.665 17588 9460 1 17 . 1 1 9 9 VAL H H 9 8.173 8.173 9.152 -0.979 17588 9461 1 17 . 1 1 10 10 ASP N N 10 123.840 123.840 124.440 -0.600 17588 9462 1 17 . 1 1 10 10 ASP HA H 10 4.624 4.624 5.131 -0.507 17588 9463 1 17 . 1 1 10 10 ASP C C 10 176.599 176.599 174.172 2.427 17588 9464 1 17 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.628 0.762 17588 9465 1 17 . 1 1 10 10 ASP CB C 10 41.343 41.343 43.334 -1.991 17588 9466 1 17 . 1 1 10 10 ASP H H 10 8.418 8.418 8.824 -0.406 17588 9467 1 17 . 1 1 11 11 SER N N 11 117.003 117.003 114.269 2.734 17588 9468 1 17 . 1 1 11 11 SER HA H 11 4.395 4.395 5.002 -0.607 17588 9469 1 17 . 1 1 11 11 SER C C 11 174.834 174.834 172.389 2.445 17588 9470 1 17 . 1 1 11 11 SER CA C 11 58.886 58.886 57.866 1.020 17588 9471 1 17 . 1 1 11 11 SER CB C 11 63.740 63.740 64.657 -0.917 17588 9472 1 17 . 1 1 11 11 SER H H 11 8.312 8.312 8.904 -0.592 17588 9473 1 17 . 1 1 12 12 ASN N N 12 120.512 120.512 118.887 1.625 17588 9474 1 17 . 1 1 12 12 ASN HA H 12 4.685 4.685 5.231 -0.546 17588 9475 1 17 . 1 1 12 12 ASN C C 12 175.646 175.646 173.216 2.430 17588 9476 1 17 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.264 1.529 17588 9477 1 17 . 1 1 12 12 ASN CB C 12 38.630 38.630 40.017 -1.387 17588 9478 1 17 . 1 1 12 12 ASN H H 12 8.511 8.511 8.722 -0.211 17588 9479 1 17 . 1 1 13 13 GLN N N 13 120.057 120.057 118.005 2.052 17588 9480 1 17 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.659 -0.421 17588 9481 1 17 . 1 1 13 13 GLN C C 13 175.988 175.988 173.855 2.133 17588 9482 1 17 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.171 1.276 17588 9483 1 17 . 1 1 13 13 GLN CB C 13 29.137 29.137 30.415 -1.278 17588 9484 1 17 . 1 1 13 13 GLN H H 13 8.258 8.258 8.453 -0.195 17588 9485 1 17 . 1 1 14 14 ASN N N 14 119.323 119.323 118.924 0.399 17588 9486 1 17 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.997 -0.312 17588 9487 1 17 . 1 1 14 14 ASN C C 14 175.552 175.552 173.510 2.042 17588 9488 1 17 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.400 1.165 17588 9489 1 17 . 1 1 14 14 ASN CB C 14 38.763 38.763 39.649 -0.886 17588 9490 1 17 . 1 1 14 14 ASN H H 14 8.377 8.377 8.447 -0.070 17588 9491 1 17 . 1 1 15 15 LYS N N 15 121.938 121.938 119.305 2.633 17588 9492 1 17 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.609 -0.395 17588 9493 1 17 . 1 1 15 15 LYS C C 15 176.933 176.933 175.579 1.354 17588 9494 1 17 . 1 1 15 15 LYS CA C 15 57.235 57.235 56.056 1.179 17588 9495 1 17 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.861 -1.108 17588 9496 1 17 . 1 1 15 15 LYS H H 15 8.224 8.224 8.523 -0.298 17588 9497 1 17 . 1 1 16 16 ALA N N 16 123.956 123.956 127.839 -3.883 17588 9498 1 17 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.532 -0.258 17588 9499 1 17 . 1 1 16 16 ALA C C 16 178.593 178.593 177.563 1.030 17588 9500 1 17 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.595 1.847 17588 9501 1 17 . 1 1 16 16 ALA CB C 16 18.863 18.863 19.416 -0.553 17588 9502 1 17 . 1 1 16 16 ALA H H 16 8.292 8.292 8.415 -0.123 17588 9503 1 17 . 1 1 17 17 SER N N 17 114.462 114.462 116.917 -2.455 17588 9504 1 17 . 1 1 17 17 SER HA H 17 4.365 4.365 4.602 -0.237 17588 9505 1 17 . 1 1 17 17 SER C C 17 175.370 175.370 173.457 1.913 17588 9506 1 17 . 1 1 17 17 SER CA C 17 59.077 59.077 58.200 0.877 17588 9507 1 17 . 1 1 17 17 SER CB C 17 63.383 63.383 63.078 0.305 17588 9508 1 17 . 1 1 17 17 SER H H 17 8.200 8.200 8.510 -0.310 17588 9509 1 17 . 1 1 18 18 MET N N 18 121.999 121.999 125.676 -3.677 17588 9510 1 17 . 1 1 18 18 MET HA H 18 4.429 4.429 4.353 0.076 17588 9511 1 17 . 1 1 18 18 MET C C 18 176.829 176.829 175.333 1.496 17588 9512 1 17 . 1 1 18 18 MET CA C 18 56.357 56.357 55.975 0.382 17588 9513 1 17 . 1 1 18 18 MET CB C 18 32.630 32.630 32.752 -0.122 17588 9514 1 17 . 1 1 18 18 MET H H 18 8.214 8.214 8.505 -0.291 17588 9515 1 17 . 1 1 19 19 LEU N N 19 122.083 122.083 126.061 -3.978 17588 9516 1 17 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.689 -0.433 17588 9517 1 17 . 1 1 19 19 LEU C C 19 177.774 177.774 174.890 2.884 17588 9518 1 17 . 1 1 19 19 LEU CA C 19 56.111 56.111 54.444 1.667 17588 9519 1 17 . 1 1 19 19 LEU CB C 19 42.041 42.041 44.014 -1.974 17588 9520 1 17 . 1 1 19 19 LEU H H 19 8.076 8.076 8.605 -0.529 17588 9521 1 17 . 1 1 20 20 GLN N N 20 120.123 120.123 123.305 -3.182 17588 9522 1 17 . 1 1 20 20 GLN HA H 20 4.207 4.207 5.229 -1.022 17588 9523 1 17 . 1 1 20 20 GLN C C 20 176.166 176.166 174.144 2.022 17588 9524 1 17 . 1 1 20 20 GLN CA C 20 56.409 56.409 54.895 1.514 17588 9525 1 17 . 1 1 20 20 GLN CB C 20 29.196 29.196 31.809 -2.613 17588 9526 1 17 . 1 1 20 20 GLN H H 20 8.174 8.174 8.868 -0.694 17588 9527 1 17 . 1 1 21 21 ALA N N 21 124.216 124.216 123.375 0.841 17588 9528 1 17 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.686 -0.432 17588 9529 1 17 . 1 1 21 21 ALA C C 21 178.034 178.034 176.055 1.979 17588 9530 1 17 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.492 1.634 17588 9531 1 17 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.343 -1.272 17588 9532 1 17 . 1 1 21 21 ALA H H 21 8.151 8.151 8.528 -0.377 17588 9533 1 17 . 1 1 22 22 ARG N N 22 119.591 119.591 121.506 -1.915 17588 9534 1 17 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.507 -0.199 17588 9535 1 17 . 1 1 22 22 ARG C C 22 176.750 176.750 175.865 0.885 17588 9536 1 17 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.834 0.593 17588 9537 1 17 . 1 1 22 22 ARG CB C 22 30.616 30.616 30.908 -0.292 17588 9538 1 17 . 1 1 22 22 ARG H H 22 8.147 8.147 8.420 -0.273 17588 9539 1 17 . 1 1 23 23 LEU N N 23 122.553 122.553 120.426 2.127 17588 9540 1 17 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.708 -0.434 17588 9541 1 17 . 1 1 23 23 LEU C C 23 177.547 177.547 175.823 1.724 17588 9542 1 17 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.939 0.751 17588 9543 1 17 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.063 -0.981 17588 9544 1 17 . 1 1 23 23 LEU H H 23 8.220 8.220 8.217 0.003 17588 9545 1 17 . 1 1 24 24 ASN N N 24 118.666 118.666 121.121 -2.455 17588 9546 1 17 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.708 -0.035 17588 9547 1 17 . 1 1 24 24 ASN C C 24 175.246 175.246 173.493 1.753 17588 9548 1 17 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.834 0.731 17588 9549 1 17 . 1 1 24 24 ASN CB C 24 38.836 38.836 40.802 -1.966 17588 9550 1 17 . 1 1 24 24 ASN H H 24 8.351 8.351 8.500 -0.149 17588 9551 1 17 . 1 1 25 25 ASP N N 25 120.897 120.897 123.614 -2.717 17588 9552 1 17 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.576 -0.000 17588 9553 1 17 . 1 1 25 25 ASP C C 25 176.732 176.732 175.712 1.020 17588 9554 1 17 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.826 0.880 17588 9555 1 17 . 1 1 25 25 ASP CB C 25 41.219 41.219 40.626 0.593 17588 9556 1 17 . 1 1 25 25 ASP H H 25 8.234 8.234 8.398 -0.164 17588 9557 1 17 . 1 1 26 26 GLU N N 26 121.168 121.168 122.974 -1.806 17588 9558 1 17 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.291 -0.077 17588 9559 1 17 . 1 1 26 26 GLU C C 26 176.857 176.857 176.683 0.174 17588 9560 1 17 . 1 1 26 26 GLU CA C 26 57.247 57.247 56.254 0.993 17588 9561 1 17 . 1 1 26 26 GLU CB C 26 29.959 29.959 30.828 -0.869 17588 9562 1 17 . 1 1 26 26 GLU H H 26 8.368 8.368 8.496 -0.128 17588 9563 1 17 . 1 1 27 27 ALA N N 27 124.100 124.100 127.013 -2.913 17588 9564 1 17 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.455 -0.138 17588 9565 1 17 . 1 1 27 27 ALA C C 27 178.520 178.520 177.653 0.867 17588 9566 1 17 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.148 0.838 17588 9567 1 17 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.244 -0.298 17588 9568 1 17 . 1 1 27 27 ALA H H 27 8.289 8.289 8.602 -0.313 17588 9569 1 17 . 1 1 28 28 GLY N N 28 107.844 107.844 108.250 -0.406 17588 9570 1 17 . 1 1 28 28 GLY C C 28 175.019 175.019 174.208 0.811 17588 9571 1 17 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.472 0.156 17588 9572 1 17 . 1 1 28 28 GLY H H 28 8.315 8.315 7.943 0.372 17588 9573 1 17 . 1 1 29 29 GLY N N 29 108.754 108.754 107.673 1.081 17588 9574 1 17 . 1 1 29 29 GLY C C 29 174.659 174.659 173.091 1.568 17588 9575 1 17 . 1 1 29 29 GLY CA C 29 45.487 45.487 44.919 0.568 17588 9576 1 17 . 1 1 29 29 GLY H H 29 8.266 8.266 8.326 -0.060 17588 9577 1 17 . 1 1 30 30 THR N N 30 114.068 114.068 113.770 0.298 17588 9578 1 17 . 1 1 30 30 THR HA H 30 4.301 4.301 4.629 -0.328 17588 9579 1 17 . 1 1 30 30 THR C C 30 174.789 174.789 174.210 0.579 17588 9580 1 17 . 1 1 30 30 THR CA C 30 62.327 62.327 61.392 0.935 17588 9581 1 17 . 1 1 30 30 THR CB C 30 69.553 69.553 70.747 -1.194 17588 9582 1 17 . 1 1 30 30 THR H H 30 8.111 8.111 8.069 0.042 17588 9583 1 17 . 1 1 31 31 ARG N N 31 123.536 123.536 126.113 -2.577 17588 9584 1 17 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.216 0.083 17588 9585 1 17 . 1 1 31 31 ARG C C 31 176.125 176.125 174.961 1.164 17588 9586 1 17 . 1 1 31 31 ARG CA C 31 56.462 56.462 56.806 -0.343 17588 9587 1 17 . 1 1 31 31 ARG CB C 31 30.657 30.657 30.878 -0.221 17588 9588 1 17 . 1 1 31 31 ARG H H 31 8.343 8.343 8.329 0.014 17588 9589 1 17 . 1 1 32 32 LEU N N 32 122.865 122.865 121.237 1.628 17588 9590 1 17 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.598 -0.279 17588 9591 1 17 . 1 1 32 32 LEU C C 32 177.036 177.036 176.495 0.541 17588 9592 1 17 . 1 1 32 32 LEU CA C 32 55.233 55.233 53.968 1.265 17588 9593 1 17 . 1 1 32 32 LEU CB C 32 42.264 42.264 43.551 -1.287 17588 9594 1 17 . 1 1 32 32 LEU H H 32 8.203 8.203 8.195 0.008 17588 9595 1 17 . 1 1 33 33 LEU N N 33 123.054 123.054 123.171 -0.117 17588 9596 1 17 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.713 -0.377 17588 9597 1 17 . 1 1 33 33 LEU C C 33 177.022 177.022 176.655 0.367 17588 9598 1 17 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.541 0.528 17588 9599 1 17 . 1 1 33 33 LEU CB C 33 42.288 42.288 43.674 -1.386 17588 9600 1 17 . 1 1 33 33 LEU H H 33 8.150 8.150 8.314 -0.164 17588 9601 1 17 . 1 1 34 34 ARG N N 34 122.226 122.226 125.457 -3.231 17588 9602 1 17 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.533 -0.196 17588 9603 1 17 . 1 1 34 34 ARG C C 34 175.950 175.950 175.120 0.830 17588 9604 1 17 . 1 1 34 34 ARG CA C 34 55.918 55.918 56.084 -0.166 17588 9605 1 17 . 1 1 34 34 ARG CB C 34 30.781 30.781 30.718 0.063 17588 9606 1 17 . 1 1 34 34 ARG H H 34 8.248 8.248 8.420 -0.172 17588 9607 1 17 . 1 1 35 35 VAL N N 35 121.294 121.294 120.670 0.624 17588 9608 1 17 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.221 -0.180 17588 9609 1 17 . 1 1 35 35 VAL C C 35 175.709 175.709 175.649 0.060 17588 9610 1 17 . 1 1 35 35 VAL CA C 35 62.240 62.240 61.698 0.542 17588 9611 1 17 . 1 1 35 35 VAL CB C 35 32.753 32.753 35.071 -2.318 17588 9612 1 17 . 1 1 35 35 VAL H H 35 8.107 8.107 7.991 0.116 17588 9613 1 17 . 1 1 36 36 HIS N N 36 123.522 123.522 125.136 -1.614 17588 9614 1 17 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.484 0.114 17588 9615 1 17 . 1 1 36 36 HIS C C 36 174.825 174.825 174.511 0.314 17588 9616 1 17 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.942 -0.831 17588 9617 1 17 . 1 1 36 36 HIS CB C 36 30.944 30.944 29.605 1.339 17588 9618 1 17 . 1 1 36 36 HIS H H 36 8.410 8.410 8.284 0.126 17588 9619 1 17 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.755 -0.155 17588 9620 1 17 . 1 1 37 37 HIS C C 37 175.173 175.173 174.369 0.804 17588 9621 1 17 . 1 1 37 37 HIS CA C 37 56.217 56.217 55.119 1.098 17588 9622 1 17 . 1 1 37 37 HIS CB C 37 31.027 31.027 31.616 -0.588 17588 9623 1 17 . 1 1 38 38 GLU N N 38 122.826 122.826 124.912 -2.086 17588 9624 1 17 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.428 -0.173 17588 9625 1 17 . 1 1 38 38 GLU C C 38 176.483 176.483 176.547 -0.064 17588 9626 1 17 . 1 1 38 38 GLU CA C 38 56.919 56.919 56.023 0.896 17588 9627 1 17 . 1 1 38 38 GLU CB C 38 30.328 30.328 29.320 1.008 17588 9628 1 17 . 1 1 38 38 GLU H H 38 8.569 8.569 8.906 -0.338 17588 9629 1 17 . 1 1 39 39 SER N N 39 116.398 116.398 119.716 -3.318 17588 9630 1 17 . 1 1 39 39 SER HA H 39 4.454 4.454 4.525 -0.071 17588 9631 1 17 . 1 1 39 39 SER C C 39 174.497 174.497 173.574 0.923 17588 9632 1 17 . 1 1 39 39 SER CA C 39 58.552 58.552 58.939 -0.387 17588 9633 1 17 . 1 1 39 39 SER CB C 39 64.028 64.028 63.515 0.513 17588 9634 1 17 . 1 1 39 39 SER H H 39 8.444 8.444 8.704 -0.260 17588 9635 1 17 . 1 1 40 40 ASP N N 40 122.831 122.831 120.361 2.470 17588 9636 1 17 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.644 0.028 17588 9637 1 17 . 1 1 40 40 ASP C C 40 176.783 176.783 174.728 2.055 17588 9638 1 17 . 1 1 40 40 ASP CA C 40 54.759 54.759 54.252 0.506 17588 9639 1 17 . 1 1 40 40 ASP CB C 40 41.014 41.014 42.331 -1.317 17588 9640 1 17 . 1 1 40 40 ASP H H 40 8.469 8.469 7.328 1.141 17588 9641 1 17 . 1 1 41 41 THR N N 41 113.679 113.679 118.247 -4.568 17588 9642 1 17 . 1 1 41 41 THR HA H 41 4.181 4.181 4.586 -0.405 17588 9643 1 17 . 1 1 41 41 THR C C 41 175.314 175.314 173.908 1.406 17588 9644 1 17 . 1 1 41 41 THR CA C 41 62.819 62.819 61.684 1.135 17588 9645 1 17 . 1 1 41 41 THR CB C 41 69.576 69.576 68.797 0.779 17588 9646 1 17 . 1 1 41 41 THR H H 41 8.066 8.066 8.231 -0.165 17588 9647 1 17 . 1 1 42 42 GLU N N 42 122.776 122.776 122.038 0.738 17588 9648 1 17 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.339 -0.131 17588 9649 1 17 . 1 1 42 42 GLU C C 42 177.129 177.129 178.007 -0.878 17588 9650 1 17 . 1 1 42 42 GLU CA C 42 57.322 57.322 55.821 1.501 17588 9651 1 17 . 1 1 42 42 GLU CB C 42 30.000 30.000 31.290 -1.290 17588 9652 1 17 . 1 1 42 42 GLU H H 42 8.343 8.343 7.638 0.705 17588 9653 1 17 . 1 1 43 43 GLU N N 43 121.898 121.898 123.744 -1.846 17588 9654 1 17 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.046 0.165 17588 9655 1 17 . 1 1 43 43 GLU C C 43 177.313 177.313 178.394 -1.081 17588 9656 1 17 . 1 1 43 43 GLU CA C 43 57.453 57.453 59.690 -2.237 17588 9657 1 17 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.410 0.549 17588 9658 1 17 . 1 1 43 43 GLU H H 43 8.397 8.397 8.977 -0.580 17588 9659 1 17 . 1 1 44 44 ARG N N 44 121.336 121.336 120.011 1.325 17588 9660 1 17 . 1 1 44 44 ARG HA H 44 4.226 4.226 3.963 0.263 17588 9661 1 17 . 1 1 44 44 ARG C C 44 178.048 178.048 178.540 -0.492 17588 9662 1 17 . 1 1 44 44 ARG CA C 44 57.779 57.779 58.663 -0.884 17588 9663 1 17 . 1 1 44 44 ARG CB C 44 30.366 30.366 28.902 1.464 17588 9664 1 17 . 1 1 44 44 ARG H H 44 8.401 8.401 8.239 0.162 17588 9665 1 17 . 1 1 45 45 GLY N N 45 109.098 109.098 106.964 2.134 17588 9666 1 17 . 1 1 45 45 GLY C C 45 175.522 175.522 175.739 -0.217 17588 9667 1 17 . 1 1 45 45 GLY CA C 45 46.400 46.400 46.304 0.096 17588 9668 1 17 . 1 1 45 45 GLY H H 45 8.536 8.536 8.192 0.344 17588 9669 1 17 . 1 1 46 46 PHE N N 46 121.592 121.592 123.470 -1.878 17588 9670 1 17 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.128 0.289 17588 9671 1 17 . 1 1 46 46 PHE C C 46 177.561 177.561 177.002 0.559 17588 9672 1 17 . 1 1 46 46 PHE CA C 46 60.080 60.080 60.787 -0.707 17588 9673 1 17 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.064 -0.153 17588 9674 1 17 . 1 1 46 46 PHE H H 46 8.071 8.071 7.656 0.415 17588 9675 1 17 . 1 1 47 47 LEU N N 47 121.344 121.344 118.924 2.420 17588 9676 1 17 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.233 0.809 17588 9677 1 17 . 1 1 47 47 LEU C C 47 179.621 179.621 178.506 1.115 17588 9678 1 17 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.963 -0.503 17588 9679 1 17 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.326 0.311 17588 9680 1 17 . 1 1 47 47 LEU H H 47 8.215 8.215 8.348 -0.133 17588 9681 1 17 . 1 1 48 48 GLU N N 48 121.986 121.986 118.745 3.241 17588 9682 1 17 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.632 0.356 17588 9683 1 17 . 1 1 48 48 GLU C C 48 177.573 177.573 178.158 -0.585 17588 9684 1 17 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.435 -0.128 17588 9685 1 17 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.099 0.548 17588 9686 1 17 . 1 1 48 48 GLU H H 48 8.225 8.225 7.770 0.455 17588 9687 1 17 . 1 1 49 49 LYS N N 49 118.759 118.759 118.626 0.133 17588 9688 1 17 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.382 -0.139 17588 9689 1 17 . 1 1 49 49 LYS C C 49 177.659 177.659 178.430 -0.771 17588 9690 1 17 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.275 0.611 17588 9691 1 17 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.286 0.016 17588 9692 1 17 . 1 1 49 49 LYS H H 49 7.790 7.790 8.041 -0.251 17588 9693 1 17 . 1 1 50 50 ALA N N 50 120.023 120.023 121.164 -1.141 17588 9694 1 17 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.836 0.123 17588 9695 1 17 . 1 1 50 50 ALA C C 50 180.486 180.486 179.310 1.176 17588 9696 1 17 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.794 0.088 17588 9697 1 17 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.633 0.244 17588 9698 1 17 . 1 1 50 50 ALA H H 50 7.798 7.798 7.737 0.061 17588 9699 1 17 . 1 1 51 51 ALA N N 51 121.955 121.955 121.708 0.247 17588 9700 1 17 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.887 0.226 17588 9701 1 17 . 1 1 51 51 ALA C C 51 180.762 180.762 179.447 1.315 17588 9702 1 17 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.124 -0.013 17588 9703 1 17 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.024 0.017 17588 9704 1 17 . 1 1 51 51 ALA H H 51 7.809 7.809 7.904 -0.095 17588 9705 1 17 . 1 1 52 52 VAL N N 52 120.415 120.415 118.540 1.875 17588 9706 1 17 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.679 -0.029 17588 9707 1 17 . 1 1 52 52 VAL C C 52 178.567 178.567 178.544 0.023 17588 9708 1 17 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.070 1.157 17588 9709 1 17 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.120 0.990 17588 9710 1 17 . 1 1 52 52 VAL H H 52 7.944 7.944 7.302 0.642 17588 9711 1 17 . 1 1 53 53 LYS N N 53 119.231 119.231 119.007 0.224 17588 9712 1 17 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.748 -0.184 17588 9713 1 17 . 1 1 53 53 LYS C C 53 178.546 178.546 179.030 -0.484 17588 9714 1 17 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.033 1.687 17588 9715 1 17 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.747 0.504 17588 9716 1 17 . 1 1 53 53 LYS H H 53 8.132 8.132 7.899 0.233 17588 9717 1 17 . 1 1 54 54 LYS N N 54 119.514 119.514 119.408 0.106 17588 9718 1 17 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.838 0.155 17588 9719 1 17 . 1 1 54 54 LYS C C 54 179.987 179.987 179.020 0.967 17588 9720 1 17 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.847 0.390 17588 9721 1 17 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.242 0.241 17588 9722 1 17 . 1 1 54 54 LYS H H 54 7.956 7.956 8.211 -0.255 17588 9723 1 17 . 1 1 55 55 MET N N 55 119.732 119.732 116.757 2.975 17588 9724 1 17 . 1 1 55 55 MET HA H 55 4.251 4.251 4.005 0.246 17588 9725 1 17 . 1 1 55 55 MET C C 55 177.536 177.536 178.246 -0.710 17588 9726 1 17 . 1 1 55 55 MET CA C 55 58.396 58.396 58.288 0.108 17588 9727 1 17 . 1 1 55 55 MET CB C 55 34.228 34.228 31.372 2.856 17588 9728 1 17 . 1 1 55 55 MET H H 55 7.816 7.816 7.964 -0.148 17588 9729 1 17 . 1 1 56 56 ALA N N 56 122.295 122.295 122.252 0.043 17588 9730 1 17 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.023 0.129 17588 9731 1 17 . 1 1 56 56 ALA C C 56 179.615 179.615 179.655 -0.040 17588 9732 1 17 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.259 0.079 17588 9733 1 17 . 1 1 56 56 ALA CB C 56 19.106 19.106 17.903 1.203 17588 9734 1 17 . 1 1 56 56 ALA H H 56 8.724 8.724 7.560 1.164 17588 9735 1 17 . 1 1 57 57 LYS N N 57 117.704 117.704 119.312 -1.608 17588 9736 1 17 . 1 1 57 57 LYS HA H 57 4.084 4.084 3.937 0.147 17588 9737 1 17 . 1 1 57 57 LYS C C 57 179.358 179.358 178.760 0.598 17588 9738 1 17 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.676 0.298 17588 9739 1 17 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.187 0.314 17588 9740 1 17 . 1 1 57 57 LYS H H 57 8.444 8.444 7.659 0.785 17588 9741 1 17 . 1 1 58 58 ALA N N 58 122.736 122.736 120.696 2.040 17588 9742 1 17 . 1 1 58 58 ALA HA H 58 4.171 4.171 3.988 0.183 17588 9743 1 17 . 1 1 58 58 ALA C C 58 180.708 180.708 179.608 1.100 17588 9744 1 17 . 1 1 58 58 ALA CA C 58 55.111 55.111 54.950 0.161 17588 9745 1 17 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.049 -0.501 17588 9746 1 17 . 1 1 58 58 ALA H H 58 7.701 7.701 7.552 0.149 17588 9747 1 17 . 1 1 59 59 ILE N N 59 117.672 117.672 118.759 -1.087 17588 9748 1 17 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.854 -0.181 17588 9749 1 17 . 1 1 59 59 ILE C C 59 177.728 177.728 178.340 -0.612 17588 9750 1 17 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.510 -0.532 17588 9751 1 17 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.990 -0.177 17588 9752 1 17 . 1 1 59 59 ILE H H 59 7.547 7.547 7.564 -0.017 17588 9753 1 17 . 1 1 60 60 MET N N 60 117.653 117.653 117.058 0.595 17588 9754 1 17 . 1 1 60 60 MET HA H 60 4.098 4.098 4.069 0.029 17588 9755 1 17 . 1 1 60 60 MET C C 60 178.085 178.085 178.257 -0.172 17588 9756 1 17 . 1 1 60 60 MET CA C 60 58.060 58.060 58.063 -0.003 17588 9757 1 17 . 1 1 60 60 MET CB C 60 32.178 32.178 31.938 0.240 17588 9758 1 17 . 1 1 60 60 MET H H 60 7.718 7.718 8.021 -0.303 17588 9759 1 17 . 1 1 61 61 ALA N N 61 118.874 118.874 121.119 -2.245 17588 9760 1 17 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.215 0.059 17588 9761 1 17 . 1 1 61 61 ALA C C 61 177.758 177.758 177.829 -0.071 17588 9762 1 17 . 1 1 61 61 ALA CA C 61 53.442 53.442 53.306 0.136 17588 9763 1 17 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.421 -0.353 17588 9764 1 17 . 1 1 61 61 ALA H H 61 7.513 7.513 7.716 -0.203 17588 9765 1 17 . 1 1 62 62 ASP N N 62 115.735 115.735 117.466 -1.731 17588 9766 1 17 . 1 1 62 62 ASP HA H 62 4.933 4.933 4.988 -0.055 17588 9767 1 17 . 1 1 62 62 ASP C C 62 172.960 172.960 175.287 -2.327 17588 9768 1 17 . 1 1 62 62 ASP CA C 62 51.124 51.124 50.973 0.151 17588 9769 1 17 . 1 1 62 62 ASP CB C 62 41.384 41.384 42.066 -0.682 17588 9770 1 17 . 1 1 62 62 ASP H H 62 7.615 7.615 7.877 -0.262 17588 9771 1 17 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.394 0.052 17588 9772 1 17 . 1 1 63 63 PRO C C 63 179.157 179.157 177.199 1.958 17588 9773 1 17 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.263 0.137 17588 9774 1 17 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.589 -0.329 17588 9775 1 17 . 1 1 64 64 ASN N N 64 115.566 115.566 115.679 -0.113 17588 9776 1 17 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.572 -0.020 17588 9777 1 17 . 1 1 64 64 ASN C C 64 176.867 176.867 176.654 0.213 17588 9778 1 17 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.284 0.037 17588 9779 1 17 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.862 0.039 17588 9780 1 17 . 1 1 64 64 ASN H H 64 8.094 8.094 8.637 -0.543 17588 9781 1 17 . 1 1 65 65 LYS N N 65 118.691 118.691 119.878 -1.187 17588 9782 1 17 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.036 0.142 17588 9783 1 17 . 1 1 65 65 LYS C C 65 175.844 175.844 177.552 -1.708 17588 9784 1 17 . 1 1 65 65 LYS CA C 65 56.234 56.234 57.826 -1.592 17588 9785 1 17 . 1 1 65 65 LYS CB C 65 32.877 32.877 32.334 0.543 17588 9786 1 17 . 1 1 65 65 LYS H H 65 8.185 8.185 7.522 0.663 17588 9787 1 17 . 1 1 66 66 ALA N N 66 120.147 120.147 122.783 -2.636 17588 9788 1 17 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.358 -0.316 17588 9789 1 17 . 1 1 66 66 ALA C C 66 176.697 176.697 179.090 -2.393 17588 9790 1 17 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.010 0.802 17588 9791 1 17 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.848 0.386 17588 9792 1 17 . 1 1 66 66 ALA H H 66 7.233 7.233 7.581 -0.348 17588 9793 1 17 . 1 1 67 67 ASP N N 67 114.524 114.524 118.444 -3.920 17588 9794 1 17 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.343 -0.170 17588 9795 1 17 . 1 1 67 67 ASP C C 67 178.071 178.071 178.175 -0.104 17588 9796 1 17 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.613 0.755 17588 9797 1 17 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.677 -0.033 17588 9798 1 17 . 1 1 67 67 ASP H H 67 8.114 8.114 8.220 -0.106 17588 9799 1 17 . 1 1 68 68 GLU N N 68 117.486 117.486 118.899 -1.413 17588 9800 1 17 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.889 0.004 17588 9801 1 17 . 1 1 68 68 GLU C C 68 178.885 178.885 179.075 -0.190 17588 9802 1 17 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.969 -0.225 17588 9803 1 17 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.335 0.326 17588 9804 1 17 . 1 1 68 68 GLU H H 68 7.846 7.846 7.626 0.220 17588 9805 1 17 . 1 1 69 69 VAL N N 69 120.957 120.957 120.035 0.922 17588 9806 1 17 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.130 -0.084 17588 9807 1 17 . 1 1 69 69 VAL C C 69 176.618 176.618 178.017 -1.399 17588 9808 1 17 . 1 1 69 69 VAL CA C 69 66.453 66.453 66.418 0.035 17588 9809 1 17 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.418 0.621 17588 9810 1 17 . 1 1 69 69 VAL H H 69 7.325 7.325 8.239 -0.914 17588 9811 1 17 . 1 1 70 70 TYR N N 70 117.638 117.638 117.014 0.624 17588 9812 1 17 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.089 0.086 17588 9813 1 17 . 1 1 70 70 TYR C C 70 178.493 178.493 178.028 0.465 17588 9814 1 17 . 1 1 70 70 TYR CA C 70 57.481 57.481 61.276 -3.795 17588 9815 1 17 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.297 -2.434 17588 9816 1 17 . 1 1 70 70 TYR H H 70 8.483 8.483 7.990 0.493 17588 9817 1 17 . 1 1 71 71 LYS N N 71 117.283 117.283 118.000 -0.717 17588 9818 1 17 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.202 0.012 17588 9819 1 17 . 1 1 71 71 LYS C C 71 178.790 178.790 179.241 -0.451 17588 9820 1 17 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.261 0.532 17588 9821 1 17 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.035 0.472 17588 9822 1 17 . 1 1 71 71 LYS H H 71 7.754 7.754 7.725 0.029 17588 9823 1 17 . 1 1 72 72 LYS N N 72 120.053 120.053 120.448 -0.395 17588 9824 1 17 . 1 1 72 72 LYS HA H 72 4.141 4.141 4.030 0.111 17588 9825 1 17 . 1 1 72 72 LYS C C 72 180.399 180.399 178.989 1.410 17588 9826 1 17 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.223 0.505 17588 9827 1 17 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.167 -0.153 17588 9828 1 17 . 1 1 72 72 LYS H H 72 7.386 7.386 7.819 -0.433 17588 9829 1 17 . 1 1 73 73 TRP N N 73 121.910 121.910 120.317 1.593 17588 9830 1 17 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.493 0.020 17588 9831 1 17 . 1 1 73 73 TRP C C 73 177.981 177.981 178.783 -0.802 17588 9832 1 17 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.704 -1.789 17588 9833 1 17 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.665 0.898 17588 9834 1 17 . 1 1 73 73 TRP H H 73 8.659 8.659 8.362 0.297 17588 9835 1 17 . 1 1 74 74 ALA N N 74 123.471 123.471 120.877 2.594 17588 9836 1 17 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.291 0.201 17588 9837 1 17 . 1 1 74 74 ALA C C 74 182.881 182.881 179.989 2.892 17588 9838 1 17 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.133 0.216 17588 9839 1 17 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.524 -0.132 17588 9840 1 17 . 1 1 74 74 ALA H H 74 9.137 9.137 8.259 0.878 17588 9841 1 17 . 1 1 75 75 ASP N N 75 121.896 121.896 116.890 5.006 17588 9842 1 17 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.480 -0.016 17588 9843 1 17 . 1 1 75 75 ASP C C 75 178.714 178.714 178.371 0.343 17588 9844 1 17 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.364 0.730 17588 9845 1 17 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.697 -0.112 17588 9846 1 17 . 1 1 75 75 ASP H H 75 8.804 8.804 7.783 1.021 17588 9847 1 17 . 1 1 76 76 LYS N N 76 118.966 118.966 117.256 1.710 17588 9848 1 17 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.172 -0.143 17588 9849 1 17 . 1 1 76 76 LYS C C 76 176.868 176.868 177.418 -0.550 17588 9850 1 17 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.496 0.001 17588 9851 1 17 . 1 1 76 76 LYS CB C 76 31.685 31.685 33.247 -1.562 17588 9852 1 17 . 1 1 76 76 LYS H H 76 7.630 7.630 8.216 -0.586 17588 9853 1 17 . 1 1 77 77 GLY N N 77 107.310 107.310 105.624 1.686 17588 9854 1 17 . 1 1 77 77 GLY C C 77 175.407 175.407 173.831 1.576 17588 9855 1 17 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.664 0.525 17588 9856 1 17 . 1 1 77 77 GLY H H 77 7.901 7.901 7.681 0.220 17588 9857 1 17 . 1 1 78 78 TYR N N 78 117.917 117.917 120.702 -2.785 17588 9858 1 17 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.887 0.405 17588 9859 1 17 . 1 1 78 78 TYR C C 78 178.422 178.422 174.878 3.544 17588 9860 1 17 . 1 1 78 78 TYR CA C 78 55.545 55.545 56.060 -0.515 17588 9861 1 17 . 1 1 78 78 TYR CB C 78 36.781 36.781 39.813 -3.033 17588 9862 1 17 . 1 1 78 78 TYR H H 78 7.506 7.506 7.576 -0.070 17588 9863 1 17 . 1 1 79 79 THR N N 79 119.420 119.420 111.596 7.824 17588 9864 1 17 . 1 1 79 79 THR HA H 79 4.518 4.518 4.886 -0.368 17588 9865 1 17 . 1 1 79 79 THR C C 79 175.648 175.648 175.922 -0.274 17588 9866 1 17 . 1 1 79 79 THR CA C 79 60.027 60.027 59.475 0.552 17588 9867 1 17 . 1 1 79 79 THR CB C 79 71.622 71.622 72.102 -0.480 17588 9868 1 17 . 1 1 79 79 THR H H 79 8.957 8.957 8.264 0.693 17588 9869 1 17 . 1 1 80 80 LEU N N 80 119.655 119.655 122.732 -3.077 17588 9870 1 17 . 1 1 80 80 LEU HA H 80 4.180 4.180 3.986 0.194 17588 9871 1 17 . 1 1 80 80 LEU C C 80 180.085 180.085 178.920 1.165 17588 9872 1 17 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.860 0.053 17588 9873 1 17 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.135 -1.482 17588 9874 1 17 . 1 1 80 80 LEU H H 80 9.005 9.005 8.842 0.163 17588 9875 1 17 . 1 1 81 81 THR N N 81 115.259 115.259 112.877 2.382 17588 9876 1 17 . 1 1 81 81 THR HA H 81 3.939 3.939 3.876 0.063 17588 9877 1 17 . 1 1 81 81 THR C C 81 177.000 177.000 177.062 -0.062 17588 9878 1 17 . 1 1 81 81 THR CA C 81 66.349 66.349 66.417 -0.068 17588 9879 1 17 . 1 1 81 81 THR CB C 81 68.591 68.591 68.590 0.001 17588 9880 1 17 . 1 1 81 81 THR H H 81 8.135 8.135 8.169 -0.034 17588 9881 1 17 . 1 1 82 82 GLN N N 82 121.304 121.304 119.445 1.859 17588 9882 1 17 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.872 -0.219 17588 9883 1 17 . 1 1 82 82 GLN C C 82 178.354 178.354 177.829 0.525 17588 9884 1 17 . 1 1 82 82 GLN CA C 82 58.640 58.640 57.952 0.688 17588 9885 1 17 . 1 1 82 82 GLN CB C 82 28.914 28.914 27.909 1.005 17588 9886 1 17 . 1 1 82 82 GLN H H 82 7.641 7.641 7.763 -0.122 17588 9887 1 17 . 1 1 83 83 MET N N 83 117.464 117.464 119.403 -1.939 17588 9888 1 17 . 1 1 83 83 MET HA H 83 4.425 4.425 3.947 0.478 17588 9889 1 17 . 1 1 83 83 MET C C 83 177.906 177.906 177.961 -0.055 17588 9890 1 17 . 1 1 83 83 MET CA C 83 55.462 55.462 58.143 -2.681 17588 9891 1 17 . 1 1 83 83 MET CB C 83 29.014 29.014 32.246 -3.232 17588 9892 1 17 . 1 1 83 83 MET H H 83 8.665 8.665 8.483 0.182 17588 9893 1 17 . 1 1 84 84 SER N N 84 114.879 114.879 116.075 -1.196 17588 9894 1 17 . 1 1 84 84 SER HA H 84 3.689 3.689 3.785 -0.096 17588 9895 1 17 . 1 1 84 84 SER C C 84 176.666 176.666 176.476 0.190 17588 9896 1 17 . 1 1 84 84 SER CA C 84 61.347 61.347 61.778 -0.430 17588 9897 1 17 . 1 1 84 84 SER CB C 84 62.356 62.356 61.908 0.447 17588 9898 1 17 . 1 1 84 84 SER H H 84 8.607 8.607 8.355 0.252 17588 9899 1 17 . 1 1 85 85 ASN N N 85 117.904 117.904 120.536 -2.632 17588 9900 1 17 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.277 0.138 17588 9901 1 17 . 1 1 85 85 ASN C C 85 177.997 177.997 178.069 -0.072 17588 9902 1 17 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.635 0.319 17588 9903 1 17 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.768 0.492 17588 9904 1 17 . 1 1 85 85 ASN H H 85 7.204 7.204 7.524 -0.320 17588 9905 1 17 . 1 1 86 86 PHE N N 86 118.316 118.316 117.560 0.756 17588 9906 1 17 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.221 0.207 17588 9907 1 17 . 1 1 86 86 PHE C C 86 177.478 177.478 176.751 0.727 17588 9908 1 17 . 1 1 86 86 PHE CA C 86 58.394 58.394 60.150 -1.756 17588 9909 1 17 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.314 0.521 17588 9910 1 17 . 1 1 86 86 PHE H H 86 8.367 8.367 7.444 0.923 17588 9911 1 17 . 1 1 87 87 LEU N N 87 112.533 112.533 115.930 -3.397 17588 9912 1 17 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.102 -0.002 17588 9913 1 17 . 1 1 87 87 LEU C C 87 176.474 176.474 176.545 -0.071 17588 9914 1 17 . 1 1 87 87 LEU CA C 87 54.549 54.549 54.906 -0.357 17588 9915 1 17 . 1 1 87 87 LEU CB C 87 41.371 41.371 41.446 -0.075 17588 9916 1 17 . 1 1 87 87 LEU H H 87 7.778 7.778 7.707 0.071 17588 9917 1 17 . 1 1 88 88 LYS N N 88 119.798 119.798 120.697 -0.899 17588 9918 1 17 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.352 -0.104 17588 9919 1 17 . 1 1 88 88 LYS C C 88 176.594 176.594 176.006 0.588 17588 9920 1 17 . 1 1 88 88 LYS CA C 88 57.674 57.674 55.550 2.124 17588 9921 1 17 . 1 1 88 88 LYS CB C 88 32.671 32.671 31.292 1.379 17588 9922 1 17 . 1 1 88 88 LYS H H 88 7.328 7.328 7.659 -0.331 17588 9923 1 17 . 1 1 89 89 SER N N 89 117.937 117.937 119.735 -1.798 17588 9924 1 17 . 1 1 89 89 SER HA H 89 4.785 4.785 4.555 0.230 17588 9925 1 17 . 1 1 89 89 SER CA C 89 57.375 57.375 56.526 0.849 17588 9926 1 17 . 1 1 89 89 SER CB C 89 64.838 64.838 62.920 1.918 17588 9927 1 17 . 1 1 89 89 SER H H 89 8.197 8.197 8.247 -0.050 17588 9928 1 17 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.935 0.219 17588 9929 1 17 . 1 1 90 90 LYS C C 90 177.472 177.472 175.505 1.967 17588 9930 1 17 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.037 1.357 17588 9931 1 17 . 1 1 90 90 LYS CB C 90 31.767 31.767 29.987 1.780 17588 9932 1 17 . 1 1 90 90 LYS H H 90 7.981 7.981 8.402 -0.421 17588 9933 1 17 . 1 1 91 91 THR N N 91 113.435 113.435 113.674 -0.239 17588 9934 1 17 . 1 1 91 91 THR HA H 91 4.342 4.342 4.510 -0.168 17588 9935 1 17 . 1 1 91 91 THR C C 91 174.236 174.236 175.689 -1.453 17588 9936 1 17 . 1 1 91 91 THR CA C 91 61.203 61.203 61.048 0.155 17588 9937 1 17 . 1 1 91 91 THR CB C 91 69.254 69.254 70.823 -1.569 17588 9938 1 17 . 1 1 91 91 THR H H 91 7.942 7.942 7.571 0.371 17588 9939 1 17 . 1 1 92 92 ALA N N 92 129.685 129.685 128.851 0.834 17588 9940 1 17 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.134 0.044 17588 9941 1 17 . 1 1 92 92 ALA C C 92 178.710 178.710 177.900 0.810 17588 9942 1 17 . 1 1 92 92 ALA CA C 92 53.583 53.583 54.017 -0.434 17588 9943 1 17 . 1 1 92 92 ALA CB C 92 18.081 18.081 19.089 -1.008 17588 9944 1 17 . 1 1 92 92 ALA H H 92 8.603 8.603 8.637 -0.034 17588 9945 1 17 . 1 1 93 93 GLY N N 93 109.919 109.919 105.571 4.348 17588 9946 1 17 . 1 1 93 93 GLY C C 93 176.310 176.310 172.755 3.555 17588 9947 1 17 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.090 0.415 17588 9948 1 17 . 1 1 93 93 GLY H H 93 8.823 8.823 7.867 0.956 17588 9949 1 17 . 1 1 94 94 LYS N N 94 120.949 120.949 124.355 -3.406 17588 9950 1 17 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.502 -0.710 17588 9951 1 17 . 1 1 94 94 LYS C C 94 177.630 177.630 176.149 1.481 17588 9952 1 17 . 1 1 94 94 LYS CA C 94 59.606 59.606 55.478 4.128 17588 9953 1 17 . 1 1 94 94 LYS CB C 94 33.246 33.246 34.030 -0.784 17588 9954 1 17 . 1 1 94 94 LYS H H 94 7.501 7.501 8.259 -0.758 17588 9955 1 17 . 1 1 95 95 TYR N N 95 113.034 113.034 118.731 -5.697 17588 9956 1 17 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.275 0.772 17588 9957 1 17 . 1 1 95 95 TYR C C 95 176.649 176.649 176.162 0.487 17588 9958 1 17 . 1 1 95 95 TYR CA C 95 56.936 56.936 58.330 -1.394 17588 9959 1 17 . 1 1 95 95 TYR CB C 95 39.000 39.000 35.961 3.039 17588 9960 1 17 . 1 1 95 95 TYR H H 95 8.670 8.670 8.600 0.070 17588 9961 1 17 . 1 1 96 96 ASP N N 96 123.097 123.097 119.914 3.183 17588 9962 1 17 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.451 -0.122 17588 9963 1 17 . 1 1 96 96 ASP C C 96 178.087 178.087 178.094 -0.007 17588 9964 1 17 . 1 1 96 96 ASP CA C 96 58.619 58.619 56.536 2.083 17588 9965 1 17 . 1 1 96 96 ASP CB C 96 39.570 39.570 41.242 -1.673 17588 9966 1 17 . 1 1 96 96 ASP H H 96 7.756 7.756 8.570 -0.814 17588 9967 1 17 . 1 1 97 97 ARG N N 97 118.384 118.384 120.267 -1.883 17588 9968 1 17 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.283 -0.021 17588 9969 1 17 . 1 1 97 97 ARG C C 97 179.927 179.927 178.450 1.477 17588 9970 1 17 . 1 1 97 97 ARG CA C 97 59.746 59.746 58.609 1.137 17588 9971 1 17 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.751 0.043 17588 9972 1 17 . 1 1 97 97 ARG H H 97 8.897 8.897 8.641 0.256 17588 9973 1 17 . 1 1 98 98 VAL N N 98 119.642 119.642 119.444 0.198 17588 9974 1 17 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.129 -0.191 17588 9975 1 17 . 1 1 98 98 VAL C C 98 179.630 179.630 178.173 1.457 17588 9976 1 17 . 1 1 98 98 VAL CA C 98 65.804 65.804 66.502 -0.698 17588 9977 1 17 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.704 0.350 17588 9978 1 17 . 1 1 98 98 VAL H H 98 7.578 7.578 8.189 -0.611 17588 9979 1 17 . 1 1 99 99 TYR N N 99 122.432 122.432 120.738 1.694 17588 9980 1 17 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.186 -0.252 17588 9981 1 17 . 1 1 99 99 TYR C C 99 176.400 176.400 177.474 -1.074 17588 9982 1 17 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.908 0.998 17588 9983 1 17 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.582 -0.260 17588 9984 1 17 . 1 1 99 99 TYR H H 99 8.635 8.635 8.148 0.487 17588 9985 1 17 . 1 1 100 100 ASN N N 100 117.211 117.211 118.006 -0.795 17588 9986 1 17 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.246 0.040 17588 9987 1 17 . 1 1 100 100 ASN C C 100 178.488 178.488 177.724 0.764 17588 9988 1 17 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.442 -0.586 17588 9989 1 17 . 1 1 100 100 ASN CB C 100 37.849 37.849 38.044 -0.195 17588 9990 1 17 . 1 1 100 100 ASN H H 100 9.024 9.024 8.311 0.713 17588 9991 1 17 . 1 1 101 101 GLY N N 101 105.413 105.413 107.676 -2.263 17588 9992 1 17 . 1 1 101 101 GLY C C 101 175.833 175.833 175.625 0.208 17588 9993 1 17 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.165 -0.133 17588 9994 1 17 . 1 1 101 101 GLY H H 101 7.908 7.908 7.691 0.217 17588 9995 1 17 . 1 1 102 102 TYR N N 102 126.373 126.373 123.290 3.083 17588 9996 1 17 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.714 -0.247 17588 9997 1 17 . 1 1 102 102 TYR C C 102 176.016 176.016 177.876 -1.860 17588 9998 1 17 . 1 1 102 102 TYR CA C 102 59.553 59.553 59.865 -0.312 17588 9999 1 17 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.218 -0.328 17588 10000 1 17 . 1 1 102 102 TYR H H 102 7.581 7.581 7.115 0.466 17588 10001 1 17 . 1 1 103 103 VAL N N 103 117.870 117.870 117.272 0.598 17588 10002 1 17 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.219 -0.077 17588 10003 1 17 . 1 1 103 103 VAL C C 103 178.786 178.786 178.297 0.489 17588 10004 1 17 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.712 -0.135 17588 10005 1 17 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.948 0.799 17588 10006 1 17 . 1 1 103 103 VAL H H 103 7.510 7.510 7.683 -0.173 17588 10007 1 17 . 1 1 104 104 ILE N N 104 116.770 116.770 118.267 -1.497 17588 10008 1 17 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.639 0.053 17588 10009 1 17 . 1 1 104 104 ILE C C 104 178.703 178.703 178.581 0.122 17588 10010 1 17 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.546 -0.709 17588 10011 1 17 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.597 0.335 17588 10012 1 17 . 1 1 104 104 ILE H H 104 7.056 7.056 7.399 -0.343 17588 10013 1 17 . 1 1 105 105 HIS N N 105 121.324 121.324 119.677 1.647 17588 10014 1 17 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.207 -0.255 17588 10015 1 17 . 1 1 105 105 HIS C C 105 176.974 176.974 178.087 -1.113 17588 10016 1 17 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.688 0.462 17588 10017 1 17 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.650 0.874 17588 10018 1 17 . 1 1 105 105 HIS H H 105 7.864 7.864 8.154 -0.290 17588 10019 1 17 . 1 1 106 106 LEU N N 106 115.126 115.126 119.534 -4.408 17588 10020 1 17 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.211 -0.376 17588 10021 1 17 . 1 1 106 106 LEU C C 106 177.315 177.315 177.947 -0.632 17588 10022 1 17 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.330 -1.623 17588 10023 1 17 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.634 0.407 17588 10024 1 17 . 1 1 106 106 LEU H H 106 7.517 7.517 8.024 -0.507 17588 10025 1 17 . 1 1 107 107 ASP N N 107 119.221 119.221 118.869 0.352 17588 10026 1 17 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.338 0.163 17588 10027 1 17 . 1 1 107 107 ASP C C 107 175.224 175.224 176.605 -1.381 17588 10028 1 17 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.676 -1.058 17588 10029 1 17 . 1 1 107 107 ASP CB C 107 40.765 40.765 41.022 -0.257 17588 10030 1 17 . 1 1 107 107 ASP H H 107 7.512 7.512 7.798 -0.286 17588 10031 1 18 . 1 1 6 6 SER HA H 6 4.480 4.480 4.730 -0.250 17588 10032 1 18 . 1 1 6 6 SER C C 6 174.995 174.995 174.185 0.810 17588 10033 1 18 . 1 1 6 6 SER CA C 6 58.675 58.675 57.757 0.918 17588 10034 1 18 . 1 1 6 6 SER CB C 6 63.822 63.822 63.748 0.074 17588 10035 1 18 . 1 1 7 7 GLY N N 7 110.458 110.458 110.341 0.117 17588 10036 1 18 . 1 1 7 7 GLY C C 7 173.853 173.853 174.367 -0.514 17588 10037 1 18 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.552 0.795 17588 10038 1 18 . 1 1 7 7 GLY H H 7 8.394 8.394 8.475 -0.081 17588 10039 1 18 . 1 1 8 8 ASN N N 8 119.020 119.020 120.479 -1.459 17588 10040 1 18 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.615 0.142 17588 10041 1 18 . 1 1 8 8 ASN C C 8 175.389 175.389 175.415 -0.026 17588 10042 1 18 . 1 1 8 8 ASN CA C 8 53.231 53.231 54.132 -0.901 17588 10043 1 18 . 1 1 8 8 ASN CB C 8 38.959 38.959 38.766 0.193 17588 10044 1 18 . 1 1 8 8 ASN H H 8 8.308 8.308 8.518 -0.210 17588 10045 1 18 . 1 1 9 9 VAL N N 9 120.281 120.281 119.705 0.576 17588 10046 1 18 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.188 -0.073 17588 10047 1 18 . 1 1 9 9 VAL C C 9 175.980 175.980 174.736 1.244 17588 10048 1 18 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.229 0.239 17588 10049 1 18 . 1 1 9 9 VAL CB C 9 32.712 32.712 33.593 -0.881 17588 10050 1 18 . 1 1 9 9 VAL H H 9 8.173 8.173 7.743 0.430 17588 10051 1 18 . 1 1 10 10 ASP N N 10 123.840 123.840 126.200 -2.360 17588 10052 1 18 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.931 -0.307 17588 10053 1 18 . 1 1 10 10 ASP C C 10 176.599 176.599 174.774 1.825 17588 10054 1 18 . 1 1 10 10 ASP CA C 10 54.390 54.390 54.319 0.071 17588 10055 1 18 . 1 1 10 10 ASP CB C 10 41.343 41.343 41.715 -0.372 17588 10056 1 18 . 1 1 10 10 ASP H H 10 8.418 8.418 8.611 -0.193 17588 10057 1 18 . 1 1 11 11 SER N N 11 117.003 117.003 117.286 -0.283 17588 10058 1 18 . 1 1 11 11 SER HA H 11 4.395 4.395 4.749 -0.354 17588 10059 1 18 . 1 1 11 11 SER C C 11 174.834 174.834 173.009 1.825 17588 10060 1 18 . 1 1 11 11 SER CA C 11 58.886 58.886 58.246 0.640 17588 10061 1 18 . 1 1 11 11 SER CB C 11 63.740 63.740 63.736 0.004 17588 10062 1 18 . 1 1 11 11 SER H H 11 8.312 8.312 8.352 -0.040 17588 10063 1 18 . 1 1 12 12 ASN N N 12 120.512 120.512 119.433 1.079 17588 10064 1 18 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.976 -0.291 17588 10065 1 18 . 1 1 12 12 ASN C C 12 175.646 175.646 173.404 2.242 17588 10066 1 18 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.755 1.038 17588 10067 1 18 . 1 1 12 12 ASN CB C 12 38.630 38.630 40.222 -1.592 17588 10068 1 18 . 1 1 12 12 ASN H H 12 8.511 8.511 8.862 -0.351 17588 10069 1 18 . 1 1 13 13 GLN N N 13 120.057 120.057 119.344 0.713 17588 10070 1 18 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.588 -0.350 17588 10071 1 18 . 1 1 13 13 GLN C C 13 175.988 175.988 174.263 1.725 17588 10072 1 18 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.275 1.172 17588 10073 1 18 . 1 1 13 13 GLN CB C 13 29.137 29.137 30.474 -1.337 17588 10074 1 18 . 1 1 13 13 GLN H H 13 8.258 8.258 8.486 -0.228 17588 10075 1 18 . 1 1 14 14 ASN N N 14 119.323 119.323 118.062 1.261 17588 10076 1 18 . 1 1 14 14 ASN HA H 14 4.685 4.685 5.151 -0.466 17588 10077 1 18 . 1 1 14 14 ASN C C 14 175.552 175.552 173.629 1.923 17588 10078 1 18 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.333 1.232 17588 10079 1 18 . 1 1 14 14 ASN CB C 14 38.763 38.763 41.316 -2.553 17588 10080 1 18 . 1 1 14 14 ASN H H 14 8.377 8.377 8.570 -0.193 17588 10081 1 18 . 1 1 15 15 LYS N N 15 121.938 121.938 119.665 2.273 17588 10082 1 18 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.474 -0.260 17588 10083 1 18 . 1 1 15 15 LYS C C 15 176.933 176.933 175.702 1.231 17588 10084 1 18 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.530 1.705 17588 10085 1 18 . 1 1 15 15 LYS CB C 15 32.753 32.753 34.277 -1.524 17588 10086 1 18 . 1 1 15 15 LYS H H 15 8.224 8.224 8.414 -0.190 17588 10087 1 18 . 1 1 16 16 ALA N N 16 123.956 123.956 124.017 -0.061 17588 10088 1 18 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.242 0.032 17588 10089 1 18 . 1 1 16 16 ALA C C 16 178.593 178.593 178.365 0.228 17588 10090 1 18 . 1 1 16 16 ALA CA C 16 53.442 53.442 52.840 0.602 17588 10091 1 18 . 1 1 16 16 ALA CB C 16 18.863 18.863 19.271 -0.408 17588 10092 1 18 . 1 1 16 16 ALA H H 16 8.292 8.292 8.223 0.069 17588 10093 1 18 . 1 1 17 17 SER N N 17 114.462 114.462 116.813 -2.351 17588 10094 1 18 . 1 1 17 17 SER HA H 17 4.365 4.365 4.217 0.148 17588 10095 1 18 . 1 1 17 17 SER C C 17 175.370 175.370 174.829 0.541 17588 10096 1 18 . 1 1 17 17 SER CA C 17 59.077 59.077 60.407 -1.330 17588 10097 1 18 . 1 1 17 17 SER CB C 17 63.383 63.383 63.461 -0.078 17588 10098 1 18 . 1 1 17 17 SER H H 17 8.200 8.200 8.433 -0.233 17588 10099 1 18 . 1 1 18 18 MET N N 18 121.999 121.999 116.943 5.056 17588 10100 1 18 . 1 1 18 18 MET HA H 18 4.429 4.429 4.602 -0.173 17588 10101 1 18 . 1 1 18 18 MET C C 18 176.829 176.829 175.018 1.811 17588 10102 1 18 . 1 1 18 18 MET CA C 18 56.357 56.357 54.728 1.629 17588 10103 1 18 . 1 1 18 18 MET CB C 18 32.630 32.630 34.669 -2.038 17588 10104 1 18 . 1 1 18 18 MET H H 18 8.214 8.214 7.653 0.561 17588 10105 1 18 . 1 1 19 19 LEU N N 19 122.083 122.083 123.499 -1.416 17588 10106 1 18 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.565 -0.309 17588 10107 1 18 . 1 1 19 19 LEU C C 19 177.774 177.774 175.911 1.863 17588 10108 1 18 . 1 1 19 19 LEU CA C 19 56.111 56.111 54.543 1.568 17588 10109 1 18 . 1 1 19 19 LEU CB C 19 42.041 42.041 42.911 -0.870 17588 10110 1 18 . 1 1 19 19 LEU H H 19 8.076 8.076 8.349 -0.273 17588 10111 1 18 . 1 1 20 20 GLN N N 20 120.123 120.123 125.549 -5.426 17588 10112 1 18 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.518 -0.311 17588 10113 1 18 . 1 1 20 20 GLN C C 20 176.166 176.166 175.599 0.567 17588 10114 1 18 . 1 1 20 20 GLN CA C 20 56.409 56.409 55.034 1.375 17588 10115 1 18 . 1 1 20 20 GLN CB C 20 29.196 29.196 30.806 -1.610 17588 10116 1 18 . 1 1 20 20 GLN H H 20 8.174 8.174 8.397 -0.223 17588 10117 1 18 . 1 1 21 21 ALA N N 21 124.216 124.216 125.205 -0.989 17588 10118 1 18 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.286 -0.032 17588 10119 1 18 . 1 1 21 21 ALA C C 21 178.034 178.034 177.095 0.939 17588 10120 1 18 . 1 1 21 21 ALA CA C 21 53.126 53.126 52.666 0.460 17588 10121 1 18 . 1 1 21 21 ALA CB C 21 19.071 19.071 19.419 -0.348 17588 10122 1 18 . 1 1 21 21 ALA H H 21 8.151 8.151 8.398 -0.247 17588 10123 1 18 . 1 1 22 22 ARG N N 22 119.591 119.591 121.971 -2.380 17588 10124 1 18 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.409 -0.101 17588 10125 1 18 . 1 1 22 22 ARG C C 22 176.750 176.750 174.205 2.545 17588 10126 1 18 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.800 0.627 17588 10127 1 18 . 1 1 22 22 ARG CB C 22 30.616 30.616 31.803 -1.187 17588 10128 1 18 . 1 1 22 22 ARG H H 22 8.147 8.147 8.533 -0.386 17588 10129 1 18 . 1 1 23 23 LEU N N 23 122.553 122.553 123.325 -0.772 17588 10130 1 18 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.755 -0.481 17588 10131 1 18 . 1 1 23 23 LEU C C 23 177.547 177.547 175.709 1.838 17588 10132 1 18 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.824 0.866 17588 10133 1 18 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.696 -1.614 17588 10134 1 18 . 1 1 23 23 LEU H H 23 8.220 8.220 8.534 -0.314 17588 10135 1 18 . 1 1 24 24 ASN N N 24 118.666 118.666 120.239 -1.573 17588 10136 1 18 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.801 -0.128 17588 10137 1 18 . 1 1 24 24 ASN C C 24 175.246 175.246 174.832 0.414 17588 10138 1 18 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.604 0.961 17588 10139 1 18 . 1 1 24 24 ASN CB C 24 38.836 38.836 38.981 -0.145 17588 10140 1 18 . 1 1 24 24 ASN H H 24 8.351 8.351 8.468 -0.117 17588 10141 1 18 . 1 1 25 25 ASP N N 25 120.897 120.897 122.801 -1.904 17588 10142 1 18 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.311 0.265 17588 10143 1 18 . 1 1 25 25 ASP C C 25 176.732 176.732 175.525 1.207 17588 10144 1 18 . 1 1 25 25 ASP CA C 25 54.706 54.706 54.986 -0.280 17588 10145 1 18 . 1 1 25 25 ASP CB C 25 41.219 41.219 41.410 -0.191 17588 10146 1 18 . 1 1 25 25 ASP H H 25 8.234 8.234 8.577 -0.343 17588 10147 1 18 . 1 1 26 26 GLU N N 26 121.168 121.168 123.444 -2.276 17588 10148 1 18 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.264 -0.050 17588 10149 1 18 . 1 1 26 26 GLU C C 26 176.857 176.857 176.203 0.654 17588 10150 1 18 . 1 1 26 26 GLU CA C 26 57.247 57.247 56.150 1.097 17588 10151 1 18 . 1 1 26 26 GLU CB C 26 29.959 29.959 30.431 -0.472 17588 10152 1 18 . 1 1 26 26 GLU H H 26 8.368 8.368 8.305 0.063 17588 10153 1 18 . 1 1 27 27 ALA N N 27 124.100 124.100 125.867 -1.767 17588 10154 1 18 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.166 0.151 17588 10155 1 18 . 1 1 27 27 ALA C C 27 178.520 178.520 176.407 2.113 17588 10156 1 18 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.812 0.174 17588 10157 1 18 . 1 1 27 27 ALA CB C 27 18.945 18.945 17.737 1.208 17588 10158 1 18 . 1 1 27 27 ALA H H 27 8.289 8.289 8.637 -0.348 17588 10159 1 18 . 1 1 28 28 GLY N N 28 107.844 107.844 106.275 1.569 17588 10160 1 18 . 1 1 28 28 GLY C C 28 175.019 175.019 174.081 0.938 17588 10161 1 18 . 1 1 28 28 GLY CA C 28 45.628 45.628 44.890 0.738 17588 10162 1 18 . 1 1 28 28 GLY H H 28 8.315 8.315 8.436 -0.121 17588 10163 1 18 . 1 1 29 29 GLY N N 29 108.754 108.754 109.972 -1.218 17588 10164 1 18 . 1 1 29 29 GLY C C 29 174.659 174.659 173.246 1.413 17588 10165 1 18 . 1 1 29 29 GLY CA C 29 45.487 45.487 44.482 1.005 17588 10166 1 18 . 1 1 29 29 GLY H H 29 8.266 8.266 8.053 0.213 17588 10167 1 18 . 1 1 30 30 THR N N 30 114.068 114.068 112.380 1.688 17588 10168 1 18 . 1 1 30 30 THR HA H 30 4.301 4.301 4.489 -0.188 17588 10169 1 18 . 1 1 30 30 THR C C 30 174.789 174.789 173.238 1.551 17588 10170 1 18 . 1 1 30 30 THR CA C 30 62.327 62.327 61.570 0.757 17588 10171 1 18 . 1 1 30 30 THR CB C 30 69.553 69.553 70.785 -1.232 17588 10172 1 18 . 1 1 30 30 THR H H 30 8.111 8.111 8.086 0.025 17588 10173 1 18 . 1 1 31 31 ARG N N 31 123.536 123.536 124.868 -1.332 17588 10174 1 18 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.551 -0.252 17588 10175 1 18 . 1 1 31 31 ARG C C 31 176.125 176.125 175.854 0.271 17588 10176 1 18 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.129 1.333 17588 10177 1 18 . 1 1 31 31 ARG CB C 31 30.657 30.657 31.781 -1.124 17588 10178 1 18 . 1 1 31 31 ARG H H 31 8.343 8.343 8.445 -0.102 17588 10179 1 18 . 1 1 32 32 LEU N N 32 122.865 122.865 125.474 -2.609 17588 10180 1 18 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.127 0.192 17588 10181 1 18 . 1 1 32 32 LEU C C 32 177.036 177.036 176.405 0.631 17588 10182 1 18 . 1 1 32 32 LEU CA C 32 55.233 55.233 55.422 -0.189 17588 10183 1 18 . 1 1 32 32 LEU CB C 32 42.264 42.264 42.318 -0.054 17588 10184 1 18 . 1 1 32 32 LEU H H 32 8.203 8.203 8.732 -0.529 17588 10185 1 18 . 1 1 33 33 LEU N N 33 123.054 123.054 125.952 -2.898 17588 10186 1 18 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.654 -0.318 17588 10187 1 18 . 1 1 33 33 LEU C C 33 177.022 177.022 176.546 0.476 17588 10188 1 18 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.265 0.804 17588 10189 1 18 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.819 -0.531 17588 10190 1 18 . 1 1 33 33 LEU H H 33 8.150 8.150 8.143 0.007 17588 10191 1 18 . 1 1 34 34 ARG N N 34 122.226 122.226 123.157 -0.931 17588 10192 1 18 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.653 -0.316 17588 10193 1 18 . 1 1 34 34 ARG C C 34 175.950 175.950 174.587 1.363 17588 10194 1 18 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.762 0.156 17588 10195 1 18 . 1 1 34 34 ARG CB C 34 30.781 30.781 31.947 -1.166 17588 10196 1 18 . 1 1 34 34 ARG H H 34 8.248 8.248 8.499 -0.251 17588 10197 1 18 . 1 1 35 35 VAL N N 35 121.294 121.294 125.468 -4.174 17588 10198 1 18 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.395 -0.354 17588 10199 1 18 . 1 1 35 35 VAL C C 35 175.709 175.709 174.878 0.831 17588 10200 1 18 . 1 1 35 35 VAL CA C 35 62.240 62.240 61.941 0.299 17588 10201 1 18 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.678 0.075 17588 10202 1 18 . 1 1 35 35 VAL H H 35 8.107 8.107 8.436 -0.329 17588 10203 1 18 . 1 1 36 36 HIS N N 36 123.522 123.522 123.187 0.335 17588 10204 1 18 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.823 -0.225 17588 10205 1 18 . 1 1 36 36 HIS C C 36 174.825 174.825 173.954 0.871 17588 10206 1 18 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.088 0.023 17588 10207 1 18 . 1 1 36 36 HIS CB C 36 30.944 30.944 29.686 1.258 17588 10208 1 18 . 1 1 36 36 HIS H H 36 8.410 8.410 7.955 0.455 17588 10209 1 18 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.737 -0.137 17588 10210 1 18 . 1 1 37 37 HIS C C 37 175.173 175.173 175.208 -0.035 17588 10211 1 18 . 1 1 37 37 HIS CA C 37 56.217 56.217 57.223 -1.006 17588 10212 1 18 . 1 1 37 37 HIS CB C 37 31.027 31.027 30.577 0.450 17588 10213 1 18 . 1 1 38 38 GLU N N 38 122.826 122.826 119.651 3.175 17588 10214 1 18 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.639 -0.384 17588 10215 1 18 . 1 1 38 38 GLU C C 38 176.483 176.483 175.421 1.062 17588 10216 1 18 . 1 1 38 38 GLU CA C 38 56.919 56.919 55.834 1.085 17588 10217 1 18 . 1 1 38 38 GLU CB C 38 30.328 30.328 31.848 -1.520 17588 10218 1 18 . 1 1 38 38 GLU H H 38 8.569 8.569 8.357 0.212 17588 10219 1 18 . 1 1 39 39 SER N N 39 116.398 116.398 116.015 0.383 17588 10220 1 18 . 1 1 39 39 SER HA H 39 4.454 4.454 4.737 -0.283 17588 10221 1 18 . 1 1 39 39 SER C C 39 174.497 174.497 173.456 1.041 17588 10222 1 18 . 1 1 39 39 SER CA C 39 58.552 58.552 57.679 0.873 17588 10223 1 18 . 1 1 39 39 SER CB C 39 64.028 64.028 64.312 -0.284 17588 10224 1 18 . 1 1 39 39 SER H H 39 8.444 8.444 8.288 0.156 17588 10225 1 18 . 1 1 40 40 ASP N N 40 122.831 122.831 124.510 -1.679 17588 10226 1 18 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.859 -0.187 17588 10227 1 18 . 1 1 40 40 ASP C C 40 176.783 176.783 175.992 0.791 17588 10228 1 18 . 1 1 40 40 ASP CA C 40 54.759 54.759 54.517 0.242 17588 10229 1 18 . 1 1 40 40 ASP CB C 40 41.014 41.014 42.131 -1.117 17588 10230 1 18 . 1 1 40 40 ASP H H 40 8.469 8.469 8.637 -0.168 17588 10231 1 18 . 1 1 41 41 THR N N 41 113.679 113.679 114.794 -1.115 17588 10232 1 18 . 1 1 41 41 THR HA H 41 4.181 4.181 4.434 -0.253 17588 10233 1 18 . 1 1 41 41 THR C C 41 175.314 175.314 174.739 0.575 17588 10234 1 18 . 1 1 41 41 THR CA C 41 62.819 62.819 61.627 1.192 17588 10235 1 18 . 1 1 41 41 THR CB C 41 69.576 69.576 68.609 0.967 17588 10236 1 18 . 1 1 41 41 THR H H 41 8.066 8.066 8.574 -0.508 17588 10237 1 18 . 1 1 42 42 GLU N N 42 122.776 122.776 123.342 -0.566 17588 10238 1 18 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.562 -0.354 17588 10239 1 18 . 1 1 42 42 GLU C C 42 177.129 177.129 176.007 1.122 17588 10240 1 18 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.165 1.157 17588 10241 1 18 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.875 -0.875 17588 10242 1 18 . 1 1 42 42 GLU H H 42 8.343 8.343 8.011 0.332 17588 10243 1 18 . 1 1 43 43 GLU N N 43 121.898 121.898 124.723 -2.825 17588 10244 1 18 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.316 -0.105 17588 10245 1 18 . 1 1 43 43 GLU C C 43 177.313 177.313 177.229 0.084 17588 10246 1 18 . 1 1 43 43 GLU CA C 43 57.453 57.453 57.846 -0.393 17588 10247 1 18 . 1 1 43 43 GLU CB C 43 29.959 29.959 30.242 -0.283 17588 10248 1 18 . 1 1 43 43 GLU H H 43 8.397 8.397 8.816 -0.419 17588 10249 1 18 . 1 1 44 44 ARG N N 44 121.336 121.336 117.912 3.424 17588 10250 1 18 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.113 0.113 17588 10251 1 18 . 1 1 44 44 ARG C C 44 178.048 178.048 175.932 2.116 17588 10252 1 18 . 1 1 44 44 ARG CA C 44 57.779 57.779 56.850 0.929 17588 10253 1 18 . 1 1 44 44 ARG CB C 44 30.366 30.366 28.638 1.728 17588 10254 1 18 . 1 1 44 44 ARG H H 44 8.401 8.401 8.624 -0.223 17588 10255 1 18 . 1 1 45 45 GLY N N 45 109.098 109.098 104.211 4.887 17588 10256 1 18 . 1 1 45 45 GLY C C 45 175.522 175.522 175.426 0.096 17588 10257 1 18 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.096 1.304 17588 10258 1 18 . 1 1 45 45 GLY H H 45 8.536 8.536 8.140 0.396 17588 10259 1 18 . 1 1 46 46 PHE N N 46 121.592 121.592 122.885 -1.293 17588 10260 1 18 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.090 0.328 17588 10261 1 18 . 1 1 46 46 PHE C C 46 177.561 177.561 176.328 1.233 17588 10262 1 18 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.741 -1.661 17588 10263 1 18 . 1 1 46 46 PHE CB C 46 38.911 38.911 38.833 0.078 17588 10264 1 18 . 1 1 46 46 PHE H H 46 8.071 8.071 8.439 -0.368 17588 10265 1 18 . 1 1 47 47 LEU N N 47 121.344 121.344 119.050 2.294 17588 10266 1 18 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.691 0.351 17588 10267 1 18 . 1 1 47 47 LEU C C 47 179.621 179.621 178.671 0.950 17588 10268 1 18 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.745 -0.285 17588 10269 1 18 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.207 0.430 17588 10270 1 18 . 1 1 47 47 LEU H H 47 8.215 8.215 8.023 0.192 17588 10271 1 18 . 1 1 48 48 GLU N N 48 121.986 121.986 120.299 1.687 17588 10272 1 18 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.733 0.255 17588 10273 1 18 . 1 1 48 48 GLU C C 48 177.573 177.573 178.591 -1.018 17588 10274 1 18 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.829 -0.522 17588 10275 1 18 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.340 0.308 17588 10276 1 18 . 1 1 48 48 GLU H H 48 8.225 8.225 8.537 -0.312 17588 10277 1 18 . 1 1 49 49 LYS N N 49 118.759 118.759 118.618 0.141 17588 10278 1 18 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.752 -0.509 17588 10279 1 18 . 1 1 49 49 LYS C C 49 177.659 177.659 178.412 -0.753 17588 10280 1 18 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.091 0.795 17588 10281 1 18 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.513 -0.211 17588 10282 1 18 . 1 1 49 49 LYS H H 49 7.790 7.790 8.234 -0.444 17588 10283 1 18 . 1 1 50 50 ALA N N 50 120.023 120.023 121.545 -1.522 17588 10284 1 18 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.677 0.282 17588 10285 1 18 . 1 1 50 50 ALA C C 50 180.486 180.486 179.105 1.381 17588 10286 1 18 . 1 1 50 50 ALA CA C 50 54.882 54.882 55.083 -0.201 17588 10287 1 18 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.941 -0.063 17588 10288 1 18 . 1 1 50 50 ALA H H 50 7.798 7.798 7.240 0.558 17588 10289 1 18 . 1 1 51 51 ALA N N 51 121.955 121.955 120.119 1.836 17588 10290 1 18 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.931 0.182 17588 10291 1 18 . 1 1 51 51 ALA C C 51 180.762 180.762 179.100 1.662 17588 10292 1 18 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.547 -0.436 17588 10293 1 18 . 1 1 51 51 ALA CB C 51 18.041 18.041 17.771 0.270 17588 10294 1 18 . 1 1 51 51 ALA H H 51 7.809 7.809 7.943 -0.134 17588 10295 1 18 . 1 1 52 52 VAL N N 52 120.415 120.415 118.182 2.233 17588 10296 1 18 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.611 0.039 17588 10297 1 18 . 1 1 52 52 VAL C C 52 178.567 178.567 178.247 0.320 17588 10298 1 18 . 1 1 52 52 VAL CA C 52 67.227 67.227 65.754 1.473 17588 10299 1 18 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.402 0.708 17588 10300 1 18 . 1 1 52 52 VAL H H 52 7.944 7.944 7.683 0.261 17588 10301 1 18 . 1 1 53 53 LYS N N 53 119.231 119.231 119.056 0.175 17588 10302 1 18 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.714 -0.150 17588 10303 1 18 . 1 1 53 53 LYS C C 53 178.546 178.546 179.079 -0.533 17588 10304 1 18 . 1 1 53 53 LYS CA C 53 60.720 60.720 58.920 1.800 17588 10305 1 18 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.717 0.534 17588 10306 1 18 . 1 1 53 53 LYS H H 53 8.132 8.132 7.841 0.291 17588 10307 1 18 . 1 1 54 54 LYS N N 54 119.514 119.514 119.510 0.004 17588 10308 1 18 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.879 0.114 17588 10309 1 18 . 1 1 54 54 LYS C C 54 179.987 179.987 179.081 0.906 17588 10310 1 18 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.915 0.322 17588 10311 1 18 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.260 0.223 17588 10312 1 18 . 1 1 54 54 LYS H H 54 7.956 7.956 8.279 -0.323 17588 10313 1 18 . 1 1 55 55 MET N N 55 119.732 119.732 117.282 2.450 17588 10314 1 18 . 1 1 55 55 MET HA H 55 4.251 4.251 4.094 0.157 17588 10315 1 18 . 1 1 55 55 MET C C 55 177.536 177.536 178.487 -0.951 17588 10316 1 18 . 1 1 55 55 MET CA C 55 58.396 58.396 58.151 0.244 17588 10317 1 18 . 1 1 55 55 MET CB C 55 34.228 34.228 31.840 2.388 17588 10318 1 18 . 1 1 55 55 MET H H 55 7.816 7.816 8.040 -0.224 17588 10319 1 18 . 1 1 56 56 ALA N N 56 122.295 122.295 122.196 0.099 17588 10320 1 18 . 1 1 56 56 ALA HA H 56 4.152 4.152 3.983 0.169 17588 10321 1 18 . 1 1 56 56 ALA C C 56 179.615 179.615 179.545 0.070 17588 10322 1 18 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.513 -0.175 17588 10323 1 18 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.005 1.101 17588 10324 1 18 . 1 1 56 56 ALA H H 56 8.724 8.724 7.846 0.878 17588 10325 1 18 . 1 1 57 57 LYS N N 57 117.704 117.704 118.978 -1.274 17588 10326 1 18 . 1 1 57 57 LYS HA H 57 4.084 4.084 3.967 0.117 17588 10327 1 18 . 1 1 57 57 LYS C C 57 179.358 179.358 178.883 0.475 17588 10328 1 18 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.719 0.255 17588 10329 1 18 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.285 0.216 17588 10330 1 18 . 1 1 57 57 LYS H H 57 8.444 8.444 7.858 0.586 17588 10331 1 18 . 1 1 58 58 ALA N N 58 122.736 122.736 121.382 1.354 17588 10332 1 18 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.078 0.093 17588 10333 1 18 . 1 1 58 58 ALA C C 58 180.708 180.708 179.776 0.932 17588 10334 1 18 . 1 1 58 58 ALA CA C 58 55.111 55.111 54.852 0.259 17588 10335 1 18 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.140 -0.592 17588 10336 1 18 . 1 1 58 58 ALA H H 58 7.701 7.701 7.449 0.252 17588 10337 1 18 . 1 1 59 59 ILE N N 59 117.672 117.672 119.225 -1.553 17588 10338 1 18 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.963 -0.290 17588 10339 1 18 . 1 1 59 59 ILE C C 59 177.728 177.728 178.487 -0.759 17588 10340 1 18 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.699 -0.721 17588 10341 1 18 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.969 -0.156 17588 10342 1 18 . 1 1 59 59 ILE H H 59 7.547 7.547 7.559 -0.012 17588 10343 1 18 . 1 1 60 60 MET N N 60 117.653 117.653 117.269 0.384 17588 10344 1 18 . 1 1 60 60 MET HA H 60 4.098 4.098 3.956 0.142 17588 10345 1 18 . 1 1 60 60 MET C C 60 178.085 178.085 177.735 0.350 17588 10346 1 18 . 1 1 60 60 MET CA C 60 58.060 58.060 58.931 -0.871 17588 10347 1 18 . 1 1 60 60 MET CB C 60 32.178 32.178 32.432 -0.254 17588 10348 1 18 . 1 1 60 60 MET H H 60 7.718 7.718 8.305 -0.587 17588 10349 1 18 . 1 1 61 61 ALA N N 61 118.874 118.874 119.493 -0.619 17588 10350 1 18 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.306 -0.032 17588 10351 1 18 . 1 1 61 61 ALA C C 61 177.758 177.758 178.509 -0.751 17588 10352 1 18 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.830 0.612 17588 10353 1 18 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.370 -0.302 17588 10354 1 18 . 1 1 61 61 ALA H H 61 7.513 7.513 7.424 0.089 17588 10355 1 18 . 1 1 62 62 ASP N N 62 115.735 115.735 119.861 -4.126 17588 10356 1 18 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.160 -0.227 17588 10357 1 18 . 1 1 62 62 ASP C C 62 172.960 172.960 174.988 -2.028 17588 10358 1 18 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.279 -0.155 17588 10359 1 18 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.438 -0.054 17588 10360 1 18 . 1 1 62 62 ASP H H 62 7.615 7.615 7.999 -0.384 17588 10361 1 18 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.381 0.065 17588 10362 1 18 . 1 1 63 63 PRO C C 63 179.157 179.157 178.158 0.999 17588 10363 1 18 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.908 -0.509 17588 10364 1 18 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.386 -0.126 17588 10365 1 18 . 1 1 64 64 ASN N N 64 115.566 115.566 116.254 -0.688 17588 10366 1 18 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.361 0.191 17588 10367 1 18 . 1 1 64 64 ASN C C 64 176.867 176.867 177.190 -0.323 17588 10368 1 18 . 1 1 64 64 ASN CA C 64 55.321 55.321 56.066 -0.745 17588 10369 1 18 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.638 0.263 17588 10370 1 18 . 1 1 64 64 ASN H H 64 8.094 8.094 8.725 -0.631 17588 10371 1 18 . 1 1 65 65 LYS N N 65 118.691 118.691 118.799 -0.108 17588 10372 1 18 . 1 1 65 65 LYS HA H 65 4.178 4.178 3.965 0.213 17588 10373 1 18 . 1 1 65 65 LYS C C 65 175.844 175.844 178.053 -2.209 17588 10374 1 18 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.467 -2.233 17588 10375 1 18 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.840 1.037 17588 10376 1 18 . 1 1 65 65 LYS H H 65 8.185 8.185 7.626 0.559 17588 10377 1 18 . 1 1 66 66 ALA N N 66 120.147 120.147 122.266 -2.119 17588 10378 1 18 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.419 -0.377 17588 10379 1 18 . 1 1 66 66 ALA C C 66 176.697 176.697 178.953 -2.256 17588 10380 1 18 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.280 0.532 17588 10381 1 18 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.690 0.544 17588 10382 1 18 . 1 1 66 66 ALA H H 66 7.233 7.233 7.972 -0.739 17588 10383 1 18 . 1 1 67 67 ASP N N 67 114.524 114.524 118.024 -3.500 17588 10384 1 18 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.456 -0.283 17588 10385 1 18 . 1 1 67 67 ASP C C 67 178.071 178.071 178.625 -0.554 17588 10386 1 18 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.607 0.761 17588 10387 1 18 . 1 1 67 67 ASP CB C 67 40.644 40.644 39.847 0.797 17588 10388 1 18 . 1 1 67 67 ASP H H 67 8.114 8.114 8.139 -0.025 17588 10389 1 18 . 1 1 68 68 GLU N N 68 117.486 117.486 119.856 -2.370 17588 10390 1 18 . 1 1 68 68 GLU HA H 68 3.893 3.893 4.043 -0.150 17588 10391 1 18 . 1 1 68 68 GLU C C 68 178.885 178.885 178.982 -0.097 17588 10392 1 18 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.914 -0.169 17588 10393 1 18 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.157 0.504 17588 10394 1 18 . 1 1 68 68 GLU H H 68 7.846 7.846 7.474 0.372 17588 10395 1 18 . 1 1 69 69 VAL N N 69 120.957 120.957 120.610 0.347 17588 10396 1 18 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.006 0.040 17588 10397 1 18 . 1 1 69 69 VAL C C 69 176.618 176.618 177.755 -1.137 17588 10398 1 18 . 1 1 69 69 VAL CA C 69 66.453 66.453 66.625 -0.172 17588 10399 1 18 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.876 0.163 17588 10400 1 18 . 1 1 69 69 VAL H H 69 7.325 7.325 8.150 -0.825 17588 10401 1 18 . 1 1 70 70 TYR N N 70 117.638 117.638 117.375 0.263 17588 10402 1 18 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.081 0.094 17588 10403 1 18 . 1 1 70 70 TYR C C 70 178.493 178.493 178.105 0.388 17588 10404 1 18 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.791 -3.310 17588 10405 1 18 . 1 1 70 70 TYR CB C 70 33.863 33.863 37.104 -3.241 17588 10406 1 18 . 1 1 70 70 TYR H H 70 8.483 8.483 7.827 0.656 17588 10407 1 18 . 1 1 71 71 LYS N N 71 117.283 117.283 118.501 -1.218 17588 10408 1 18 . 1 1 71 71 LYS HA H 71 4.214 4.214 3.858 0.356 17588 10409 1 18 . 1 1 71 71 LYS C C 71 178.790 178.790 179.054 -0.264 17588 10410 1 18 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.561 0.232 17588 10411 1 18 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.295 0.212 17588 10412 1 18 . 1 1 71 71 LYS H H 71 7.754 7.754 7.626 0.128 17588 10413 1 18 . 1 1 72 72 LYS N N 72 120.053 120.053 119.818 0.235 17588 10414 1 18 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.905 0.236 17588 10415 1 18 . 1 1 72 72 LYS C C 72 180.399 180.399 179.173 1.226 17588 10416 1 18 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.467 0.262 17588 10417 1 18 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.114 -0.100 17588 10418 1 18 . 1 1 72 72 LYS H H 72 7.386 7.386 8.005 -0.619 17588 10419 1 18 . 1 1 73 73 TRP N N 73 121.910 121.910 119.618 2.292 17588 10420 1 18 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.415 0.098 17588 10421 1 18 . 1 1 73 73 TRP C C 73 177.981 177.981 178.687 -0.706 17588 10422 1 18 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.297 -1.382 17588 10423 1 18 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.557 1.005 17588 10424 1 18 . 1 1 73 73 TRP H H 73 8.659 8.659 8.159 0.500 17588 10425 1 18 . 1 1 74 74 ALA N N 74 123.471 123.471 120.163 3.308 17588 10426 1 18 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.168 0.324 17588 10427 1 18 . 1 1 74 74 ALA C C 74 182.881 182.881 179.805 3.076 17588 10428 1 18 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.184 0.165 17588 10429 1 18 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.263 0.129 17588 10430 1 18 . 1 1 74 74 ALA H H 74 9.137 9.137 8.079 1.058 17588 10431 1 18 . 1 1 75 75 ASP N N 75 121.896 121.896 117.871 4.025 17588 10432 1 18 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.458 0.006 17588 10433 1 18 . 1 1 75 75 ASP C C 75 178.714 178.714 178.001 0.713 17588 10434 1 18 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.414 0.680 17588 10435 1 18 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.923 -0.339 17588 10436 1 18 . 1 1 75 75 ASP H H 75 8.804 8.804 8.023 0.781 17588 10437 1 18 . 1 1 76 76 LYS N N 76 118.966 118.966 117.652 1.314 17588 10438 1 18 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.023 0.006 17588 10439 1 18 . 1 1 76 76 LYS C C 76 176.868 176.868 177.009 -0.141 17588 10440 1 18 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.662 -0.165 17588 10441 1 18 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.889 -1.204 17588 10442 1 18 . 1 1 76 76 LYS H H 76 7.630 7.630 8.054 -0.424 17588 10443 1 18 . 1 1 77 77 GLY N N 77 107.310 107.310 105.997 1.313 17588 10444 1 18 . 1 1 77 77 GLY C C 77 175.407 175.407 173.778 1.629 17588 10445 1 18 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.684 0.505 17588 10446 1 18 . 1 1 77 77 GLY H H 77 7.901 7.901 7.700 0.201 17588 10447 1 18 . 1 1 78 78 TYR N N 78 117.917 117.917 119.155 -1.238 17588 10448 1 18 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.937 0.355 17588 10449 1 18 . 1 1 78 78 TYR C C 78 178.422 178.422 175.315 3.107 17588 10450 1 18 . 1 1 78 78 TYR CA C 78 55.545 55.545 55.758 -0.214 17588 10451 1 18 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.706 -3.925 17588 10452 1 18 . 1 1 78 78 TYR H H 78 7.506 7.506 8.016 -0.510 17588 10453 1 18 . 1 1 79 79 THR N N 79 119.420 119.420 115.426 3.994 17588 10454 1 18 . 1 1 79 79 THR HA H 79 4.518 4.518 4.758 -0.240 17588 10455 1 18 . 1 1 79 79 THR C C 79 175.648 175.648 175.663 -0.015 17588 10456 1 18 . 1 1 79 79 THR CA C 79 60.027 60.027 59.715 0.312 17588 10457 1 18 . 1 1 79 79 THR CB C 79 71.622 71.622 70.495 1.127 17588 10458 1 18 . 1 1 79 79 THR H H 79 8.957 8.957 8.390 0.567 17588 10459 1 18 . 1 1 80 80 LEU N N 80 119.655 119.655 123.698 -4.043 17588 10460 1 18 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.165 0.015 17588 10461 1 18 . 1 1 80 80 LEU C C 80 180.085 180.085 178.788 1.297 17588 10462 1 18 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.621 0.292 17588 10463 1 18 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.893 -2.240 17588 10464 1 18 . 1 1 80 80 LEU H H 80 9.005 9.005 8.911 0.094 17588 10465 1 18 . 1 1 81 81 THR N N 81 115.259 115.259 113.523 1.736 17588 10466 1 18 . 1 1 81 81 THR HA H 81 3.939 3.939 4.034 -0.095 17588 10467 1 18 . 1 1 81 81 THR C C 81 177.000 177.000 176.955 0.045 17588 10468 1 18 . 1 1 81 81 THR CA C 81 66.349 66.349 66.062 0.287 17588 10469 1 18 . 1 1 81 81 THR CB C 81 68.591 68.591 68.452 0.139 17588 10470 1 18 . 1 1 81 81 THR H H 81 8.135 8.135 7.935 0.200 17588 10471 1 18 . 1 1 82 82 GLN N N 82 121.304 121.304 120.071 1.233 17588 10472 1 18 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.814 -0.161 17588 10473 1 18 . 1 1 82 82 GLN C C 82 178.354 178.354 178.136 0.218 17588 10474 1 18 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.804 -0.164 17588 10475 1 18 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.417 0.497 17588 10476 1 18 . 1 1 82 82 GLN H H 82 7.641 7.641 7.576 0.065 17588 10477 1 18 . 1 1 83 83 MET N N 83 117.464 117.464 119.390 -1.926 17588 10478 1 18 . 1 1 83 83 MET HA H 83 4.425 4.425 3.947 0.478 17588 10479 1 18 . 1 1 83 83 MET C C 83 177.906 177.906 177.898 0.008 17588 10480 1 18 . 1 1 83 83 MET CA C 83 55.462 55.462 57.991 -2.529 17588 10481 1 18 . 1 1 83 83 MET CB C 83 29.014 29.014 32.273 -3.259 17588 10482 1 18 . 1 1 83 83 MET H H 83 8.665 8.665 8.647 0.018 17588 10483 1 18 . 1 1 84 84 SER N N 84 114.879 114.879 115.359 -0.480 17588 10484 1 18 . 1 1 84 84 SER HA H 84 3.689 3.689 3.907 -0.218 17588 10485 1 18 . 1 1 84 84 SER C C 84 176.666 176.666 175.757 0.909 17588 10486 1 18 . 1 1 84 84 SER CA C 84 61.347 61.347 61.518 -0.171 17588 10487 1 18 . 1 1 84 84 SER CB C 84 62.356 62.356 62.623 -0.267 17588 10488 1 18 . 1 1 84 84 SER H H 84 8.607 8.607 8.025 0.582 17588 10489 1 18 . 1 1 85 85 ASN N N 85 117.904 117.904 118.578 -0.674 17588 10490 1 18 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.356 0.059 17588 10491 1 18 . 1 1 85 85 ASN C C 85 177.997 177.997 177.179 0.818 17588 10492 1 18 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.353 0.600 17588 10493 1 18 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.691 0.569 17588 10494 1 18 . 1 1 85 85 ASN H H 85 7.204 7.204 7.398 -0.194 17588 10495 1 18 . 1 1 86 86 PHE N N 86 118.316 118.316 117.794 0.522 17588 10496 1 18 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.332 0.096 17588 10497 1 18 . 1 1 86 86 PHE C C 86 177.478 177.478 176.044 1.434 17588 10498 1 18 . 1 1 86 86 PHE CA C 86 58.394 58.394 59.938 -1.544 17588 10499 1 18 . 1 1 86 86 PHE CB C 86 38.835 38.835 39.197 -0.362 17588 10500 1 18 . 1 1 86 86 PHE H H 86 8.367 8.367 7.336 1.031 17588 10501 1 18 . 1 1 87 87 LEU N N 87 112.533 112.533 117.423 -4.890 17588 10502 1 18 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.239 -0.139 17588 10503 1 18 . 1 1 87 87 LEU C C 87 176.474 176.474 176.018 0.456 17588 10504 1 18 . 1 1 87 87 LEU CA C 87 54.549 54.549 53.559 0.991 17588 10505 1 18 . 1 1 87 87 LEU CB C 87 41.371 41.371 41.053 0.318 17588 10506 1 18 . 1 1 87 87 LEU H H 87 7.778 7.778 7.577 0.201 17588 10507 1 18 . 1 1 88 88 LYS N N 88 119.798 119.798 121.896 -2.098 17588 10508 1 18 . 1 1 88 88 LYS HA H 88 4.248 4.248 3.977 0.271 17588 10509 1 18 . 1 1 88 88 LYS C C 88 176.594 176.594 176.952 -0.358 17588 10510 1 18 . 1 1 88 88 LYS CA C 88 57.674 57.674 56.582 1.092 17588 10511 1 18 . 1 1 88 88 LYS CB C 88 32.671 32.671 31.013 1.658 17588 10512 1 18 . 1 1 88 88 LYS H H 88 7.328 7.328 7.778 -0.450 17588 10513 1 18 . 1 1 89 89 SER N N 89 117.937 117.937 121.086 -3.149 17588 10514 1 18 . 1 1 89 89 SER HA H 89 4.785 4.785 4.647 0.138 17588 10515 1 18 . 1 1 89 89 SER CA C 89 57.375 57.375 57.138 0.237 17588 10516 1 18 . 1 1 89 89 SER CB C 89 64.838 64.838 62.293 2.545 17588 10517 1 18 . 1 1 89 89 SER H H 89 8.197 8.197 8.623 -0.426 17588 10518 1 18 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.966 0.188 17588 10519 1 18 . 1 1 90 90 LYS C C 90 177.472 177.472 176.375 1.097 17588 10520 1 18 . 1 1 90 90 LYS CA C 90 58.394 58.394 58.395 -0.001 17588 10521 1 18 . 1 1 90 90 LYS CB C 90 31.767 31.767 32.433 -0.666 17588 10522 1 18 . 1 1 90 90 LYS H H 90 7.981 7.981 8.148 -0.167 17588 10523 1 18 . 1 1 91 91 THR N N 91 113.435 113.435 114.333 -0.898 17588 10524 1 18 . 1 1 91 91 THR HA H 91 4.342 4.342 4.295 0.047 17588 10525 1 18 . 1 1 91 91 THR C C 91 174.236 174.236 173.936 0.300 17588 10526 1 18 . 1 1 91 91 THR CA C 91 61.203 61.203 62.965 -1.762 17588 10527 1 18 . 1 1 91 91 THR CB C 91 69.254 69.254 69.910 -0.656 17588 10528 1 18 . 1 1 91 91 THR H H 91 7.942 7.942 7.615 0.327 17588 10529 1 18 . 1 1 92 92 ALA N N 92 129.685 129.685 124.976 4.709 17588 10530 1 18 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.074 0.104 17588 10531 1 18 . 1 1 92 92 ALA C C 92 178.710 178.710 177.725 0.985 17588 10532 1 18 . 1 1 92 92 ALA CA C 92 53.583 53.583 52.547 1.036 17588 10533 1 18 . 1 1 92 92 ALA CB C 92 18.081 18.081 17.281 0.800 17588 10534 1 18 . 1 1 92 92 ALA H H 92 8.603 8.603 8.342 0.261 17588 10535 1 18 . 1 1 93 93 GLY N N 93 109.919 109.919 110.780 -0.861 17588 10536 1 18 . 1 1 93 93 GLY C C 93 176.310 176.310 173.582 2.728 17588 10537 1 18 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.535 -0.030 17588 10538 1 18 . 1 1 93 93 GLY H H 93 8.823 8.823 8.168 0.655 17588 10539 1 18 . 1 1 94 94 LYS N N 94 120.949 120.949 123.375 -2.426 17588 10540 1 18 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.240 -0.448 17588 10541 1 18 . 1 1 94 94 LYS C C 94 177.630 177.630 176.180 1.450 17588 10542 1 18 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.409 3.197 17588 10543 1 18 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.576 -0.330 17588 10544 1 18 . 1 1 94 94 LYS H H 94 7.501 7.501 8.376 -0.875 17588 10545 1 18 . 1 1 95 95 TYR N N 95 113.034 113.034 117.713 -4.679 17588 10546 1 18 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.798 0.249 17588 10547 1 18 . 1 1 95 95 TYR C C 95 176.649 176.649 175.411 1.238 17588 10548 1 18 . 1 1 95 95 TYR CA C 95 56.936 56.936 56.800 0.136 17588 10549 1 18 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.964 1.036 17588 10550 1 18 . 1 1 95 95 TYR H H 95 8.670 8.670 8.261 0.409 17588 10551 1 18 . 1 1 96 96 ASP N N 96 123.097 123.097 121.810 1.287 17588 10552 1 18 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.567 -0.238 17588 10553 1 18 . 1 1 96 96 ASP C C 96 178.087 178.087 178.224 -0.137 17588 10554 1 18 . 1 1 96 96 ASP CA C 96 58.619 58.619 57.014 1.605 17588 10555 1 18 . 1 1 96 96 ASP CB C 96 39.570 39.570 41.191 -1.621 17588 10556 1 18 . 1 1 96 96 ASP H H 96 7.756 7.756 8.550 -0.794 17588 10557 1 18 . 1 1 97 97 ARG N N 97 118.384 118.384 119.896 -1.512 17588 10558 1 18 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.128 0.134 17588 10559 1 18 . 1 1 97 97 ARG C C 97 179.927 179.927 178.363 1.564 17588 10560 1 18 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.507 0.239 17588 10561 1 18 . 1 1 97 97 ARG CB C 97 29.794 29.794 30.195 -0.401 17588 10562 1 18 . 1 1 97 97 ARG H H 97 8.897 8.897 8.612 0.285 17588 10563 1 18 . 1 1 98 98 VAL N N 98 119.642 119.642 117.693 1.949 17588 10564 1 18 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.133 -0.195 17588 10565 1 18 . 1 1 98 98 VAL C C 98 179.630 179.630 179.069 0.561 17588 10566 1 18 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.512 0.292 17588 10567 1 18 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.400 0.654 17588 10568 1 18 . 1 1 98 98 VAL H H 98 7.578 7.578 7.919 -0.341 17588 10569 1 18 . 1 1 99 99 TYR N N 99 122.432 122.432 121.869 0.563 17588 10570 1 18 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.070 -0.136 17588 10571 1 18 . 1 1 99 99 TYR C C 99 176.400 176.400 177.716 -1.316 17588 10572 1 18 . 1 1 99 99 TYR CA C 99 62.906 62.906 62.146 0.760 17588 10573 1 18 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.296 0.026 17588 10574 1 18 . 1 1 99 99 TYR H H 99 8.635 8.635 7.970 0.665 17588 10575 1 18 . 1 1 100 100 ASN N N 100 117.211 117.211 117.193 0.018 17588 10576 1 18 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.215 0.071 17588 10577 1 18 . 1 1 100 100 ASN C C 100 178.488 178.488 177.988 0.500 17588 10578 1 18 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.350 -0.494 17588 10579 1 18 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.800 0.049 17588 10580 1 18 . 1 1 100 100 ASN H H 100 9.024 9.024 8.771 0.253 17588 10581 1 18 . 1 1 101 101 GLY N N 101 105.413 105.413 107.366 -1.953 17588 10582 1 18 . 1 1 101 101 GLY C C 101 175.833 175.833 175.589 0.244 17588 10583 1 18 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.089 -0.057 17588 10584 1 18 . 1 1 101 101 GLY H H 101 7.908 7.908 7.906 0.002 17588 10585 1 18 . 1 1 102 102 TYR N N 102 126.373 126.373 123.124 3.249 17588 10586 1 18 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.869 -0.402 17588 10587 1 18 . 1 1 102 102 TYR C C 102 176.016 176.016 177.688 -1.672 17588 10588 1 18 . 1 1 102 102 TYR CA C 102 59.553 59.553 59.649 -0.096 17588 10589 1 18 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.400 -0.510 17588 10590 1 18 . 1 1 102 102 TYR H H 102 7.581 7.581 7.322 0.259 17588 10591 1 18 . 1 1 103 103 VAL N N 103 117.870 117.870 118.771 -0.901 17588 10592 1 18 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.316 -0.174 17588 10593 1 18 . 1 1 103 103 VAL C C 103 178.786 178.786 177.977 0.809 17588 10594 1 18 . 1 1 103 103 VAL CA C 103 66.577 66.577 67.049 -0.472 17588 10595 1 18 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.912 0.835 17588 10596 1 18 . 1 1 103 103 VAL H H 103 7.510 7.510 7.735 -0.225 17588 10597 1 18 . 1 1 104 104 ILE N N 104 116.770 116.770 118.656 -1.886 17588 10598 1 18 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.825 -0.133 17588 10599 1 18 . 1 1 104 104 ILE C C 104 178.703 178.703 178.303 0.400 17588 10600 1 18 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.872 -1.035 17588 10601 1 18 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.545 0.387 17588 10602 1 18 . 1 1 104 104 ILE H H 104 7.056 7.056 7.421 -0.365 17588 10603 1 18 . 1 1 105 105 HIS N N 105 121.324 121.324 119.095 2.229 17588 10604 1 18 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.225 -0.273 17588 10605 1 18 . 1 1 105 105 HIS C C 105 176.974 176.974 177.065 -0.091 17588 10606 1 18 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.472 0.678 17588 10607 1 18 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.928 0.596 17588 10608 1 18 . 1 1 105 105 HIS H H 105 7.864 7.864 7.326 0.538 17588 10609 1 18 . 1 1 106 106 LEU N N 106 115.126 115.126 119.309 -4.183 17588 10610 1 18 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.405 -0.570 17588 10611 1 18 . 1 1 106 106 LEU C C 106 177.315 177.315 178.450 -1.135 17588 10612 1 18 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.019 -1.312 17588 10613 1 18 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.273 0.768 17588 10614 1 18 . 1 1 106 106 LEU H H 106 7.517 7.517 7.698 -0.181 17588 10615 1 18 . 1 1 107 107 ASP N N 107 119.221 119.221 118.883 0.338 17588 10616 1 18 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.271 0.230 17588 10617 1 18 . 1 1 107 107 ASP C C 107 175.224 175.224 177.192 -1.968 17588 10618 1 18 . 1 1 107 107 ASP CA C 107 54.618 54.618 56.104 -1.486 17588 10619 1 18 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.799 -0.034 17588 10620 1 18 . 1 1 107 107 ASP H H 107 7.512 7.512 8.124 -0.612 17588 10621 1 19 . 1 1 6 6 SER HA H 6 4.480 4.480 5.108 -0.628 17588 10622 1 19 . 1 1 6 6 SER C C 6 174.995 174.995 172.903 2.092 17588 10623 1 19 . 1 1 6 6 SER CA C 6 58.675 58.675 57.365 1.310 17588 10624 1 19 . 1 1 6 6 SER CB C 6 63.822 63.822 63.626 0.196 17588 10625 1 19 . 1 1 7 7 GLY N N 7 110.458 110.458 108.935 1.523 17588 10626 1 19 . 1 1 7 7 GLY C C 7 173.853 173.853 172.899 0.954 17588 10627 1 19 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.352 -0.006 17588 10628 1 19 . 1 1 7 7 GLY H H 7 8.394 8.394 8.578 -0.184 17588 10629 1 19 . 1 1 8 8 ASN N N 8 119.020 119.020 116.242 2.778 17588 10630 1 19 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.738 0.019 17588 10631 1 19 . 1 1 8 8 ASN C C 8 175.389 175.389 174.077 1.312 17588 10632 1 19 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.745 0.486 17588 10633 1 19 . 1 1 8 8 ASN CB C 8 38.959 38.959 40.032 -1.073 17588 10634 1 19 . 1 1 8 8 ASN H H 8 8.308 8.308 8.163 0.145 17588 10635 1 19 . 1 1 9 9 VAL N N 9 120.281 120.281 120.728 -0.447 17588 10636 1 19 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.382 -0.267 17588 10637 1 19 . 1 1 9 9 VAL C C 9 175.980 175.980 174.978 1.002 17588 10638 1 19 . 1 1 9 9 VAL CA C 9 62.468 62.468 61.175 1.293 17588 10639 1 19 . 1 1 9 9 VAL CB C 9 32.712 32.712 33.371 -0.659 17588 10640 1 19 . 1 1 9 9 VAL H H 9 8.173 8.173 8.347 -0.174 17588 10641 1 19 . 1 1 10 10 ASP N N 10 123.840 123.840 125.531 -1.691 17588 10642 1 19 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.910 -0.286 17588 10643 1 19 . 1 1 10 10 ASP C C 10 176.599 176.599 175.042 1.557 17588 10644 1 19 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.572 0.818 17588 10645 1 19 . 1 1 10 10 ASP CB C 10 41.343 41.343 42.584 -1.241 17588 10646 1 19 . 1 1 10 10 ASP H H 10 8.418 8.418 8.497 -0.079 17588 10647 1 19 . 1 1 11 11 SER N N 11 117.003 117.003 114.702 2.301 17588 10648 1 19 . 1 1 11 11 SER HA H 11 4.395 4.395 4.714 -0.319 17588 10649 1 19 . 1 1 11 11 SER C C 11 174.834 174.834 173.424 1.410 17588 10650 1 19 . 1 1 11 11 SER CA C 11 58.886 58.886 57.563 1.323 17588 10651 1 19 . 1 1 11 11 SER CB C 11 63.740 63.740 64.818 -1.078 17588 10652 1 19 . 1 1 11 11 SER H H 11 8.312 8.312 8.401 -0.089 17588 10653 1 19 . 1 1 12 12 ASN N N 12 120.512 120.512 118.857 1.655 17588 10654 1 19 . 1 1 12 12 ASN HA H 12 4.685 4.685 5.021 -0.336 17588 10655 1 19 . 1 1 12 12 ASN C C 12 175.646 175.646 173.583 2.063 17588 10656 1 19 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.803 0.989 17588 10657 1 19 . 1 1 12 12 ASN CB C 12 38.630 38.630 40.605 -1.976 17588 10658 1 19 . 1 1 12 12 ASN H H 12 8.511 8.511 8.829 -0.318 17588 10659 1 19 . 1 1 13 13 GLN N N 13 120.057 120.057 119.540 0.517 17588 10660 1 19 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.782 -0.544 17588 10661 1 19 . 1 1 13 13 GLN C C 13 175.988 175.988 174.414 1.574 17588 10662 1 19 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.081 1.365 17588 10663 1 19 . 1 1 13 13 GLN CB C 13 29.137 29.137 31.464 -2.327 17588 10664 1 19 . 1 1 13 13 GLN H H 13 8.258 8.258 8.755 -0.497 17588 10665 1 19 . 1 1 14 14 ASN N N 14 119.323 119.323 117.729 1.594 17588 10666 1 19 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.805 -0.120 17588 10667 1 19 . 1 1 14 14 ASN C C 14 175.552 175.552 174.040 1.512 17588 10668 1 19 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.475 1.090 17588 10669 1 19 . 1 1 14 14 ASN CB C 14 38.763 38.763 40.615 -1.852 17588 10670 1 19 . 1 1 14 14 ASN H H 14 8.377 8.377 8.269 0.108 17588 10671 1 19 . 1 1 15 15 LYS N N 15 121.938 121.938 120.471 1.467 17588 10672 1 19 . 1 1 15 15 LYS HA H 15 4.214 4.214 5.079 -0.865 17588 10673 1 19 . 1 1 15 15 LYS C C 15 176.933 176.933 174.511 2.422 17588 10674 1 19 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.676 1.559 17588 10675 1 19 . 1 1 15 15 LYS CB C 15 32.753 32.753 34.927 -2.174 17588 10676 1 19 . 1 1 15 15 LYS H H 15 8.224 8.224 8.730 -0.506 17588 10677 1 19 . 1 1 16 16 ALA N N 16 123.956 123.956 124.679 -0.723 17588 10678 1 19 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.706 -0.432 17588 10679 1 19 . 1 1 16 16 ALA C C 16 178.593 178.593 175.784 2.809 17588 10680 1 19 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.378 2.064 17588 10681 1 19 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.731 -1.868 17588 10682 1 19 . 1 1 16 16 ALA H H 16 8.292 8.292 8.275 0.017 17588 10683 1 19 . 1 1 17 17 SER N N 17 114.462 114.462 115.710 -1.248 17588 10684 1 19 . 1 1 17 17 SER HA H 17 4.365 4.365 4.604 -0.239 17588 10685 1 19 . 1 1 17 17 SER C C 17 175.370 175.370 174.308 1.062 17588 10686 1 19 . 1 1 17 17 SER CA C 17 59.077 59.077 57.507 1.570 17588 10687 1 19 . 1 1 17 17 SER CB C 17 63.383 63.383 63.194 0.189 17588 10688 1 19 . 1 1 17 17 SER H H 17 8.200 8.200 8.398 -0.198 17588 10689 1 19 . 1 1 18 18 MET N N 18 121.999 121.999 126.289 -4.290 17588 10690 1 19 . 1 1 18 18 MET HA H 18 4.429 4.429 4.388 0.041 17588 10691 1 19 . 1 1 18 18 MET C C 18 176.829 176.829 175.578 1.251 17588 10692 1 19 . 1 1 18 18 MET CA C 18 56.357 56.357 56.519 -0.162 17588 10693 1 19 . 1 1 18 18 MET CB C 18 32.630 32.630 33.250 -0.620 17588 10694 1 19 . 1 1 18 18 MET H H 18 8.214 8.214 8.800 -0.586 17588 10695 1 19 . 1 1 19 19 LEU N N 19 122.083 122.083 123.674 -1.591 17588 10696 1 19 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.639 -0.383 17588 10697 1 19 . 1 1 19 19 LEU C C 19 177.774 177.774 175.507 2.267 17588 10698 1 19 . 1 1 19 19 LEU CA C 19 56.111 56.111 54.758 1.353 17588 10699 1 19 . 1 1 19 19 LEU CB C 19 42.041 42.041 44.354 -2.313 17588 10700 1 19 . 1 1 19 19 LEU H H 19 8.076 8.076 8.386 -0.310 17588 10701 1 19 . 1 1 20 20 GLN N N 20 120.123 120.123 122.127 -2.004 17588 10702 1 19 . 1 1 20 20 GLN HA H 20 4.207 4.207 5.084 -0.877 17588 10703 1 19 . 1 1 20 20 GLN C C 20 176.166 176.166 173.788 2.378 17588 10704 1 19 . 1 1 20 20 GLN CA C 20 56.409 56.409 54.918 1.491 17588 10705 1 19 . 1 1 20 20 GLN CB C 20 29.196 29.196 30.951 -1.755 17588 10706 1 19 . 1 1 20 20 GLN H H 20 8.174 8.174 8.685 -0.511 17588 10707 1 19 . 1 1 21 21 ALA N N 21 124.216 124.216 123.041 1.175 17588 10708 1 19 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.823 -0.569 17588 10709 1 19 . 1 1 21 21 ALA C C 21 178.034 178.034 175.934 2.100 17588 10710 1 19 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.729 1.397 17588 10711 1 19 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.758 -1.687 17588 10712 1 19 . 1 1 21 21 ALA H H 21 8.151 8.151 8.430 -0.279 17588 10713 1 19 . 1 1 22 22 ARG N N 22 119.591 119.591 119.692 -0.101 17588 10714 1 19 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.778 -0.470 17588 10715 1 19 . 1 1 22 22 ARG C C 22 176.750 176.750 174.822 1.928 17588 10716 1 19 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.806 0.621 17588 10717 1 19 . 1 1 22 22 ARG CB C 22 30.616 30.616 31.177 -0.561 17588 10718 1 19 . 1 1 22 22 ARG H H 22 8.147 8.147 8.449 -0.302 17588 10719 1 19 . 1 1 23 23 LEU N N 23 122.553 122.553 120.386 2.167 17588 10720 1 19 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.934 -0.660 17588 10721 1 19 . 1 1 23 23 LEU C C 23 177.547 177.547 175.097 2.450 17588 10722 1 19 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.136 1.554 17588 10723 1 19 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.653 -1.571 17588 10724 1 19 . 1 1 23 23 LEU H H 23 8.220 8.220 8.211 0.009 17588 10725 1 19 . 1 1 24 24 ASN N N 24 118.666 118.666 115.821 2.845 17588 10726 1 19 . 1 1 24 24 ASN HA H 24 4.673 4.673 5.335 -0.662 17588 10727 1 19 . 1 1 24 24 ASN C C 24 175.246 175.246 172.988 2.258 17588 10728 1 19 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.441 1.123 17588 10729 1 19 . 1 1 24 24 ASN CB C 24 38.836 38.836 40.696 -1.860 17588 10730 1 19 . 1 1 24 24 ASN H H 24 8.351 8.351 9.146 -0.795 17588 10731 1 19 . 1 1 25 25 ASP N N 25 120.897 120.897 119.090 1.807 17588 10732 1 19 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.867 -0.291 17588 10733 1 19 . 1 1 25 25 ASP C C 25 176.732 176.732 175.118 1.614 17588 10734 1 19 . 1 1 25 25 ASP CA C 25 54.706 54.706 53.857 0.849 17588 10735 1 19 . 1 1 25 25 ASP CB C 25 41.219 41.219 42.275 -1.056 17588 10736 1 19 . 1 1 25 25 ASP H H 25 8.234 8.234 8.504 -0.270 17588 10737 1 19 . 1 1 26 26 GLU N N 26 121.168 121.168 119.073 2.095 17588 10738 1 19 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.371 -0.157 17588 10739 1 19 . 1 1 26 26 GLU C C 26 176.857 176.857 175.996 0.861 17588 10740 1 19 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.496 1.751 17588 10741 1 19 . 1 1 26 26 GLU CB C 26 29.959 29.959 31.305 -1.346 17588 10742 1 19 . 1 1 26 26 GLU H H 26 8.368 8.368 8.463 -0.095 17588 10743 1 19 . 1 1 27 27 ALA N N 27 124.100 124.100 122.810 1.290 17588 10744 1 19 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.150 0.167 17588 10745 1 19 . 1 1 27 27 ALA C C 27 178.520 178.520 177.492 1.028 17588 10746 1 19 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.346 0.640 17588 10747 1 19 . 1 1 27 27 ALA CB C 27 18.945 18.945 17.855 1.090 17588 10748 1 19 . 1 1 27 27 ALA H H 27 8.289 8.289 8.531 -0.242 17588 10749 1 19 . 1 1 28 28 GLY N N 28 107.844 107.844 107.901 -0.057 17588 10750 1 19 . 1 1 28 28 GLY C C 28 175.019 175.019 174.355 0.664 17588 10751 1 19 . 1 1 28 28 GLY CA C 28 45.628 45.628 44.918 0.710 17588 10752 1 19 . 1 1 28 28 GLY H H 28 8.315 8.315 8.430 -0.115 17588 10753 1 19 . 1 1 29 29 GLY N N 29 108.754 108.754 106.604 2.150 17588 10754 1 19 . 1 1 29 29 GLY C C 29 174.659 174.659 173.225 1.434 17588 10755 1 19 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.038 0.448 17588 10756 1 19 . 1 1 29 29 GLY H H 29 8.266 8.266 8.766 -0.500 17588 10757 1 19 . 1 1 30 30 THR N N 30 114.068 114.068 113.884 0.184 17588 10758 1 19 . 1 1 30 30 THR HA H 30 4.301 4.301 4.561 -0.260 17588 10759 1 19 . 1 1 30 30 THR C C 30 174.789 174.789 173.745 1.044 17588 10760 1 19 . 1 1 30 30 THR CA C 30 62.327 62.327 61.869 0.458 17588 10761 1 19 . 1 1 30 30 THR CB C 30 69.553 69.553 70.172 -0.619 17588 10762 1 19 . 1 1 30 30 THR H H 30 8.111 8.111 8.167 -0.056 17588 10763 1 19 . 1 1 31 31 ARG N N 31 123.536 123.536 122.963 0.573 17588 10764 1 19 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.773 -0.474 17588 10765 1 19 . 1 1 31 31 ARG C C 31 176.125 176.125 175.473 0.652 17588 10766 1 19 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.544 0.918 17588 10767 1 19 . 1 1 31 31 ARG CB C 31 30.657 30.657 31.970 -1.313 17588 10768 1 19 . 1 1 31 31 ARG H H 31 8.343 8.343 8.389 -0.046 17588 10769 1 19 . 1 1 32 32 LEU N N 32 122.865 122.865 123.129 -0.264 17588 10770 1 19 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.658 -0.339 17588 10771 1 19 . 1 1 32 32 LEU C C 32 177.036 177.036 177.767 -0.731 17588 10772 1 19 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.080 1.153 17588 10773 1 19 . 1 1 32 32 LEU CB C 32 42.264 42.264 42.720 -0.456 17588 10774 1 19 . 1 1 32 32 LEU H H 32 8.203 8.203 8.408 -0.205 17588 10775 1 19 . 1 1 33 33 LEU N N 33 123.054 123.054 122.182 0.872 17588 10776 1 19 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.496 -0.160 17588 10777 1 19 . 1 1 33 33 LEU C C 33 177.022 177.022 176.403 0.619 17588 10778 1 19 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.790 0.279 17588 10779 1 19 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.723 -0.435 17588 10780 1 19 . 1 1 33 33 LEU H H 33 8.150 8.150 8.324 -0.174 17588 10781 1 19 . 1 1 34 34 ARG N N 34 122.226 122.226 120.254 1.972 17588 10782 1 19 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.641 -0.304 17588 10783 1 19 . 1 1 34 34 ARG C C 34 175.950 175.950 175.050 0.900 17588 10784 1 19 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.215 0.703 17588 10785 1 19 . 1 1 34 34 ARG CB C 34 30.781 30.781 30.472 0.309 17588 10786 1 19 . 1 1 34 34 ARG H H 34 8.248 8.248 8.393 -0.145 17588 10787 1 19 . 1 1 35 35 VAL N N 35 121.294 121.294 122.505 -1.211 17588 10788 1 19 . 1 1 35 35 VAL HA H 35 4.041 4.041 3.820 0.221 17588 10789 1 19 . 1 1 35 35 VAL C C 35 175.709 175.709 175.396 0.313 17588 10790 1 19 . 1 1 35 35 VAL CA C 35 62.240 62.240 62.452 -0.212 17588 10791 1 19 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.068 0.685 17588 10792 1 19 . 1 1 35 35 VAL H H 35 8.107 8.107 8.428 -0.321 17588 10793 1 19 . 1 1 36 36 HIS N N 36 123.522 123.522 122.362 1.160 17588 10794 1 19 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.953 -0.355 17588 10795 1 19 . 1 1 36 36 HIS C C 36 174.825 174.825 174.720 0.105 17588 10796 1 19 . 1 1 36 36 HIS CA C 36 56.111 56.111 54.546 1.565 17588 10797 1 19 . 1 1 36 36 HIS CB C 36 30.944 30.944 31.431 -0.487 17588 10798 1 19 . 1 1 36 36 HIS H H 36 8.410 8.410 7.687 0.723 17588 10799 1 19 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.727 -0.127 17588 10800 1 19 . 1 1 37 37 HIS C C 37 175.173 175.173 174.746 0.427 17588 10801 1 19 . 1 1 37 37 HIS CA C 37 56.217 56.217 55.446 0.771 17588 10802 1 19 . 1 1 37 37 HIS CB C 37 31.027 31.027 30.241 0.786 17588 10803 1 19 . 1 1 38 38 GLU N N 38 122.826 122.826 125.766 -2.940 17588 10804 1 19 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.513 -0.258 17588 10805 1 19 . 1 1 38 38 GLU C C 38 176.483 176.483 175.917 0.566 17588 10806 1 19 . 1 1 38 38 GLU CA C 38 56.919 56.919 56.074 0.845 17588 10807 1 19 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.682 -0.354 17588 10808 1 19 . 1 1 38 38 GLU H H 38 8.569 8.569 8.663 -0.094 17588 10809 1 19 . 1 1 39 39 SER N N 39 116.398 116.398 119.534 -3.136 17588 10810 1 19 . 1 1 39 39 SER HA H 39 4.454 4.454 4.736 -0.282 17588 10811 1 19 . 1 1 39 39 SER C C 39 174.497 174.497 173.895 0.602 17588 10812 1 19 . 1 1 39 39 SER CA C 39 58.552 58.552 57.596 0.956 17588 10813 1 19 . 1 1 39 39 SER CB C 39 64.028 64.028 64.898 -0.870 17588 10814 1 19 . 1 1 39 39 SER H H 39 8.444 8.444 8.465 -0.021 17588 10815 1 19 . 1 1 40 40 ASP N N 40 122.831 122.831 122.441 0.390 17588 10816 1 19 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.891 -0.219 17588 10817 1 19 . 1 1 40 40 ASP C C 40 176.783 176.783 175.249 1.534 17588 10818 1 19 . 1 1 40 40 ASP CA C 40 54.759 54.759 54.448 0.311 17588 10819 1 19 . 1 1 40 40 ASP CB C 40 41.014 41.014 43.145 -2.131 17588 10820 1 19 . 1 1 40 40 ASP H H 40 8.469 8.469 8.621 -0.152 17588 10821 1 19 . 1 1 41 41 THR N N 41 113.679 113.679 114.124 -0.445 17588 10822 1 19 . 1 1 41 41 THR HA H 41 4.181 4.181 4.308 -0.127 17588 10823 1 19 . 1 1 41 41 THR C C 41 175.314 175.314 173.270 2.044 17588 10824 1 19 . 1 1 41 41 THR CA C 41 62.819 62.819 62.199 0.620 17588 10825 1 19 . 1 1 41 41 THR CB C 41 69.576 69.576 69.545 0.031 17588 10826 1 19 . 1 1 41 41 THR H H 41 8.066 8.066 8.222 -0.156 17588 10827 1 19 . 1 1 42 42 GLU N N 42 122.776 122.776 126.732 -3.956 17588 10828 1 19 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.665 -0.457 17588 10829 1 19 . 1 1 42 42 GLU C C 42 177.129 177.129 175.854 1.275 17588 10830 1 19 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.367 0.955 17588 10831 1 19 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.815 -0.815 17588 10832 1 19 . 1 1 42 42 GLU H H 42 8.343 8.343 8.750 -0.407 17588 10833 1 19 . 1 1 43 43 GLU N N 43 121.898 121.898 123.676 -1.778 17588 10834 1 19 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.331 -0.120 17588 10835 1 19 . 1 1 43 43 GLU C C 43 177.313 177.313 176.303 1.010 17588 10836 1 19 . 1 1 43 43 GLU CA C 43 57.453 57.453 56.879 0.574 17588 10837 1 19 . 1 1 43 43 GLU CB C 43 29.959 29.959 30.327 -0.368 17588 10838 1 19 . 1 1 43 43 GLU H H 43 8.397 8.397 8.875 -0.478 17588 10839 1 19 . 1 1 44 44 ARG N N 44 121.336 121.336 120.112 1.224 17588 10840 1 19 . 1 1 44 44 ARG HA H 44 4.226 4.226 3.998 0.228 17588 10841 1 19 . 1 1 44 44 ARG C C 44 178.048 178.048 176.117 1.931 17588 10842 1 19 . 1 1 44 44 ARG CA C 44 57.779 57.779 56.989 0.790 17588 10843 1 19 . 1 1 44 44 ARG CB C 44 30.366 30.366 28.179 2.187 17588 10844 1 19 . 1 1 44 44 ARG H H 44 8.401 8.401 8.508 -0.107 17588 10845 1 19 . 1 1 45 45 GLY N N 45 109.098 109.098 106.252 2.846 17588 10846 1 19 . 1 1 45 45 GLY C C 45 175.522 175.522 175.346 0.176 17588 10847 1 19 . 1 1 45 45 GLY CA C 45 46.400 46.400 44.883 1.517 17588 10848 1 19 . 1 1 45 45 GLY H H 45 8.536 8.536 8.230 0.306 17588 10849 1 19 . 1 1 46 46 PHE N N 46 121.592 121.592 122.985 -1.393 17588 10850 1 19 . 1 1 46 46 PHE HA H 46 4.417 4.417 3.970 0.447 17588 10851 1 19 . 1 1 46 46 PHE C C 46 177.561 177.561 176.316 1.245 17588 10852 1 19 . 1 1 46 46 PHE CA C 46 60.080 60.080 62.340 -2.260 17588 10853 1 19 . 1 1 46 46 PHE CB C 46 38.911 38.911 38.862 0.049 17588 10854 1 19 . 1 1 46 46 PHE H H 46 8.071 8.071 8.363 -0.292 17588 10855 1 19 . 1 1 47 47 LEU N N 47 121.344 121.344 118.749 2.595 17588 10856 1 19 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.702 0.340 17588 10857 1 19 . 1 1 47 47 LEU C C 47 179.621 179.621 178.896 0.725 17588 10858 1 19 . 1 1 47 47 LEU CA C 47 57.460 57.460 58.105 -0.645 17588 10859 1 19 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.640 -0.003 17588 10860 1 19 . 1 1 47 47 LEU H H 47 8.215 8.215 8.338 -0.123 17588 10861 1 19 . 1 1 48 48 GLU N N 48 121.986 121.986 119.019 2.967 17588 10862 1 19 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.630 0.358 17588 10863 1 19 . 1 1 48 48 GLU C C 48 177.573 177.573 178.159 -0.586 17588 10864 1 19 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.448 -0.141 17588 10865 1 19 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.060 0.588 17588 10866 1 19 . 1 1 48 48 GLU H H 48 8.225 8.225 8.277 -0.052 17588 10867 1 19 . 1 1 49 49 LYS N N 49 118.759 118.759 117.912 0.847 17588 10868 1 19 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.393 -0.150 17588 10869 1 19 . 1 1 49 49 LYS C C 49 177.659 177.659 178.442 -0.783 17588 10870 1 19 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.349 0.538 17588 10871 1 19 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.173 0.129 17588 10872 1 19 . 1 1 49 49 LYS H H 49 7.790 7.790 8.068 -0.278 17588 10873 1 19 . 1 1 50 50 ALA N N 50 120.023 120.023 121.140 -1.117 17588 10874 1 19 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.899 0.060 17588 10875 1 19 . 1 1 50 50 ALA C C 50 180.486 180.486 179.301 1.185 17588 10876 1 19 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.810 0.072 17588 10877 1 19 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.740 0.137 17588 10878 1 19 . 1 1 50 50 ALA H H 50 7.798 7.798 7.909 -0.111 17588 10879 1 19 . 1 1 51 51 ALA N N 51 121.955 121.955 121.724 0.231 17588 10880 1 19 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.951 0.162 17588 10881 1 19 . 1 1 51 51 ALA C C 51 180.762 180.762 179.555 1.207 17588 10882 1 19 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.076 0.035 17588 10883 1 19 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.023 0.018 17588 10884 1 19 . 1 1 51 51 ALA H H 51 7.809 7.809 7.606 0.203 17588 10885 1 19 . 1 1 52 52 VAL N N 52 120.415 120.415 118.108 2.307 17588 10886 1 19 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.545 0.105 17588 10887 1 19 . 1 1 52 52 VAL C C 52 178.567 178.567 178.445 0.122 17588 10888 1 19 . 1 1 52 52 VAL CA C 52 67.227 67.227 67.016 0.211 17588 10889 1 19 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.650 0.460 17588 10890 1 19 . 1 1 52 52 VAL H H 52 7.944 7.944 7.955 -0.011 17588 10891 1 19 . 1 1 53 53 LYS N N 53 119.231 119.231 119.400 -0.169 17588 10892 1 19 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.730 -0.166 17588 10893 1 19 . 1 1 53 53 LYS C C 53 178.546 178.546 178.790 -0.244 17588 10894 1 19 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.287 1.433 17588 10895 1 19 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.908 0.343 17588 10896 1 19 . 1 1 53 53 LYS H H 53 8.132 8.132 7.904 0.228 17588 10897 1 19 . 1 1 54 54 LYS N N 54 119.514 119.514 119.451 0.063 17588 10898 1 19 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.834 0.159 17588 10899 1 19 . 1 1 54 54 LYS C C 54 179.987 179.987 179.198 0.789 17588 10900 1 19 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.781 0.456 17588 10901 1 19 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.197 0.286 17588 10902 1 19 . 1 1 54 54 LYS H H 54 7.956 7.956 8.260 -0.304 17588 10903 1 19 . 1 1 55 55 MET N N 55 119.732 119.732 117.006 2.726 17588 10904 1 19 . 1 1 55 55 MET HA H 55 4.251 4.251 4.080 0.171 17588 10905 1 19 . 1 1 55 55 MET C C 55 177.536 177.536 178.330 -0.794 17588 10906 1 19 . 1 1 55 55 MET CA C 55 58.396 58.396 58.320 0.076 17588 10907 1 19 . 1 1 55 55 MET CB C 55 34.228 34.228 31.573 2.655 17588 10908 1 19 . 1 1 55 55 MET H H 55 7.816 7.816 7.889 -0.073 17588 10909 1 19 . 1 1 56 56 ALA N N 56 122.295 122.295 122.497 -0.202 17588 10910 1 19 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.047 0.105 17588 10911 1 19 . 1 1 56 56 ALA C C 56 179.615 179.615 179.845 -0.230 17588 10912 1 19 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.339 -0.001 17588 10913 1 19 . 1 1 56 56 ALA CB C 56 19.106 19.106 17.887 1.219 17588 10914 1 19 . 1 1 56 56 ALA H H 56 8.724 8.724 7.598 1.126 17588 10915 1 19 . 1 1 57 57 LYS N N 57 117.704 117.704 119.414 -1.710 17588 10916 1 19 . 1 1 57 57 LYS HA H 57 4.084 4.084 3.998 0.086 17588 10917 1 19 . 1 1 57 57 LYS C C 57 179.358 179.358 178.812 0.546 17588 10918 1 19 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.722 0.252 17588 10919 1 19 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.308 0.193 17588 10920 1 19 . 1 1 57 57 LYS H H 57 8.444 8.444 8.032 0.412 17588 10921 1 19 . 1 1 58 58 ALA N N 58 122.736 122.736 120.107 2.629 17588 10922 1 19 . 1 1 58 58 ALA HA H 58 4.171 4.171 3.984 0.187 17588 10923 1 19 . 1 1 58 58 ALA C C 58 180.708 180.708 179.561 1.147 17588 10924 1 19 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.040 0.071 17588 10925 1 19 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.318 -0.770 17588 10926 1 19 . 1 1 58 58 ALA H H 58 7.701 7.701 7.469 0.232 17588 10927 1 19 . 1 1 59 59 ILE N N 59 117.672 117.672 118.816 -1.144 17588 10928 1 19 . 1 1 59 59 ILE HA H 59 3.673 3.673 4.088 -0.415 17588 10929 1 19 . 1 1 59 59 ILE C C 59 177.728 177.728 178.146 -0.418 17588 10930 1 19 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.271 -0.293 17588 10931 1 19 . 1 1 59 59 ILE CB C 59 37.813 37.813 38.161 -0.348 17588 10932 1 19 . 1 1 59 59 ILE H H 59 7.547 7.547 7.811 -0.264 17588 10933 1 19 . 1 1 60 60 MET N N 60 117.653 117.653 116.830 0.823 17588 10934 1 19 . 1 1 60 60 MET HA H 60 4.098 4.098 4.076 0.022 17588 10935 1 19 . 1 1 60 60 MET C C 60 178.085 178.085 177.682 0.403 17588 10936 1 19 . 1 1 60 60 MET CA C 60 58.060 58.060 58.042 0.018 17588 10937 1 19 . 1 1 60 60 MET CB C 60 32.178 32.178 32.091 0.087 17588 10938 1 19 . 1 1 60 60 MET H H 60 7.718 7.718 8.228 -0.510 17588 10939 1 19 . 1 1 61 61 ALA N N 61 118.874 118.874 120.870 -1.996 17588 10940 1 19 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.333 -0.059 17588 10941 1 19 . 1 1 61 61 ALA C C 61 177.758 177.758 177.811 -0.053 17588 10942 1 19 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.890 0.552 17588 10943 1 19 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.972 -0.904 17588 10944 1 19 . 1 1 61 61 ALA H H 61 7.513 7.513 7.624 -0.111 17588 10945 1 19 . 1 1 62 62 ASP N N 62 115.735 115.735 119.050 -3.315 17588 10946 1 19 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.040 -0.107 17588 10947 1 19 . 1 1 62 62 ASP C C 62 172.960 172.960 174.609 -1.649 17588 10948 1 19 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.410 -0.286 17588 10949 1 19 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.517 -0.133 17588 10950 1 19 . 1 1 62 62 ASP H H 62 7.615 7.615 7.973 -0.358 17588 10951 1 19 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.374 0.072 17588 10952 1 19 . 1 1 63 63 PRO C C 63 179.157 179.157 178.004 1.153 17588 10953 1 19 . 1 1 63 63 PRO CA C 63 64.399 64.399 65.383 -0.984 17588 10954 1 19 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.399 -0.139 17588 10955 1 19 . 1 1 64 64 ASN N N 64 115.566 115.566 115.758 -0.192 17588 10956 1 19 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.512 0.040 17588 10957 1 19 . 1 1 64 64 ASN C C 64 176.867 176.867 177.569 -0.702 17588 10958 1 19 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.914 -0.593 17588 10959 1 19 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.479 0.422 17588 10960 1 19 . 1 1 64 64 ASN H H 64 8.094 8.094 8.734 -0.640 17588 10961 1 19 . 1 1 65 65 LYS N N 65 118.691 118.691 118.864 -0.173 17588 10962 1 19 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.003 0.175 17588 10963 1 19 . 1 1 65 65 LYS C C 65 175.844 175.844 177.850 -2.006 17588 10964 1 19 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.636 -2.401 17588 10965 1 19 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.919 0.958 17588 10966 1 19 . 1 1 65 65 LYS H H 65 8.185 8.185 7.389 0.796 17588 10967 1 19 . 1 1 66 66 ALA N N 66 120.147 120.147 122.524 -2.377 17588 10968 1 19 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.424 -0.382 17588 10969 1 19 . 1 1 66 66 ALA C C 66 176.697 176.697 178.963 -2.266 17588 10970 1 19 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.206 0.606 17588 10971 1 19 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.602 0.632 17588 10972 1 19 . 1 1 66 66 ALA H H 66 7.233 7.233 7.845 -0.612 17588 10973 1 19 . 1 1 67 67 ASP N N 67 114.524 114.524 118.249 -3.725 17588 10974 1 19 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.376 -0.203 17588 10975 1 19 . 1 1 67 67 ASP C C 67 178.071 178.071 178.169 -0.098 17588 10976 1 19 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.025 1.343 17588 10977 1 19 . 1 1 67 67 ASP CB C 67 40.644 40.644 39.540 1.104 17588 10978 1 19 . 1 1 67 67 ASP H H 67 8.114 8.114 7.866 0.248 17588 10979 1 19 . 1 1 68 68 GLU N N 68 117.486 117.486 121.247 -3.761 17588 10980 1 19 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.923 -0.030 17588 10981 1 19 . 1 1 68 68 GLU C C 68 178.885 178.885 179.043 -0.158 17588 10982 1 19 . 1 1 68 68 GLU CA C 68 58.745 58.745 59.109 -0.364 17588 10983 1 19 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.586 0.075 17588 10984 1 19 . 1 1 68 68 GLU H H 68 7.846 7.846 7.415 0.431 17588 10985 1 19 . 1 1 69 69 VAL N N 69 120.957 120.957 119.405 1.552 17588 10986 1 19 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.165 -0.119 17588 10987 1 19 . 1 1 69 69 VAL C C 69 176.618 176.618 178.112 -1.494 17588 10988 1 19 . 1 1 69 69 VAL CA C 69 66.453 66.453 67.037 -0.584 17588 10989 1 19 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.664 0.375 17588 10990 1 19 . 1 1 69 69 VAL H H 69 7.325 7.325 8.341 -1.016 17588 10991 1 19 . 1 1 70 70 TYR N N 70 117.638 117.638 117.287 0.351 17588 10992 1 19 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.001 0.174 17588 10993 1 19 . 1 1 70 70 TYR C C 70 178.493 178.493 177.999 0.494 17588 10994 1 19 . 1 1 70 70 TYR CA C 70 57.481 57.481 61.409 -3.928 17588 10995 1 19 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.740 -2.877 17588 10996 1 19 . 1 1 70 70 TYR H H 70 8.483 8.483 8.329 0.154 17588 10997 1 19 . 1 1 71 71 LYS N N 71 117.283 117.283 117.730 -0.447 17588 10998 1 19 . 1 1 71 71 LYS HA H 71 4.214 4.214 3.897 0.317 17588 10999 1 19 . 1 1 71 71 LYS C C 71 178.790 178.790 179.062 -0.272 17588 11000 1 19 . 1 1 71 71 LYS CA C 71 59.793 59.793 58.938 0.855 17588 11001 1 19 . 1 1 71 71 LYS CB C 71 32.507 32.507 31.527 0.980 17588 11002 1 19 . 1 1 71 71 LYS H H 71 7.754 7.754 7.767 -0.013 17588 11003 1 19 . 1 1 72 72 LYS N N 72 120.053 120.053 120.865 -0.812 17588 11004 1 19 . 1 1 72 72 LYS HA H 72 4.141 4.141 4.011 0.130 17588 11005 1 19 . 1 1 72 72 LYS C C 72 180.399 180.399 179.066 1.333 17588 11006 1 19 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.534 0.194 17588 11007 1 19 . 1 1 72 72 LYS CB C 72 32.014 32.014 31.941 0.073 17588 11008 1 19 . 1 1 72 72 LYS H H 72 7.386 7.386 7.802 -0.416 17588 11009 1 19 . 1 1 73 73 TRP N N 73 121.910 121.910 119.813 2.097 17588 11010 1 19 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.427 0.086 17588 11011 1 19 . 1 1 73 73 TRP C C 73 177.981 177.981 178.696 -0.715 17588 11012 1 19 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.528 -1.613 17588 11013 1 19 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.173 1.389 17588 11014 1 19 . 1 1 73 73 TRP H H 73 8.659 8.659 7.866 0.793 17588 11015 1 19 . 1 1 74 74 ALA N N 74 123.471 123.471 120.879 2.592 17588 11016 1 19 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.306 0.186 17588 11017 1 19 . 1 1 74 74 ALA C C 74 182.881 182.881 179.950 2.931 17588 11018 1 19 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.102 0.247 17588 11019 1 19 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.584 -0.192 17588 11020 1 19 . 1 1 74 74 ALA H H 74 9.137 9.137 8.048 1.089 17588 11021 1 19 . 1 1 75 75 ASP N N 75 121.896 121.896 117.625 4.271 17588 11022 1 19 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.451 0.013 17588 11023 1 19 . 1 1 75 75 ASP C C 75 178.714 178.714 178.544 0.170 17588 11024 1 19 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.979 0.115 17588 11025 1 19 . 1 1 75 75 ASP CB C 75 40.585 40.585 41.125 -0.540 17588 11026 1 19 . 1 1 75 75 ASP H H 75 8.804 8.804 7.802 1.002 17588 11027 1 19 . 1 1 76 76 LYS N N 76 118.966 118.966 116.862 2.104 17588 11028 1 19 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.039 -0.010 17588 11029 1 19 . 1 1 76 76 LYS C C 76 176.868 176.868 177.750 -0.882 17588 11030 1 19 . 1 1 76 76 LYS CA C 76 56.497 56.497 57.018 -0.521 17588 11031 1 19 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.855 -1.170 17588 11032 1 19 . 1 1 76 76 LYS H H 76 7.630 7.630 8.077 -0.447 17588 11033 1 19 . 1 1 77 77 GLY N N 77 107.310 107.310 105.294 2.016 17588 11034 1 19 . 1 1 77 77 GLY C C 77 175.407 175.407 173.897 1.510 17588 11035 1 19 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.716 0.473 17588 11036 1 19 . 1 1 77 77 GLY H H 77 7.901 7.901 7.795 0.106 17588 11037 1 19 . 1 1 78 78 TYR N N 78 117.917 117.917 119.346 -1.429 17588 11038 1 19 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.890 0.402 17588 11039 1 19 . 1 1 78 78 TYR C C 78 178.422 178.422 175.396 3.026 17588 11040 1 19 . 1 1 78 78 TYR CA C 78 55.545 55.545 57.087 -1.542 17588 11041 1 19 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.618 -3.837 17588 11042 1 19 . 1 1 78 78 TYR H H 78 7.506 7.506 7.322 0.184 17588 11043 1 19 . 1 1 79 79 THR N N 79 119.420 119.420 113.086 6.334 17588 11044 1 19 . 1 1 79 79 THR HA H 79 4.518 4.518 4.782 -0.264 17588 11045 1 19 . 1 1 79 79 THR C C 79 175.648 175.648 175.836 -0.188 17588 11046 1 19 . 1 1 79 79 THR CA C 79 60.027 60.027 60.123 -0.096 17588 11047 1 19 . 1 1 79 79 THR CB C 79 71.622 71.622 70.677 0.945 17588 11048 1 19 . 1 1 79 79 THR H H 79 8.957 8.957 8.447 0.510 17588 11049 1 19 . 1 1 80 80 LEU N N 80 119.655 119.655 126.127 -6.472 17588 11050 1 19 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.082 0.098 17588 11051 1 19 . 1 1 80 80 LEU C C 80 180.085 180.085 178.949 1.136 17588 11052 1 19 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.375 0.538 17588 11053 1 19 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.672 -2.019 17588 11054 1 19 . 1 1 80 80 LEU H H 80 9.005 9.005 8.798 0.207 17588 11055 1 19 . 1 1 81 81 THR N N 81 115.259 115.259 113.471 1.788 17588 11056 1 19 . 1 1 81 81 THR HA H 81 3.939 3.939 3.828 0.111 17588 11057 1 19 . 1 1 81 81 THR C C 81 177.000 177.000 177.012 -0.012 17588 11058 1 19 . 1 1 81 81 THR CA C 81 66.349 66.349 66.050 0.299 17588 11059 1 19 . 1 1 81 81 THR CB C 81 68.591 68.591 68.028 0.563 17588 11060 1 19 . 1 1 81 81 THR H H 81 8.135 8.135 7.769 0.366 17588 11061 1 19 . 1 1 82 82 GLN N N 82 121.304 121.304 119.620 1.684 17588 11062 1 19 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.683 -0.030 17588 11063 1 19 . 1 1 82 82 GLN C C 82 178.354 178.354 177.670 0.684 17588 11064 1 19 . 1 1 82 82 GLN CA C 82 58.640 58.640 57.425 1.216 17588 11065 1 19 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.151 0.763 17588 11066 1 19 . 1 1 82 82 GLN H H 82 7.641 7.641 7.770 -0.129 17588 11067 1 19 . 1 1 83 83 MET N N 83 117.464 117.464 120.173 -2.709 17588 11068 1 19 . 1 1 83 83 MET HA H 83 4.425 4.425 3.871 0.554 17588 11069 1 19 . 1 1 83 83 MET C C 83 177.906 177.906 178.124 -0.218 17588 11070 1 19 . 1 1 83 83 MET CA C 83 55.462 55.462 58.019 -2.557 17588 11071 1 19 . 1 1 83 83 MET CB C 83 29.014 29.014 32.064 -3.050 17588 11072 1 19 . 1 1 83 83 MET H H 83 8.665 8.665 8.459 0.206 17588 11073 1 19 . 1 1 84 84 SER N N 84 114.879 114.879 115.328 -0.449 17588 11074 1 19 . 1 1 84 84 SER HA H 84 3.689 3.689 3.692 -0.003 17588 11075 1 19 . 1 1 84 84 SER C C 84 176.666 176.666 176.249 0.417 17588 11076 1 19 . 1 1 84 84 SER CA C 84 61.347 61.347 61.516 -0.169 17588 11077 1 19 . 1 1 84 84 SER CB C 84 62.356 62.356 62.267 0.089 17588 11078 1 19 . 1 1 84 84 SER H H 84 8.607 8.607 8.021 0.586 17588 11079 1 19 . 1 1 85 85 ASN N N 85 117.904 117.904 118.933 -1.029 17588 11080 1 19 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.210 0.205 17588 11081 1 19 . 1 1 85 85 ASN C C 85 177.997 177.997 176.807 1.190 17588 11082 1 19 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.826 0.127 17588 11083 1 19 . 1 1 85 85 ASN CB C 85 38.260 38.260 38.166 0.094 17588 11084 1 19 . 1 1 85 85 ASN H H 85 7.204 7.204 7.561 -0.357 17588 11085 1 19 . 1 1 86 86 PHE N N 86 118.316 118.316 116.128 2.188 17588 11086 1 19 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.318 0.110 17588 11087 1 19 . 1 1 86 86 PHE C C 86 177.478 177.478 177.104 0.374 17588 11088 1 19 . 1 1 86 86 PHE CA C 86 58.394 58.394 59.005 -0.611 17588 11089 1 19 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.475 0.360 17588 11090 1 19 . 1 1 86 86 PHE H H 86 8.367 8.367 7.214 1.153 17588 11091 1 19 . 1 1 87 87 LEU N N 87 112.533 112.533 118.342 -5.809 17588 11092 1 19 . 1 1 87 87 LEU HA H 87 4.100 4.100 3.781 0.319 17588 11093 1 19 . 1 1 87 87 LEU C C 87 176.474 176.474 176.725 -0.251 17588 11094 1 19 . 1 1 87 87 LEU CA C 87 54.549 54.549 56.264 -1.715 17588 11095 1 19 . 1 1 87 87 LEU CB C 87 41.371 41.371 41.857 -0.486 17588 11096 1 19 . 1 1 87 87 LEU H H 87 7.778 7.778 7.805 -0.027 17588 11097 1 19 . 1 1 88 88 LYS N N 88 119.798 119.798 118.249 1.549 17588 11098 1 19 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.243 0.005 17588 11099 1 19 . 1 1 88 88 LYS C C 88 176.594 176.594 176.618 -0.024 17588 11100 1 19 . 1 1 88 88 LYS CA C 88 57.674 57.674 56.436 1.238 17588 11101 1 19 . 1 1 88 88 LYS CB C 88 32.671 32.671 31.761 0.911 17588 11102 1 19 . 1 1 88 88 LYS H H 88 7.328 7.328 8.117 -0.789 17588 11103 1 19 . 1 1 89 89 SER N N 89 117.937 117.937 122.767 -4.830 17588 11104 1 19 . 1 1 89 89 SER HA H 89 4.785 4.785 4.485 0.300 17588 11105 1 19 . 1 1 89 89 SER CA C 89 57.375 57.375 56.286 1.089 17588 11106 1 19 . 1 1 89 89 SER CB C 89 64.838 64.838 62.091 2.747 17588 11107 1 19 . 1 1 89 89 SER H H 89 8.197 8.197 8.676 -0.479 17588 11108 1 19 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.935 0.219 17588 11109 1 19 . 1 1 90 90 LYS C C 90 177.472 177.472 175.432 2.040 17588 11110 1 19 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.561 0.833 17588 11111 1 19 . 1 1 90 90 LYS CB C 90 31.767 31.767 30.118 1.649 17588 11112 1 19 . 1 1 90 90 LYS H H 90 7.981 7.981 7.663 0.318 17588 11113 1 19 . 1 1 91 91 THR N N 91 113.435 113.435 113.774 -0.339 17588 11114 1 19 . 1 1 91 91 THR HA H 91 4.342 4.342 4.436 -0.094 17588 11115 1 19 . 1 1 91 91 THR C C 91 174.236 174.236 174.394 -0.158 17588 11116 1 19 . 1 1 91 91 THR CA C 91 61.203 61.203 61.692 -0.489 17588 11117 1 19 . 1 1 91 91 THR CB C 91 69.254 69.254 70.753 -1.499 17588 11118 1 19 . 1 1 91 91 THR H H 91 7.942 7.942 7.698 0.244 17588 11119 1 19 . 1 1 92 92 ALA N N 92 129.685 129.685 125.869 3.816 17588 11120 1 19 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.243 -0.065 17588 11121 1 19 . 1 1 92 92 ALA C C 92 178.710 178.710 177.480 1.230 17588 11122 1 19 . 1 1 92 92 ALA CA C 92 53.583 53.583 52.384 1.199 17588 11123 1 19 . 1 1 92 92 ALA CB C 92 18.081 18.081 17.519 0.562 17588 11124 1 19 . 1 1 92 92 ALA H H 92 8.603 8.603 8.697 -0.094 17588 11125 1 19 . 1 1 93 93 GLY N N 93 109.919 109.919 111.304 -1.385 17588 11126 1 19 . 1 1 93 93 GLY C C 93 176.310 176.310 173.084 3.226 17588 11127 1 19 . 1 1 93 93 GLY CA C 93 45.505 45.505 44.952 0.553 17588 11128 1 19 . 1 1 93 93 GLY H H 93 8.823 8.823 8.141 0.682 17588 11129 1 19 . 1 1 94 94 LYS N N 94 120.949 120.949 123.250 -2.301 17588 11130 1 19 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.434 -0.642 17588 11131 1 19 . 1 1 94 94 LYS C C 94 177.630 177.630 176.176 1.454 17588 11132 1 19 . 1 1 94 94 LYS CA C 94 59.606 59.606 55.325 4.281 17588 11133 1 19 . 1 1 94 94 LYS CB C 94 33.246 33.246 34.560 -1.314 17588 11134 1 19 . 1 1 94 94 LYS H H 94 7.501 7.501 8.098 -0.597 17588 11135 1 19 . 1 1 95 95 TYR N N 95 113.034 113.034 119.897 -6.863 17588 11136 1 19 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.188 0.859 17588 11137 1 19 . 1 1 95 95 TYR C C 95 176.649 176.649 175.913 0.736 17588 11138 1 19 . 1 1 95 95 TYR CA C 95 56.936 56.936 58.569 -1.633 17588 11139 1 19 . 1 1 95 95 TYR CB C 95 39.000 39.000 36.148 2.852 17588 11140 1 19 . 1 1 95 95 TYR H H 95 8.670 8.670 8.892 -0.222 17588 11141 1 19 . 1 1 96 96 ASP N N 96 123.097 123.097 119.722 3.375 17588 11142 1 19 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.379 -0.050 17588 11143 1 19 . 1 1 96 96 ASP C C 96 178.087 178.087 178.132 -0.045 17588 11144 1 19 . 1 1 96 96 ASP CA C 96 58.619 58.619 57.022 1.597 17588 11145 1 19 . 1 1 96 96 ASP CB C 96 39.570 39.570 40.868 -1.298 17588 11146 1 19 . 1 1 96 96 ASP H H 96 7.756 7.756 8.603 -0.847 17588 11147 1 19 . 1 1 97 97 ARG N N 97 118.384 118.384 119.698 -1.314 17588 11148 1 19 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.237 0.025 17588 11149 1 19 . 1 1 97 97 ARG C C 97 179.927 179.927 178.254 1.673 17588 11150 1 19 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.340 0.406 17588 11151 1 19 . 1 1 97 97 ARG CB C 97 29.794 29.794 30.017 -0.223 17588 11152 1 19 . 1 1 97 97 ARG H H 97 8.897 8.897 8.442 0.455 17588 11153 1 19 . 1 1 98 98 VAL N N 98 119.642 119.642 119.139 0.503 17588 11154 1 19 . 1 1 98 98 VAL HA H 98 3.938 3.938 3.985 -0.047 17588 11155 1 19 . 1 1 98 98 VAL C C 98 179.630 179.630 178.535 1.095 17588 11156 1 19 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.697 0.107 17588 11157 1 19 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.345 0.709 17588 11158 1 19 . 1 1 98 98 VAL H H 98 7.578 7.578 8.178 -0.600 17588 11159 1 19 . 1 1 99 99 TYR N N 99 122.432 122.432 120.275 2.157 17588 11160 1 19 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.119 -0.185 17588 11161 1 19 . 1 1 99 99 TYR C C 99 176.400 176.400 177.366 -0.966 17588 11162 1 19 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.968 0.938 17588 11163 1 19 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.370 -0.048 17588 11164 1 19 . 1 1 99 99 TYR H H 99 8.635 8.635 8.199 0.436 17588 11165 1 19 . 1 1 100 100 ASN N N 100 117.211 117.211 117.587 -0.376 17588 11166 1 19 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.031 0.255 17588 11167 1 19 . 1 1 100 100 ASN C C 100 178.488 178.488 177.786 0.702 17588 11168 1 19 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.180 -0.324 17588 11169 1 19 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.679 0.170 17588 11170 1 19 . 1 1 100 100 ASN H H 100 9.024 9.024 7.928 1.096 17588 11171 1 19 . 1 1 101 101 GLY N N 101 105.413 105.413 108.676 -3.263 17588 11172 1 19 . 1 1 101 101 GLY C C 101 175.833 175.833 175.647 0.186 17588 11173 1 19 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.106 -0.074 17588 11174 1 19 . 1 1 101 101 GLY H H 101 7.908 7.908 7.994 -0.086 17588 11175 1 19 . 1 1 102 102 TYR N N 102 126.373 126.373 123.262 3.111 17588 11176 1 19 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.815 -0.348 17588 11177 1 19 . 1 1 102 102 TYR C C 102 176.016 176.016 177.909 -1.893 17588 11178 1 19 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.268 -0.715 17588 11179 1 19 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.523 -0.633 17588 11180 1 19 . 1 1 102 102 TYR H H 102 7.581 7.581 7.439 0.142 17588 11181 1 19 . 1 1 103 103 VAL N N 103 117.870 117.870 118.492 -0.622 17588 11182 1 19 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.330 -0.188 17588 11183 1 19 . 1 1 103 103 VAL C C 103 178.786 178.786 178.159 0.627 17588 11184 1 19 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.720 -0.143 17588 11185 1 19 . 1 1 103 103 VAL CB C 103 31.747 31.747 30.673 1.074 17588 11186 1 19 . 1 1 103 103 VAL H H 103 7.510 7.510 8.024 -0.514 17588 11187 1 19 . 1 1 104 104 ILE N N 104 116.770 116.770 118.619 -1.849 17588 11188 1 19 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.539 0.153 17588 11189 1 19 . 1 1 104 104 ILE C C 104 178.703 178.703 177.493 1.210 17588 11190 1 19 . 1 1 104 104 ILE CA C 104 63.837 63.837 65.229 -1.392 17588 11191 1 19 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.623 0.309 17588 11192 1 19 . 1 1 104 104 ILE H H 104 7.056 7.056 7.478 -0.422 17588 11193 1 19 . 1 1 105 105 HIS N N 105 121.324 121.324 119.091 2.233 17588 11194 1 19 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.200 -0.248 17588 11195 1 19 . 1 1 105 105 HIS C C 105 176.974 176.974 176.971 0.003 17588 11196 1 19 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.504 0.646 17588 11197 1 19 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.856 0.668 17588 11198 1 19 . 1 1 105 105 HIS H H 105 7.864 7.864 7.578 0.286 17588 11199 1 19 . 1 1 106 106 LEU N N 106 115.126 115.126 118.522 -3.396 17588 11200 1 19 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.473 -0.638 17588 11201 1 19 . 1 1 106 106 LEU C C 106 177.315 177.315 178.028 -0.713 17588 11202 1 19 . 1 1 106 106 LEU CA C 106 55.707 55.707 56.367 -0.660 17588 11203 1 19 . 1 1 106 106 LEU CB C 106 42.041 42.041 42.388 -0.347 17588 11204 1 19 . 1 1 106 106 LEU H H 106 7.517 7.517 7.885 -0.368 17588 11205 1 19 . 1 1 107 107 ASP N N 107 119.221 119.221 120.649 -1.428 17588 11206 1 19 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.298 0.203 17588 11207 1 19 . 1 1 107 107 ASP C C 107 175.224 175.224 177.013 -1.789 17588 11208 1 19 . 1 1 107 107 ASP CA C 107 54.618 54.618 56.086 -1.468 17588 11209 1 19 . 1 1 107 107 ASP CB C 107 40.765 40.765 41.203 -0.438 17588 11210 1 19 . 1 1 107 107 ASP H H 107 7.512 7.512 7.680 -0.168 17588 11211 1 20 . 1 1 6 6 SER HA H 6 4.480 4.480 5.091 -0.611 17588 11212 1 20 . 1 1 6 6 SER C C 6 174.995 174.995 173.181 1.814 17588 11213 1 20 . 1 1 6 6 SER CA C 6 58.675 58.675 58.228 0.447 17588 11214 1 20 . 1 1 6 6 SER CB C 6 63.822 63.822 64.991 -1.169 17588 11215 1 20 . 1 1 7 7 GLY N N 7 110.458 110.458 111.666 -1.208 17588 11216 1 20 . 1 1 7 7 GLY C C 7 173.853 173.853 172.622 1.231 17588 11217 1 20 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.502 -0.155 17588 11218 1 20 . 1 1 7 7 GLY H H 7 8.394 8.394 8.822 -0.428 17588 11219 1 20 . 1 1 8 8 ASN N N 8 119.020 119.020 117.016 2.004 17588 11220 1 20 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.753 0.004 17588 11221 1 20 . 1 1 8 8 ASN C C 8 175.389 175.389 173.655 1.734 17588 11222 1 20 . 1 1 8 8 ASN CA C 8 53.231 53.231 51.982 1.249 17588 11223 1 20 . 1 1 8 8 ASN CB C 8 38.959 38.959 39.472 -0.513 17588 11224 1 20 . 1 1 8 8 ASN H H 8 8.308 8.308 8.236 0.072 17588 11225 1 20 . 1 1 9 9 VAL N N 9 120.281 120.281 120.840 -0.559 17588 11226 1 20 . 1 1 9 9 VAL HA H 9 4.115 4.115 3.946 0.169 17588 11227 1 20 . 1 1 9 9 VAL C C 9 175.980 175.980 175.697 0.283 17588 11228 1 20 . 1 1 9 9 VAL CA C 9 62.468 62.468 63.569 -1.101 17588 11229 1 20 . 1 1 9 9 VAL CB C 9 32.712 32.712 31.362 1.350 17588 11230 1 20 . 1 1 9 9 VAL H H 9 8.173 8.173 8.420 -0.247 17588 11231 1 20 . 1 1 10 10 ASP N N 10 123.840 123.840 127.210 -3.370 17588 11232 1 20 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.554 0.070 17588 11233 1 20 . 1 1 10 10 ASP C C 10 176.599 176.599 176.485 0.114 17588 11234 1 20 . 1 1 10 10 ASP CA C 10 54.390 54.390 54.761 -0.371 17588 11235 1 20 . 1 1 10 10 ASP CB C 10 41.343 41.343 41.123 0.220 17588 11236 1 20 . 1 1 10 10 ASP H H 10 8.418 8.418 8.843 -0.425 17588 11237 1 20 . 1 1 11 11 SER N N 11 117.003 117.003 115.799 1.204 17588 11238 1 20 . 1 1 11 11 SER HA H 11 4.395 4.395 4.238 0.157 17588 11239 1 20 . 1 1 11 11 SER C C 11 174.834 174.834 174.087 0.747 17588 11240 1 20 . 1 1 11 11 SER CA C 11 58.886 58.886 58.868 0.018 17588 11241 1 20 . 1 1 11 11 SER CB C 11 63.740 63.740 63.705 0.035 17588 11242 1 20 . 1 1 11 11 SER H H 11 8.312 8.312 8.267 0.045 17588 11243 1 20 . 1 1 12 12 ASN N N 12 120.512 120.512 120.431 0.081 17588 11244 1 20 . 1 1 12 12 ASN HA H 12 4.685 4.685 5.005 -0.320 17588 11245 1 20 . 1 1 12 12 ASN C C 12 175.646 175.646 173.778 1.868 17588 11246 1 20 . 1 1 12 12 ASN CA C 12 53.793 53.793 51.896 1.897 17588 11247 1 20 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.579 -0.949 17588 11248 1 20 . 1 1 12 12 ASN H H 12 8.511 8.511 8.663 -0.152 17588 11249 1 20 . 1 1 13 13 GLN N N 13 120.057 120.057 119.195 0.862 17588 11250 1 20 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.293 -0.055 17588 11251 1 20 . 1 1 13 13 GLN C C 13 175.988 175.988 174.974 1.014 17588 11252 1 20 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.959 0.488 17588 11253 1 20 . 1 1 13 13 GLN CB C 13 29.137 29.137 29.718 -0.581 17588 11254 1 20 . 1 1 13 13 GLN H H 13 8.258 8.258 8.500 -0.242 17588 11255 1 20 . 1 1 14 14 ASN N N 14 119.323 119.323 119.098 0.225 17588 11256 1 20 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.757 -0.072 17588 11257 1 20 . 1 1 14 14 ASN C C 14 175.552 175.552 174.683 0.869 17588 11258 1 20 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.539 1.026 17588 11259 1 20 . 1 1 14 14 ASN CB C 14 38.763 38.763 39.479 -0.716 17588 11260 1 20 . 1 1 14 14 ASN H H 14 8.377 8.377 8.389 -0.012 17588 11261 1 20 . 1 1 15 15 LYS N N 15 121.938 121.938 119.557 2.381 17588 11262 1 20 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.547 -0.333 17588 11263 1 20 . 1 1 15 15 LYS C C 15 176.933 176.933 174.124 2.809 17588 11264 1 20 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.859 1.376 17588 11265 1 20 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.831 -1.078 17588 11266 1 20 . 1 1 15 15 LYS H H 15 8.224 8.224 8.545 -0.321 17588 11267 1 20 . 1 1 16 16 ALA N N 16 123.956 123.956 122.899 1.057 17588 11268 1 20 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.619 -0.345 17588 11269 1 20 . 1 1 16 16 ALA C C 16 178.593 178.593 177.747 0.846 17588 11270 1 20 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.542 1.900 17588 11271 1 20 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.222 -1.359 17588 11272 1 20 . 1 1 16 16 ALA H H 16 8.292 8.292 8.299 -0.007 17588 11273 1 20 . 1 1 17 17 SER N N 17 114.462 114.462 117.110 -2.648 17588 11274 1 20 . 1 1 17 17 SER HA H 17 4.365 4.365 4.569 -0.204 17588 11275 1 20 . 1 1 17 17 SER C C 17 175.370 175.370 174.601 0.769 17588 11276 1 20 . 1 1 17 17 SER CA C 17 59.077 59.077 57.475 1.602 17588 11277 1 20 . 1 1 17 17 SER CB C 17 63.383 63.383 63.183 0.200 17588 11278 1 20 . 1 1 17 17 SER H H 17 8.200 8.200 8.559 -0.359 17588 11279 1 20 . 1 1 18 18 MET N N 18 121.999 121.999 123.171 -1.172 17588 11280 1 20 . 1 1 18 18 MET HA H 18 4.429 4.429 4.369 0.060 17588 11281 1 20 . 1 1 18 18 MET C C 18 176.829 176.829 175.077 1.752 17588 11282 1 20 . 1 1 18 18 MET CA C 18 56.357 56.357 55.924 0.433 17588 11283 1 20 . 1 1 18 18 MET CB C 18 32.630 32.630 31.865 0.765 17588 11284 1 20 . 1 1 18 18 MET H H 18 8.214 8.214 7.657 0.557 17588 11285 1 20 . 1 1 19 19 LEU N N 19 122.083 122.083 125.190 -3.107 17588 11286 1 20 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.720 -0.464 17588 11287 1 20 . 1 1 19 19 LEU C C 19 177.774 177.774 174.828 2.946 17588 11288 1 20 . 1 1 19 19 LEU CA C 19 56.111 56.111 55.232 0.879 17588 11289 1 20 . 1 1 19 19 LEU CB C 19 42.041 42.041 45.427 -3.386 17588 11290 1 20 . 1 1 19 19 LEU H H 19 8.076 8.076 8.371 -0.295 17588 11291 1 20 . 1 1 20 20 GLN N N 20 120.123 120.123 122.909 -2.786 17588 11292 1 20 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.702 -0.495 17588 11293 1 20 . 1 1 20 20 GLN C C 20 176.166 176.166 173.995 2.171 17588 11294 1 20 . 1 1 20 20 GLN CA C 20 56.409 56.409 54.966 1.443 17588 11295 1 20 . 1 1 20 20 GLN CB C 20 29.196 29.196 32.265 -3.069 17588 11296 1 20 . 1 1 20 20 GLN H H 20 8.174 8.174 8.530 -0.356 17588 11297 1 20 . 1 1 21 21 ALA N N 21 124.216 124.216 125.218 -1.002 17588 11298 1 20 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.674 -0.420 17588 11299 1 20 . 1 1 21 21 ALA C C 21 178.034 178.034 177.474 0.560 17588 11300 1 20 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.595 1.531 17588 11301 1 20 . 1 1 21 21 ALA CB C 21 19.071 19.071 19.979 -0.908 17588 11302 1 20 . 1 1 21 21 ALA H H 21 8.151 8.151 8.516 -0.365 17588 11303 1 20 . 1 1 22 22 ARG N N 22 119.591 119.591 122.422 -2.831 17588 11304 1 20 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.244 0.064 17588 11305 1 20 . 1 1 22 22 ARG C C 22 176.750 176.750 176.288 0.462 17588 11306 1 20 . 1 1 22 22 ARG CA C 22 56.427 56.427 56.275 0.152 17588 11307 1 20 . 1 1 22 22 ARG CB C 22 30.616 30.616 30.794 -0.178 17588 11308 1 20 . 1 1 22 22 ARG H H 22 8.147 8.147 8.368 -0.221 17588 11309 1 20 . 1 1 23 23 LEU N N 23 122.553 122.553 122.246 0.307 17588 11310 1 20 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.453 -0.179 17588 11311 1 20 . 1 1 23 23 LEU C C 23 177.547 177.547 176.314 1.233 17588 11312 1 20 . 1 1 23 23 LEU CA C 23 55.690 55.690 53.791 1.899 17588 11313 1 20 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.312 -1.230 17588 11314 1 20 . 1 1 23 23 LEU H H 23 8.220 8.220 8.111 0.109 17588 11315 1 20 . 1 1 24 24 ASN N N 24 118.666 118.666 119.305 -0.639 17588 11316 1 20 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.540 0.133 17588 11317 1 20 . 1 1 24 24 ASN C C 24 175.246 175.246 174.406 0.840 17588 11318 1 20 . 1 1 24 24 ASN CA C 24 53.565 53.565 53.315 0.250 17588 11319 1 20 . 1 1 24 24 ASN CB C 24 38.836 38.836 38.789 0.047 17588 11320 1 20 . 1 1 24 24 ASN H H 24 8.351 8.351 8.265 0.086 17588 11321 1 20 . 1 1 25 25 ASP N N 25 120.897 120.897 123.242 -2.345 17588 11322 1 20 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.384 0.192 17588 11323 1 20 . 1 1 25 25 ASP C C 25 176.732 176.732 176.166 0.566 17588 11324 1 20 . 1 1 25 25 ASP CA C 25 54.706 54.706 54.769 -0.063 17588 11325 1 20 . 1 1 25 25 ASP CB C 25 41.219 41.219 41.336 -0.117 17588 11326 1 20 . 1 1 25 25 ASP H H 25 8.234 8.234 8.490 -0.256 17588 11327 1 20 . 1 1 26 26 GLU N N 26 121.168 121.168 122.673 -1.505 17588 11328 1 20 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.328 -0.114 17588 11329 1 20 . 1 1 26 26 GLU C C 26 176.857 176.857 175.890 0.967 17588 11330 1 20 . 1 1 26 26 GLU CA C 26 57.247 57.247 55.333 1.915 17588 11331 1 20 . 1 1 26 26 GLU CB C 26 29.959 29.959 29.458 0.501 17588 11332 1 20 . 1 1 26 26 GLU H H 26 8.368 8.368 8.561 -0.193 17588 11333 1 20 . 1 1 27 27 ALA N N 27 124.100 124.100 128.123 -4.023 17588 11334 1 20 . 1 1 27 27 ALA HA H 27 4.317 4.317 3.985 0.332 17588 11335 1 20 . 1 1 27 27 ALA C C 27 178.520 178.520 177.932 0.588 17588 11336 1 20 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.264 0.722 17588 11337 1 20 . 1 1 27 27 ALA CB C 27 18.945 18.945 18.031 0.914 17588 11338 1 20 . 1 1 27 27 ALA H H 27 8.289 8.289 8.689 -0.400 17588 11339 1 20 . 1 1 28 28 GLY N N 28 107.844 107.844 108.085 -0.241 17588 11340 1 20 . 1 1 28 28 GLY C C 28 175.019 175.019 174.693 0.326 17588 11341 1 20 . 1 1 28 28 GLY CA C 28 45.628 45.628 46.024 -0.396 17588 11342 1 20 . 1 1 28 28 GLY H H 28 8.315 8.315 8.463 -0.147 17588 11343 1 20 . 1 1 29 29 GLY N N 29 108.754 108.754 107.514 1.240 17588 11344 1 20 . 1 1 29 29 GLY C C 29 174.659 174.659 173.307 1.352 17588 11345 1 20 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.287 0.200 17588 11346 1 20 . 1 1 29 29 GLY H H 29 8.266 8.266 8.175 0.091 17588 11347 1 20 . 1 1 30 30 THR N N 30 114.068 114.068 112.471 1.597 17588 11348 1 20 . 1 1 30 30 THR HA H 30 4.301 4.301 3.994 0.307 17588 11349 1 20 . 1 1 30 30 THR C C 30 174.789 174.789 173.535 1.254 17588 11350 1 20 . 1 1 30 30 THR CA C 30 62.327 62.327 62.946 -0.619 17588 11351 1 20 . 1 1 30 30 THR CB C 30 69.553 69.553 67.569 1.984 17588 11352 1 20 . 1 1 30 30 THR H H 30 8.111 8.111 8.181 -0.070 17588 11353 1 20 . 1 1 31 31 ARG N N 31 123.536 123.536 120.048 3.488 17588 11354 1 20 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.530 -0.231 17588 11355 1 20 . 1 1 31 31 ARG C C 31 176.125 176.125 175.966 0.159 17588 11356 1 20 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.263 1.199 17588 11357 1 20 . 1 1 31 31 ARG CB C 31 30.657 30.657 32.742 -2.085 17588 11358 1 20 . 1 1 31 31 ARG H H 31 8.343 8.343 7.977 0.366 17588 11359 1 20 . 1 1 32 32 LEU N N 32 122.865 122.865 127.200 -4.335 17588 11360 1 20 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.376 -0.057 17588 11361 1 20 . 1 1 32 32 LEU C C 32 177.036 177.036 176.131 0.905 17588 11362 1 20 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.461 0.772 17588 11363 1 20 . 1 1 32 32 LEU CB C 32 42.264 42.264 40.709 1.555 17588 11364 1 20 . 1 1 32 32 LEU H H 32 8.203 8.203 8.641 -0.438 17588 11365 1 20 . 1 1 33 33 LEU N N 33 123.054 123.054 120.840 2.214 17588 11366 1 20 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.613 -0.277 17588 11367 1 20 . 1 1 33 33 LEU C C 33 177.022 177.022 176.960 0.062 17588 11368 1 20 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.164 0.904 17588 11369 1 20 . 1 1 33 33 LEU CB C 33 42.288 42.288 44.310 -2.022 17588 11370 1 20 . 1 1 33 33 LEU H H 33 8.150 8.150 7.570 0.580 17588 11371 1 20 . 1 1 34 34 ARG N N 34 122.226 122.226 123.413 -1.187 17588 11372 1 20 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.254 0.083 17588 11373 1 20 . 1 1 34 34 ARG C C 34 175.950 175.950 175.385 0.565 17588 11374 1 20 . 1 1 34 34 ARG CA C 34 55.918 55.918 56.867 -0.949 17588 11375 1 20 . 1 1 34 34 ARG CB C 34 30.781 30.781 30.315 0.466 17588 11376 1 20 . 1 1 34 34 ARG H H 34 8.248 8.248 8.483 -0.235 17588 11377 1 20 . 1 1 35 35 VAL N N 35 121.294 121.294 121.128 0.166 17588 11378 1 20 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.132 -0.091 17588 11379 1 20 . 1 1 35 35 VAL C C 35 175.709 175.709 175.980 -0.271 17588 11380 1 20 . 1 1 35 35 VAL CA C 35 62.240 62.240 63.820 -1.580 17588 11381 1 20 . 1 1 35 35 VAL CB C 35 32.753 32.753 31.959 0.794 17588 11382 1 20 . 1 1 35 35 VAL H H 35 8.107 8.107 8.751 -0.644 17588 11383 1 20 . 1 1 36 36 HIS N N 36 123.522 123.522 119.364 4.158 17588 11384 1 20 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.348 0.250 17588 11385 1 20 . 1 1 36 36 HIS C C 36 174.825 174.825 173.745 1.080 17588 11386 1 20 . 1 1 36 36 HIS CA C 36 56.111 56.111 57.389 -1.278 17588 11387 1 20 . 1 1 36 36 HIS CB C 36 30.944 30.944 28.366 2.578 17588 11388 1 20 . 1 1 36 36 HIS H H 36 8.410 8.410 8.588 -0.178 17588 11389 1 20 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.566 0.034 17588 11390 1 20 . 1 1 37 37 HIS C C 37 175.173 175.173 174.180 0.993 17588 11391 1 20 . 1 1 37 37 HIS CA C 37 56.217 56.217 55.321 0.896 17588 11392 1 20 . 1 1 37 37 HIS CB C 37 31.027 31.027 31.576 -0.549 17588 11393 1 20 . 1 1 38 38 GLU N N 38 122.826 122.826 125.301 -2.475 17588 11394 1 20 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.163 0.092 17588 11395 1 20 . 1 1 38 38 GLU C C 38 176.483 176.483 174.836 1.647 17588 11396 1 20 . 1 1 38 38 GLU CA C 38 56.919 56.919 55.847 1.072 17588 11397 1 20 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.266 0.062 17588 11398 1 20 . 1 1 38 38 GLU H H 38 8.569 8.569 8.253 0.316 17588 11399 1 20 . 1 1 39 39 SER N N 39 116.398 116.398 118.747 -2.349 17588 11400 1 20 . 1 1 39 39 SER HA H 39 4.454 4.454 4.588 -0.134 17588 11401 1 20 . 1 1 39 39 SER C C 39 174.497 174.497 174.277 0.220 17588 11402 1 20 . 1 1 39 39 SER CA C 39 58.552 58.552 57.671 0.881 17588 11403 1 20 . 1 1 39 39 SER CB C 39 64.028 64.028 64.258 -0.230 17588 11404 1 20 . 1 1 39 39 SER H H 39 8.444 8.444 8.254 0.190 17588 11405 1 20 . 1 1 40 40 ASP N N 40 122.831 122.831 121.836 0.995 17588 11406 1 20 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.815 -0.143 17588 11407 1 20 . 1 1 40 40 ASP C C 40 176.783 176.783 175.410 1.373 17588 11408 1 20 . 1 1 40 40 ASP CA C 40 54.759 54.759 53.796 0.963 17588 11409 1 20 . 1 1 40 40 ASP CB C 40 41.014 41.014 43.307 -2.293 17588 11410 1 20 . 1 1 40 40 ASP H H 40 8.469 8.469 8.514 -0.045 17588 11411 1 20 . 1 1 41 41 THR N N 41 113.679 113.679 116.904 -3.225 17588 11412 1 20 . 1 1 41 41 THR HA H 41 4.181 4.181 4.441 -0.260 17588 11413 1 20 . 1 1 41 41 THR C C 41 175.314 175.314 173.924 1.390 17588 11414 1 20 . 1 1 41 41 THR CA C 41 62.819 62.819 62.007 0.812 17588 11415 1 20 . 1 1 41 41 THR CB C 41 69.576 69.576 70.615 -1.039 17588 11416 1 20 . 1 1 41 41 THR H H 41 8.066 8.066 8.343 -0.277 17588 11417 1 20 . 1 1 42 42 GLU N N 42 122.776 122.776 128.023 -5.247 17588 11418 1 20 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.206 0.002 17588 11419 1 20 . 1 1 42 42 GLU C C 42 177.129 177.129 176.812 0.317 17588 11420 1 20 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.751 0.571 17588 11421 1 20 . 1 1 42 42 GLU CB C 42 30.000 30.000 28.326 1.675 17588 11422 1 20 . 1 1 42 42 GLU H H 42 8.343 8.343 8.988 -0.645 17588 11423 1 20 . 1 1 43 43 GLU N N 43 121.898 121.898 123.732 -1.834 17588 11424 1 20 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.175 0.036 17588 11425 1 20 . 1 1 43 43 GLU C C 43 177.313 177.313 177.462 -0.149 17588 11426 1 20 . 1 1 43 43 GLU CA C 43 57.453 57.453 58.559 -1.106 17588 11427 1 20 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.516 0.443 17588 11428 1 20 . 1 1 43 43 GLU H H 43 8.397 8.397 8.372 0.025 17588 11429 1 20 . 1 1 44 44 ARG N N 44 121.336 121.336 119.274 2.062 17588 11430 1 20 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.196 0.030 17588 11431 1 20 . 1 1 44 44 ARG C C 44 178.048 178.048 177.976 0.072 17588 11432 1 20 . 1 1 44 44 ARG CA C 44 57.779 57.779 58.458 -0.679 17588 11433 1 20 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.506 0.860 17588 11434 1 20 . 1 1 44 44 ARG H H 44 8.401 8.401 8.301 0.100 17588 11435 1 20 . 1 1 45 45 GLY N N 45 109.098 109.098 105.493 3.605 17588 11436 1 20 . 1 1 45 45 GLY C C 45 175.522 175.522 175.017 0.505 17588 11437 1 20 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.149 1.251 17588 11438 1 20 . 1 1 45 45 GLY H H 45 8.536 8.536 7.742 0.794 17588 11439 1 20 . 1 1 46 46 PHE N N 46 121.592 121.592 123.287 -1.695 17588 11440 1 20 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.360 0.057 17588 11441 1 20 . 1 1 46 46 PHE C C 46 177.561 177.561 176.145 1.416 17588 11442 1 20 . 1 1 46 46 PHE CA C 46 60.080 60.080 60.614 -0.534 17588 11443 1 20 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.614 -0.703 17588 11444 1 20 . 1 1 46 46 PHE H H 46 8.071 8.071 7.486 0.585 17588 11445 1 20 . 1 1 47 47 LEU N N 47 121.344 121.344 119.591 1.753 17588 11446 1 20 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.537 0.505 17588 11447 1 20 . 1 1 47 47 LEU C C 47 179.621 179.621 178.453 1.168 17588 11448 1 20 . 1 1 47 47 LEU CA C 47 57.460 57.460 58.538 -1.078 17588 11449 1 20 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.444 0.193 17588 11450 1 20 . 1 1 47 47 LEU H H 47 8.215 8.215 8.206 0.009 17588 11451 1 20 . 1 1 48 48 GLU N N 48 121.986 121.986 118.106 3.880 17588 11452 1 20 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.672 0.316 17588 11453 1 20 . 1 1 48 48 GLU C C 48 177.573 177.573 178.162 -0.589 17588 11454 1 20 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.404 -0.097 17588 11455 1 20 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.072 0.576 17588 11456 1 20 . 1 1 48 48 GLU H H 48 8.225 8.225 8.296 -0.071 17588 11457 1 20 . 1 1 49 49 LYS N N 49 118.759 118.759 118.554 0.205 17588 11458 1 20 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.165 0.078 17588 11459 1 20 . 1 1 49 49 LYS C C 49 177.659 177.659 178.414 -0.755 17588 11460 1 20 . 1 1 49 49 LYS CA C 49 59.886 59.886 58.909 0.977 17588 11461 1 20 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.020 0.282 17588 11462 1 20 . 1 1 49 49 LYS H H 49 7.790 7.790 6.961 0.829 17588 11463 1 20 . 1 1 50 50 ALA N N 50 120.023 120.023 121.163 -1.140 17588 11464 1 20 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.732 0.227 17588 11465 1 20 . 1 1 50 50 ALA C C 50 180.486 180.486 179.207 1.279 17588 11466 1 20 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.881 0.001 17588 11467 1 20 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.588 0.289 17588 11468 1 20 . 1 1 50 50 ALA H H 50 7.798 7.798 7.859 -0.061 17588 11469 1 20 . 1 1 51 51 ALA N N 51 121.955 121.955 121.005 0.950 17588 11470 1 20 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.881 0.232 17588 11471 1 20 . 1 1 51 51 ALA C C 51 180.762 180.762 179.533 1.229 17588 11472 1 20 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.070 0.041 17588 11473 1 20 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.118 -0.077 17588 11474 1 20 . 1 1 51 51 ALA H H 51 7.809 7.809 8.048 -0.239 17588 11475 1 20 . 1 1 52 52 VAL N N 52 120.415 120.415 118.882 1.533 17588 11476 1 20 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.392 0.258 17588 11477 1 20 . 1 1 52 52 VAL C C 52 178.567 178.567 178.106 0.461 17588 11478 1 20 . 1 1 52 52 VAL CA C 52 67.227 67.227 67.512 -0.285 17588 11479 1 20 . 1 1 52 52 VAL CB C 52 31.110 31.110 31.120 -0.010 17588 11480 1 20 . 1 1 52 52 VAL H H 52 7.944 7.944 7.854 0.090 17588 11481 1 20 . 1 1 53 53 LYS N N 53 119.231 119.231 118.709 0.522 17588 11482 1 20 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.721 -0.157 17588 11483 1 20 . 1 1 53 53 LYS C C 53 178.546 178.546 178.922 -0.376 17588 11484 1 20 . 1 1 53 53 LYS CA C 53 60.720 60.720 58.838 1.882 17588 11485 1 20 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.754 0.497 17588 11486 1 20 . 1 1 53 53 LYS H H 53 8.132 8.132 7.833 0.299 17588 11487 1 20 . 1 1 54 54 LYS N N 54 119.514 119.514 119.573 -0.059 17588 11488 1 20 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.832 0.161 17588 11489 1 20 . 1 1 54 54 LYS C C 54 179.987 179.987 179.179 0.808 17588 11490 1 20 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.846 0.391 17588 11491 1 20 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.268 0.215 17588 11492 1 20 . 1 1 54 54 LYS H H 54 7.956 7.956 8.369 -0.413 17588 11493 1 20 . 1 1 55 55 MET N N 55 119.732 119.732 116.994 2.738 17588 11494 1 20 . 1 1 55 55 MET HA H 55 4.251 4.251 4.074 0.177 17588 11495 1 20 . 1 1 55 55 MET C C 55 177.536 177.536 178.333 -0.797 17588 11496 1 20 . 1 1 55 55 MET CA C 55 58.396 58.396 58.451 -0.055 17588 11497 1 20 . 1 1 55 55 MET CB C 55 34.228 34.228 31.600 2.628 17588 11498 1 20 . 1 1 55 55 MET H H 55 7.816 7.816 8.360 -0.544 17588 11499 1 20 . 1 1 56 56 ALA N N 56 122.295 122.295 122.492 -0.197 17588 11500 1 20 . 1 1 56 56 ALA HA H 56 4.152 4.152 3.960 0.192 17588 11501 1 20 . 1 1 56 56 ALA C C 56 179.615 179.615 179.461 0.154 17588 11502 1 20 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.497 -0.159 17588 11503 1 20 . 1 1 56 56 ALA CB C 56 19.106 19.106 17.840 1.266 17588 11504 1 20 . 1 1 56 56 ALA H H 56 8.724 8.724 7.648 1.076 17588 11505 1 20 . 1 1 57 57 LYS N N 57 117.704 117.704 118.463 -0.759 17588 11506 1 20 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.040 0.044 17588 11507 1 20 . 1 1 57 57 LYS C C 57 179.358 179.358 178.687 0.671 17588 11508 1 20 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.864 0.110 17588 11509 1 20 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.257 0.244 17588 11510 1 20 . 1 1 57 57 LYS H H 57 8.444 8.444 7.988 0.456 17588 11511 1 20 . 1 1 58 58 ALA N N 58 122.736 122.736 120.513 2.223 17588 11512 1 20 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.030 0.141 17588 11513 1 20 . 1 1 58 58 ALA C C 58 180.708 180.708 179.665 1.043 17588 11514 1 20 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.014 0.097 17588 11515 1 20 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.049 -0.501 17588 11516 1 20 . 1 1 58 58 ALA H H 58 7.701 7.701 7.618 0.083 17588 11517 1 20 . 1 1 59 59 ILE N N 59 117.672 117.672 118.979 -1.307 17588 11518 1 20 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.912 -0.239 17588 11519 1 20 . 1 1 59 59 ILE C C 59 177.728 177.728 178.224 -0.496 17588 11520 1 20 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.611 -0.632 17588 11521 1 20 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.991 -0.178 17588 11522 1 20 . 1 1 59 59 ILE H H 59 7.547 7.547 7.278 0.269 17588 11523 1 20 . 1 1 60 60 MET N N 60 117.653 117.653 116.820 0.833 17588 11524 1 20 . 1 1 60 60 MET HA H 60 4.098 4.098 4.064 0.034 17588 11525 1 20 . 1 1 60 60 MET C C 60 178.085 178.085 178.237 -0.152 17588 11526 1 20 . 1 1 60 60 MET CA C 60 58.060 58.060 58.050 0.010 17588 11527 1 20 . 1 1 60 60 MET CB C 60 32.178 32.178 31.947 0.231 17588 11528 1 20 . 1 1 60 60 MET H H 60 7.718 7.718 8.124 -0.406 17588 11529 1 20 . 1 1 61 61 ALA N N 61 118.874 118.874 121.109 -2.235 17588 11530 1 20 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.192 0.082 17588 11531 1 20 . 1 1 61 61 ALA C C 61 177.758 177.758 178.101 -0.343 17588 11532 1 20 . 1 1 61 61 ALA CA C 61 53.442 53.442 53.438 0.004 17588 11533 1 20 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.557 -0.489 17588 11534 1 20 . 1 1 61 61 ALA H H 61 7.513 7.513 7.644 -0.131 17588 11535 1 20 . 1 1 62 62 ASP N N 62 115.735 115.735 116.931 -1.196 17588 11536 1 20 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.156 -0.223 17588 11537 1 20 . 1 1 62 62 ASP C C 62 172.960 172.960 174.809 -1.849 17588 11538 1 20 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.275 -0.151 17588 11539 1 20 . 1 1 62 62 ASP CB C 62 41.384 41.384 42.904 -1.520 17588 11540 1 20 . 1 1 62 62 ASP H H 62 7.615 7.615 7.842 -0.227 17588 11541 1 20 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.388 0.058 17588 11542 1 20 . 1 1 63 63 PRO C C 63 179.157 179.157 178.357 0.800 17588 11543 1 20 . 1 1 63 63 PRO CA C 63 64.399 64.399 65.437 -1.038 17588 11544 1 20 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.355 -0.095 17588 11545 1 20 . 1 1 64 64 ASN N N 64 115.566 115.566 116.817 -1.251 17588 11546 1 20 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.392 0.160 17588 11547 1 20 . 1 1 64 64 ASN C C 64 176.867 176.867 177.267 -0.400 17588 11548 1 20 . 1 1 64 64 ASN CA C 64 55.321 55.321 56.401 -1.080 17588 11549 1 20 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.279 0.622 17588 11550 1 20 . 1 1 64 64 ASN H H 64 8.094 8.094 8.711 -0.617 17588 11551 1 20 . 1 1 65 65 LYS N N 65 118.691 118.691 119.405 -0.714 17588 11552 1 20 . 1 1 65 65 LYS HA H 65 4.178 4.178 3.956 0.222 17588 11553 1 20 . 1 1 65 65 LYS C C 65 175.844 175.844 178.023 -2.179 17588 11554 1 20 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.392 -2.158 17588 11555 1 20 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.824 1.053 17588 11556 1 20 . 1 1 65 65 LYS H H 65 8.185 8.185 7.524 0.661 17588 11557 1 20 . 1 1 66 66 ALA N N 66 120.147 120.147 122.728 -2.581 17588 11558 1 20 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.343 -0.301 17588 11559 1 20 . 1 1 66 66 ALA C C 66 176.697 176.697 179.182 -2.485 17588 11560 1 20 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.125 0.687 17588 11561 1 20 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.792 0.442 17588 11562 1 20 . 1 1 66 66 ALA H H 66 7.233 7.233 8.256 -1.023 17588 11563 1 20 . 1 1 67 67 ASP N N 67 114.524 114.524 118.546 -4.022 17588 11564 1 20 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.465 -0.292 17588 11565 1 20 . 1 1 67 67 ASP C C 67 178.071 178.071 178.751 -0.680 17588 11566 1 20 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.750 0.618 17588 11567 1 20 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.395 0.249 17588 11568 1 20 . 1 1 67 67 ASP H H 67 8.114 8.114 7.881 0.233 17588 11569 1 20 . 1 1 68 68 GLU N N 68 117.486 117.486 119.465 -1.979 17588 11570 1 20 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.974 -0.081 17588 11571 1 20 . 1 1 68 68 GLU C C 68 178.885 178.885 179.069 -0.184 17588 11572 1 20 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.869 -0.124 17588 11573 1 20 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.302 0.359 17588 11574 1 20 . 1 1 68 68 GLU H H 68 7.846 7.846 7.390 0.456 17588 11575 1 20 . 1 1 69 69 VAL N N 69 120.957 120.957 120.712 0.245 17588 11576 1 20 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.050 -0.004 17588 11577 1 20 . 1 1 69 69 VAL C C 69 176.618 176.618 177.869 -1.251 17588 11578 1 20 . 1 1 69 69 VAL CA C 69 66.453 66.453 66.721 -0.268 17588 11579 1 20 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.933 0.106 17588 11580 1 20 . 1 1 69 69 VAL H H 69 7.325 7.325 8.294 -0.969 17588 11581 1 20 . 1 1 70 70 TYR N N 70 117.638 117.638 116.044 1.594 17588 11582 1 20 . 1 1 70 70 TYR HA H 70 4.175 4.175 3.955 0.220 17588 11583 1 20 . 1 1 70 70 TYR C C 70 178.493 178.493 177.946 0.547 17588 11584 1 20 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.638 -3.157 17588 11585 1 20 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.646 -2.783 17588 11586 1 20 . 1 1 70 70 TYR H H 70 8.483 8.483 8.115 0.368 17588 11587 1 20 . 1 1 71 71 LYS N N 71 117.283 117.283 117.828 -0.545 17588 11588 1 20 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.184 0.030 17588 11589 1 20 . 1 1 71 71 LYS C C 71 178.790 178.790 179.067 -0.277 17588 11590 1 20 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.065 0.728 17588 11591 1 20 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.173 0.334 17588 11592 1 20 . 1 1 71 71 LYS H H 71 7.754 7.754 7.549 0.205 17588 11593 1 20 . 1 1 72 72 LYS N N 72 120.053 120.053 121.038 -0.985 17588 11594 1 20 . 1 1 72 72 LYS HA H 72 4.141 4.141 4.009 0.132 17588 11595 1 20 . 1 1 72 72 LYS C C 72 180.399 180.399 178.925 1.474 17588 11596 1 20 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.484 0.244 17588 11597 1 20 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.137 -0.123 17588 11598 1 20 . 1 1 72 72 LYS H H 72 7.386 7.386 7.609 -0.223 17588 11599 1 20 . 1 1 73 73 TRP N N 73 121.910 121.910 119.832 2.078 17588 11600 1 20 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.466 0.047 17588 11601 1 20 . 1 1 73 73 TRP C C 73 177.981 177.981 178.713 -0.732 17588 11602 1 20 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.644 -1.728 17588 11603 1 20 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.417 1.145 17588 11604 1 20 . 1 1 73 73 TRP H H 73 8.659 8.659 8.327 0.332 17588 11605 1 20 . 1 1 74 74 ALA N N 74 123.471 123.471 120.826 2.645 17588 11606 1 20 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.269 0.223 17588 11607 1 20 . 1 1 74 74 ALA C C 74 182.881 182.881 179.903 2.978 17588 11608 1 20 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.100 0.249 17588 11609 1 20 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.538 -0.146 17588 11610 1 20 . 1 1 74 74 ALA H H 74 9.137 9.137 7.839 1.298 17588 11611 1 20 . 1 1 75 75 ASP N N 75 121.896 121.896 117.732 4.164 17588 11612 1 20 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.441 0.023 17588 11613 1 20 . 1 1 75 75 ASP C C 75 178.714 178.714 178.711 0.003 17588 11614 1 20 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.404 0.690 17588 11615 1 20 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.638 -0.053 17588 11616 1 20 . 1 1 75 75 ASP H H 75 8.804 8.804 7.840 0.964 17588 11617 1 20 . 1 1 76 76 LYS N N 76 118.966 118.966 117.752 1.214 17588 11618 1 20 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.128 -0.099 17588 11619 1 20 . 1 1 76 76 LYS C C 76 176.868 176.868 177.670 -0.802 17588 11620 1 20 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.960 -0.463 17588 11621 1 20 . 1 1 76 76 LYS CB C 76 31.685 31.685 33.134 -1.449 17588 11622 1 20 . 1 1 76 76 LYS H H 76 7.630 7.630 7.918 -0.288 17588 11623 1 20 . 1 1 77 77 GLY N N 77 107.310 107.310 106.971 0.339 17588 11624 1 20 . 1 1 77 77 GLY C C 77 175.407 175.407 173.602 1.805 17588 11625 1 20 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.605 0.584 17588 11626 1 20 . 1 1 77 77 GLY H H 77 7.901 7.901 7.776 0.125 17588 11627 1 20 . 1 1 78 78 TYR N N 78 117.917 117.917 119.218 -1.301 17588 11628 1 20 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.988 0.304 17588 11629 1 20 . 1 1 78 78 TYR C C 78 178.422 178.422 174.723 3.699 17588 11630 1 20 . 1 1 78 78 TYR CA C 78 55.545 55.545 56.416 -0.871 17588 11631 1 20 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.521 -3.740 17588 11632 1 20 . 1 1 78 78 TYR H H 78 7.506 7.506 7.551 -0.045 17588 11633 1 20 . 1 1 79 79 THR N N 79 119.420 119.420 110.888 8.532 17588 11634 1 20 . 1 1 79 79 THR HA H 79 4.518 4.518 4.736 -0.218 17588 11635 1 20 . 1 1 79 79 THR C C 79 175.648 175.648 175.289 0.359 17588 11636 1 20 . 1 1 79 79 THR CA C 79 60.027 60.027 60.643 -0.616 17588 11637 1 20 . 1 1 79 79 THR CB C 79 71.622 71.622 71.626 -0.004 17588 11638 1 20 . 1 1 79 79 THR H H 79 8.957 8.957 8.259 0.698 17588 11639 1 20 . 1 1 80 80 LEU N N 80 119.655 119.655 122.654 -2.999 17588 11640 1 20 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.007 0.173 17588 11641 1 20 . 1 1 80 80 LEU C C 80 180.085 180.085 178.320 1.765 17588 11642 1 20 . 1 1 80 80 LEU CA C 80 58.913 58.913 59.103 -0.190 17588 11643 1 20 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.235 -1.582 17588 11644 1 20 . 1 1 80 80 LEU H H 80 9.005 9.005 8.849 0.156 17588 11645 1 20 . 1 1 81 81 THR N N 81 115.259 115.259 112.747 2.512 17588 11646 1 20 . 1 1 81 81 THR HA H 81 3.939 3.939 3.958 -0.019 17588 11647 1 20 . 1 1 81 81 THR C C 81 177.000 177.000 177.178 -0.178 17588 11648 1 20 . 1 1 81 81 THR CA C 81 66.349 66.349 65.936 0.413 17588 11649 1 20 . 1 1 81 81 THR CB C 81 68.591 68.591 67.911 0.680 17588 11650 1 20 . 1 1 81 81 THR H H 81 8.135 8.135 8.288 -0.153 17588 11651 1 20 . 1 1 82 82 GLN N N 82 121.304 121.304 120.283 1.021 17588 11652 1 20 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.851 -0.198 17588 11653 1 20 . 1 1 82 82 GLN C C 82 178.354 178.354 177.747 0.607 17588 11654 1 20 . 1 1 82 82 GLN CA C 82 58.640 58.640 57.703 0.937 17588 11655 1 20 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.026 0.887 17588 11656 1 20 . 1 1 82 82 GLN H H 82 7.641 7.641 8.153 -0.512 17588 11657 1 20 . 1 1 83 83 MET N N 83 117.464 117.464 119.798 -2.334 17588 11658 1 20 . 1 1 83 83 MET HA H 83 4.425 4.425 3.886 0.539 17588 11659 1 20 . 1 1 83 83 MET C C 83 177.906 177.906 177.983 -0.077 17588 11660 1 20 . 1 1 83 83 MET CA C 83 55.462 55.462 59.066 -3.604 17588 11661 1 20 . 1 1 83 83 MET CB C 83 29.014 29.014 32.659 -3.645 17588 11662 1 20 . 1 1 83 83 MET H H 83 8.665 8.665 8.266 0.399 17588 11663 1 20 . 1 1 84 84 SER N N 84 114.879 114.879 115.783 -0.904 17588 11664 1 20 . 1 1 84 84 SER HA H 84 3.689 3.689 3.847 -0.158 17588 11665 1 20 . 1 1 84 84 SER C C 84 176.666 176.666 175.979 0.687 17588 11666 1 20 . 1 1 84 84 SER CA C 84 61.347 61.347 61.451 -0.104 17588 11667 1 20 . 1 1 84 84 SER CB C 84 62.356 62.356 62.475 -0.119 17588 11668 1 20 . 1 1 84 84 SER H H 84 8.607 8.607 8.644 -0.037 17588 11669 1 20 . 1 1 85 85 ASN N N 85 117.904 117.904 118.251 -0.347 17588 11670 1 20 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.414 0.001 17588 11671 1 20 . 1 1 85 85 ASN C C 85 177.997 177.997 176.241 1.756 17588 11672 1 20 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.144 0.809 17588 11673 1 20 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.877 0.383 17588 11674 1 20 . 1 1 85 85 ASN H H 85 7.204 7.204 7.584 -0.380 17588 11675 1 20 . 1 1 86 86 PHE N N 86 118.316 118.316 117.985 0.331 17588 11676 1 20 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.352 0.076 17588 11677 1 20 . 1 1 86 86 PHE C C 86 177.478 177.478 176.383 1.095 17588 11678 1 20 . 1 1 86 86 PHE CA C 86 58.394 58.394 58.692 -0.298 17588 11679 1 20 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.933 -0.098 17588 11680 1 20 . 1 1 86 86 PHE H H 86 8.367 8.367 7.572 0.795 17588 11681 1 20 . 1 1 87 87 LEU N N 87 112.533 112.533 115.560 -3.027 17588 11682 1 20 . 1 1 87 87 LEU HA H 87 4.100 4.100 4.191 -0.091 17588 11683 1 20 . 1 1 87 87 LEU C C 87 176.474 176.474 176.234 0.240 17588 11684 1 20 . 1 1 87 87 LEU CA C 87 54.549 54.549 53.968 0.581 17588 11685 1 20 . 1 1 87 87 LEU CB C 87 41.371 41.371 40.385 0.986 17588 11686 1 20 . 1 1 87 87 LEU H H 87 7.778 7.778 8.142 -0.364 17588 11687 1 20 . 1 1 88 88 LYS N N 88 119.798 119.798 120.053 -0.255 17588 11688 1 20 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.148 0.100 17588 11689 1 20 . 1 1 88 88 LYS C C 88 176.594 176.594 176.019 0.575 17588 11690 1 20 . 1 1 88 88 LYS CA C 88 57.674 57.674 55.327 2.347 17588 11691 1 20 . 1 1 88 88 LYS CB C 88 32.671 32.671 31.534 1.137 17588 11692 1 20 . 1 1 88 88 LYS H H 88 7.328 7.328 7.768 -0.440 17588 11693 1 20 . 1 1 89 89 SER N N 89 117.937 117.937 116.586 1.351 17588 11694 1 20 . 1 1 89 89 SER HA H 89 4.785 4.785 4.231 0.554 17588 11695 1 20 . 1 1 89 89 SER CA C 89 57.375 57.375 59.269 -1.894 17588 11696 1 20 . 1 1 89 89 SER CB C 89 64.838 64.838 63.231 1.607 17588 11697 1 20 . 1 1 89 89 SER H H 89 8.197 8.197 7.343 0.854 17588 11698 1 20 . 1 1 90 90 LYS HA H 90 4.154 4.154 4.027 0.127 17588 11699 1 20 . 1 1 90 90 LYS C C 90 177.472 177.472 177.186 0.286 17588 11700 1 20 . 1 1 90 90 LYS CA C 90 58.394 58.394 58.323 0.071 17588 11701 1 20 . 1 1 90 90 LYS CB C 90 31.767 31.767 32.196 -0.429 17588 11702 1 20 . 1 1 90 90 LYS H H 90 7.981 7.981 8.577 -0.596 17588 11703 1 20 . 1 1 91 91 THR N N 91 113.435 113.435 115.224 -1.789 17588 11704 1 20 . 1 1 91 91 THR HA H 91 4.342 4.342 4.153 0.189 17588 11705 1 20 . 1 1 91 91 THR C C 91 174.236 174.236 174.007 0.229 17588 11706 1 20 . 1 1 91 91 THR CA C 91 61.203 61.203 63.499 -2.296 17588 11707 1 20 . 1 1 91 91 THR CB C 91 69.254 69.254 69.508 -0.254 17588 11708 1 20 . 1 1 91 91 THR H H 91 7.942 7.942 7.756 0.186 17588 11709 1 20 . 1 1 92 92 ALA N N 92 129.685 129.685 126.338 3.347 17588 11710 1 20 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.013 0.165 17588 11711 1 20 . 1 1 92 92 ALA C C 92 178.710 178.710 178.038 0.672 17588 11712 1 20 . 1 1 92 92 ALA CA C 92 53.583 53.583 52.652 0.931 17588 11713 1 20 . 1 1 92 92 ALA CB C 92 18.081 18.081 17.646 0.435 17588 11714 1 20 . 1 1 92 92 ALA H H 92 8.603 8.603 8.286 0.317 17588 11715 1 20 . 1 1 93 93 GLY N N 93 109.919 109.919 111.687 -1.768 17588 11716 1 20 . 1 1 93 93 GLY C C 93 176.310 176.310 173.686 2.624 17588 11717 1 20 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.895 -0.390 17588 11718 1 20 . 1 1 93 93 GLY H H 93 8.823 8.823 8.311 0.512 17588 11719 1 20 . 1 1 94 94 LYS N N 94 120.949 120.949 122.860 -1.911 17588 11720 1 20 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.186 -0.394 17588 11721 1 20 . 1 1 94 94 LYS C C 94 177.630 177.630 177.966 -0.336 17588 11722 1 20 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.913 2.693 17588 11723 1 20 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.430 -0.184 17588 11724 1 20 . 1 1 94 94 LYS H H 94 7.501 7.501 8.254 -0.753 17588 11725 1 20 . 1 1 95 95 TYR N N 95 113.034 113.034 118.499 -5.465 17588 11726 1 20 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.734 0.313 17588 11727 1 20 . 1 1 95 95 TYR C C 95 176.649 176.649 175.732 0.917 17588 11728 1 20 . 1 1 95 95 TYR CA C 95 56.936 56.936 57.208 -0.272 17588 11729 1 20 . 1 1 95 95 TYR CB C 95 39.000 39.000 36.362 2.638 17588 11730 1 20 . 1 1 95 95 TYR H H 95 8.670 8.670 8.479 0.191 17588 11731 1 20 . 1 1 96 96 ASP N N 96 123.097 123.097 121.598 1.499 17588 11732 1 20 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.591 -0.262 17588 11733 1 20 . 1 1 96 96 ASP C C 96 178.087 178.087 177.795 0.292 17588 11734 1 20 . 1 1 96 96 ASP CA C 96 58.619 58.619 56.761 1.859 17588 11735 1 20 . 1 1 96 96 ASP CB C 96 39.570 39.570 41.332 -1.762 17588 11736 1 20 . 1 1 96 96 ASP H H 96 7.756 7.756 8.010 -0.254 17588 11737 1 20 . 1 1 97 97 ARG N N 97 118.384 118.384 119.423 -1.039 17588 11738 1 20 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.276 -0.014 17588 11739 1 20 . 1 1 97 97 ARG C C 97 179.927 179.927 178.663 1.264 17588 11740 1 20 . 1 1 97 97 ARG CA C 97 59.746 59.746 58.953 0.792 17588 11741 1 20 . 1 1 97 97 ARG CB C 97 29.794 29.794 30.014 -0.220 17588 11742 1 20 . 1 1 97 97 ARG H H 97 8.897 8.897 8.274 0.623 17588 11743 1 20 . 1 1 98 98 VAL N N 98 119.642 119.642 119.936 -0.294 17588 11744 1 20 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.035 -0.097 17588 11745 1 20 . 1 1 98 98 VAL C C 98 179.630 179.630 178.013 1.617 17588 11746 1 20 . 1 1 98 98 VAL CA C 98 65.804 65.804 66.347 -0.544 17588 11747 1 20 . 1 1 98 98 VAL CB C 98 32.054 32.054 32.095 -0.041 17588 11748 1 20 . 1 1 98 98 VAL H H 98 7.578 7.578 8.117 -0.539 17588 11749 1 20 . 1 1 99 99 TYR N N 99 122.432 122.432 120.303 2.129 17588 11750 1 20 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.330 -0.396 17588 11751 1 20 . 1 1 99 99 TYR C C 99 176.400 176.400 177.001 -0.601 17588 11752 1 20 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.420 1.486 17588 11753 1 20 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.601 -0.279 17588 11754 1 20 . 1 1 99 99 TYR H H 99 8.635 8.635 7.834 0.801 17588 11755 1 20 . 1 1 100 100 ASN N N 100 117.211 117.211 118.276 -1.065 17588 11756 1 20 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.233 0.053 17588 11757 1 20 . 1 1 100 100 ASN C C 100 178.488 178.488 177.560 0.928 17588 11758 1 20 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.344 -0.488 17588 11759 1 20 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.836 0.013 17588 11760 1 20 . 1 1 100 100 ASN H H 100 9.024 9.024 8.134 0.890 17588 11761 1 20 . 1 1 101 101 GLY N N 101 105.413 105.413 107.951 -2.538 17588 11762 1 20 . 1 1 101 101 GLY C C 101 175.833 175.833 175.499 0.334 17588 11763 1 20 . 1 1 101 101 GLY CA C 101 47.032 47.032 46.789 0.243 17588 11764 1 20 . 1 1 101 101 GLY H H 101 7.908 7.908 7.765 0.143 17588 11765 1 20 . 1 1 102 102 TYR N N 102 126.373 126.373 123.699 2.674 17588 11766 1 20 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.989 -0.522 17588 11767 1 20 . 1 1 102 102 TYR C C 102 176.016 176.016 177.959 -1.943 17588 11768 1 20 . 1 1 102 102 TYR CA C 102 59.553 59.553 59.824 -0.271 17588 11769 1 20 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.191 -0.301 17588 11770 1 20 . 1 1 102 102 TYR H H 102 7.581 7.581 7.458 0.123 17588 11771 1 20 . 1 1 103 103 VAL N N 103 117.870 117.870 117.654 0.216 17588 11772 1 20 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.165 -0.023 17588 11773 1 20 . 1 1 103 103 VAL C C 103 178.786 178.786 177.907 0.879 17588 11774 1 20 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.809 -0.232 17588 11775 1 20 . 1 1 103 103 VAL CB C 103 31.747 31.747 31.282 0.465 17588 11776 1 20 . 1 1 103 103 VAL H H 103 7.510 7.510 7.767 -0.257 17588 11777 1 20 . 1 1 104 104 ILE N N 104 116.770 116.770 118.309 -1.539 17588 11778 1 20 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.621 0.071 17588 11779 1 20 . 1 1 104 104 ILE C C 104 178.703 178.703 178.176 0.527 17588 11780 1 20 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.167 -0.330 17588 11781 1 20 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.632 0.300 17588 11782 1 20 . 1 1 104 104 ILE H H 104 7.056 7.056 7.449 -0.393 17588 11783 1 20 . 1 1 105 105 HIS N N 105 121.324 121.324 120.003 1.321 17588 11784 1 20 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.121 -0.169 17588 11785 1 20 . 1 1 105 105 HIS C C 105 176.974 176.974 177.937 -0.963 17588 11786 1 20 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.953 0.197 17588 11787 1 20 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.705 0.819 17588 11788 1 20 . 1 1 105 105 HIS H H 105 7.864 7.864 8.407 -0.543 17588 11789 1 20 . 1 1 106 106 LEU N N 106 115.126 115.126 119.280 -4.154 17588 11790 1 20 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.301 -0.466 17588 11791 1 20 . 1 1 106 106 LEU C C 106 177.315 177.315 177.973 -0.658 17588 11792 1 20 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.567 -1.860 17588 11793 1 20 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.702 0.339 17588 11794 1 20 . 1 1 106 106 LEU H H 106 7.517 7.517 7.835 -0.318 17588 11795 1 20 . 1 1 107 107 ASP N N 107 119.221 119.221 119.408 -0.187 17588 11796 1 20 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.265 0.236 17588 11797 1 20 . 1 1 107 107 ASP C C 107 175.224 175.224 176.893 -1.669 17588 11798 1 20 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.708 -1.090 17588 11799 1 20 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.416 0.349 17588 11800 1 20 . 1 1 107 107 ASP H H 107 7.512 7.512 8.135 -0.623 17588 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 98 2.647 0.095 2.659 17588 2 1 1 "Average Difference" HA 109 0.273 0.060 0.268 17588 3 1 1 "Average Difference" C 101 1.255 -0.589 1.114 17588 4 1 1 "Average Difference" CA 102 0.974 -0.191 0.960 17588 5 1 1 "Average Difference" CB 95 1.101 0.227 1.083 17588 6 1 1 "Average Difference" HN 99 0.454 0.027 0.455 17588 7 1 2 "Average Difference" N 98 2.418 0.226 2.419 17588 8 1 2 "Average Difference" HA 109 0.256 0.012 0.257 17588 9 1 2 "Average Difference" C 101 1.219 -0.484 1.125 17588 10 1 2 "Average Difference" CA 102 1.053 -0.194 1.041 17588 11 1 2 "Average Difference" CB 95 1.076 0.047 1.080 17588 12 1 2 "Average Difference" HN 99 0.429 0.018 0.431 17588 13 1 3 "Average Difference" N 98 2.519 0.370 2.504 17588 14 1 3 "Average Difference" HA 109 0.301 0.000 0.302 17588 15 1 3 "Average Difference" C 101 1.243 -0.535 1.127 17588 16 1 3 "Average Difference" CA 102 1.039 -0.125 1.036 17588 17 1 3 "Average Difference" CB 95 1.083 0.106 1.083 17588 18 1 3 "Average Difference" HN 99 0.407 0.012 0.409 17588 19 1 4 "Average Difference" N 98 2.436 -0.014 2.448 17588 20 1 4 "Average Difference" HA 109 0.365 0.089 0.356 17588 21 1 4 "Average Difference" C 101 1.402 -0.711 1.214 17588 22 1 4 "Average Difference" CA 102 1.015 -0.277 0.981 17588 23 1 4 "Average Difference" CB 95 1.234 0.338 1.193 17588 24 1 4 "Average Difference" HN 99 0.416 0.071 0.412 17588 25 1 5 "Average Difference" N 98 2.399 -0.229 2.400 17588 26 1 5 "Average Difference" HA 109 0.306 0.058 0.302 17588 27 1 5 "Average Difference" C 101 1.250 -0.550 1.128 17588 28 1 5 "Average Difference" CA 102 0.976 -0.160 0.968 17588 29 1 5 "Average Difference" CB 95 1.147 0.138 1.145 17588 30 1 5 "Average Difference" HN 99 0.429 -0.020 0.430 17588 31 1 6 "Average Difference" N 98 2.569 0.141 2.579 17588 32 1 6 "Average Difference" HA 109 0.285 0.023 0.286 17588 33 1 6 "Average Difference" C 101 1.282 -0.574 1.152 17588 34 1 6 "Average Difference" CA 102 0.980 -0.135 0.976 17588 35 1 6 "Average Difference" CB 95 1.224 0.124 1.224 17588 36 1 6 "Average Difference" HN 99 0.434 0.031 0.435 17588 37 1 7 "Average Difference" N 98 2.204 -0.020 2.216 17588 38 1 7 "Average Difference" HA 109 0.354 0.079 0.347 17588 39 1 7 "Average Difference" C 101 1.351 -0.703 1.159 17588 40 1 7 "Average Difference" CA 102 1.108 -0.253 1.084 17588 41 1 7 "Average Difference" CB 95 1.239 0.320 1.203 17588 42 1 7 "Average Difference" HN 99 0.407 0.024 0.409 17588 43 1 8 "Average Difference" N 98 2.569 -0.215 2.573 17588 44 1 8 "Average Difference" HA 109 0.328 0.046 0.326 17588 45 1 8 "Average Difference" C 101 1.388 -0.666 1.223 17588 46 1 8 "Average Difference" CA 102 1.029 -0.197 1.015 17588 47 1 8 "Average Difference" CB 95 1.230 0.186 1.222 17588 48 1 8 "Average Difference" HN 99 0.413 0.024 0.414 17588 49 1 9 "Average Difference" N 98 2.470 0.195 2.475 17588 50 1 9 "Average Difference" HA 109 0.268 -0.016 0.269 17588 51 1 9 "Average Difference" C 101 1.172 -0.422 1.099 17588 52 1 9 "Average Difference" CA 102 0.988 -0.156 0.980 17588 53 1 9 "Average Difference" CB 95 1.163 0.018 1.169 17588 54 1 9 "Average Difference" HN 99 0.407 -0.003 0.409 17588 55 1 10 "Average Difference" N 98 2.540 -0.022 2.553 17588 56 1 10 "Average Difference" HA 109 0.279 0.027 0.279 17588 57 1 10 "Average Difference" C 101 1.291 -0.577 1.161 17588 58 1 10 "Average Difference" CA 102 1.036 -0.158 1.029 17588 59 1 10 "Average Difference" CB 95 1.284 0.216 1.273 17588 60 1 10 "Average Difference" HN 99 0.486 0.002 0.488 17588 61 1 11 "Average Difference" N 98 2.483 0.218 2.486 17588 62 1 11 "Average Difference" HA 109 0.341 0.066 0.336 17588 63 1 11 "Average Difference" C 101 1.382 -0.670 1.215 17588 64 1 11 "Average Difference" CA 102 1.106 -0.203 1.093 17588 65 1 11 "Average Difference" CB 95 1.281 0.288 1.255 17588 66 1 11 "Average Difference" HN 99 0.462 0.076 0.458 17588 67 1 12 "Average Difference" N 98 2.452 0.144 2.460 17588 68 1 12 "Average Difference" HA 109 0.279 0.050 0.276 17588 69 1 12 "Average Difference" C 101 1.256 -0.596 1.111 17588 70 1 12 "Average Difference" CA 102 1.044 -0.205 1.029 17588 71 1 12 "Average Difference" CB 95 1.175 0.162 1.170 17588 72 1 12 "Average Difference" HN 99 0.423 -0.032 0.424 17588 73 1 13 "Average Difference" N 98 2.555 0.160 2.563 17588 74 1 13 "Average Difference" HA 109 0.269 0.009 0.270 17588 75 1 13 "Average Difference" C 101 1.205 -0.537 1.084 17588 76 1 13 "Average Difference" CA 102 1.096 -0.173 1.088 17588 77 1 13 "Average Difference" CB 95 1.125 0.210 1.111 17588 78 1 13 "Average Difference" HN 99 0.442 0.027 0.443 17588 79 1 14 "Average Difference" N 98 2.373 -0.139 2.381 17588 80 1 14 "Average Difference" HA 109 0.302 0.035 0.301 17588 81 1 14 "Average Difference" C 101 1.249 -0.539 1.133 17588 82 1 14 "Average Difference" CA 102 1.041 -0.140 1.036 17588 83 1 14 "Average Difference" CB 95 1.157 0.164 1.151 17588 84 1 14 "Average Difference" HN 99 0.416 -0.040 0.417 17588 85 1 15 "Average Difference" N 98 2.494 0.007 2.507 17588 86 1 15 "Average Difference" HA 109 0.295 0.010 0.296 17588 87 1 15 "Average Difference" C 101 1.264 -0.541 1.148 17588 88 1 15 "Average Difference" CA 102 1.136 -0.141 1.133 17588 89 1 15 "Average Difference" CB 95 0.979 0.126 0.976 17588 90 1 15 "Average Difference" HN 99 0.409 -0.017 0.411 17588 91 1 16 "Average Difference" N 98 2.543 0.331 2.534 17588 92 1 16 "Average Difference" HA 109 0.244 0.017 0.244 17588 93 1 16 "Average Difference" C 101 1.141 -0.461 1.049 17588 94 1 16 "Average Difference" CA 102 1.094 -0.124 1.093 17588 95 1 16 "Average Difference" CB 95 1.032 0.032 1.037 17588 96 1 16 "Average Difference" HN 99 0.422 0.020 0.424 17588 97 1 17 "Average Difference" N 98 2.370 0.252 2.369 17588 98 1 17 "Average Difference" HA 109 0.317 0.051 0.314 17588 99 1 17 "Average Difference" C 101 1.355 -0.603 1.219 17588 100 1 17 "Average Difference" CA 102 1.091 -0.285 1.058 17588 101 1 17 "Average Difference" CB 95 1.182 0.249 1.162 17588 102 1 17 "Average Difference" HN 99 0.456 0.024 0.458 17588 103 1 18 "Average Difference" N 98 2.244 0.290 2.237 17588 104 1 18 "Average Difference" HA 109 0.270 0.019 0.271 17588 105 1 18 "Average Difference" C 101 1.228 -0.569 1.093 17588 106 1 18 "Average Difference" CA 102 1.004 -0.201 0.988 17588 107 1 18 "Average Difference" CB 95 1.110 0.184 1.100 17588 108 1 18 "Average Difference" HN 99 0.419 0.011 0.421 17588 109 1 19 "Average Difference" N 98 2.397 0.008 2.410 17588 110 1 19 "Average Difference" HA 109 0.339 0.052 0.337 17588 111 1 19 "Average Difference" C 101 1.326 -0.681 1.143 17588 112 1 19 "Average Difference" CA 102 1.146 -0.316 1.107 17588 113 1 19 "Average Difference" CB 95 1.246 0.263 1.224 17588 114 1 19 "Average Difference" HN 99 0.448 0.048 0.447 17588 115 1 20 "Average Difference" N 98 2.325 0.226 2.326 17588 116 1 20 "Average Difference" HA 109 0.267 -0.019 0.268 17588 117 1 20 "Average Difference" C 101 1.207 -0.539 1.086 17588 118 1 20 "Average Difference" CA 102 1.110 -0.125 1.108 17588 119 1 20 "Average Difference" CB 95 1.214 0.085 1.217 17588 120 1 20 "Average Difference" HN 99 0.461 0.000 0.463 17588 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 17588 _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 6 6 SER HA H 6 4.480 4.480 4.964 -0.484 17588 2 1 . 1 1 6 6 SER C C 6 174.995 174.995 173.559 1.436 17588 3 1 . 1 1 6 6 SER CA C 6 58.675 58.675 57.858 0.817 17588 4 1 . 1 1 6 6 SER CB C 6 63.822 63.822 64.436 -0.614 17588 5 1 . 1 1 7 7 GLY N N 7 110.458 110.458 110.219 0.239 17588 6 1 . 1 1 7 7 GLY C C 7 173.853 173.853 172.917 0.936 17588 7 1 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.945 0.402 17588 8 1 . 1 1 7 7 GLY H H 7 8.394 8.394 8.650 -0.256 17588 9 1 . 1 1 8 8 ASN N N 8 119.020 119.020 118.187 0.833 17588 10 1 . 1 1 8 8 ASN HA H 8 4.757 4.757 4.919 -0.162 17588 11 1 . 1 1 8 8 ASN C C 8 175.389 175.389 174.118 1.271 17588 12 1 . 1 1 8 8 ASN CA C 8 53.231 53.231 52.735 0.496 17588 13 1 . 1 1 8 8 ASN CB C 8 38.959 38.959 40.394 -1.435 17588 14 1 . 1 1 8 8 ASN H H 8 8.308 8.308 8.534 -0.226 17588 15 1 . 1 1 9 9 VAL N N 9 120.281 120.281 120.097 0.184 17588 16 1 . 1 1 9 9 VAL HA H 9 4.115 4.115 4.291 -0.176 17588 17 1 . 1 1 9 9 VAL C C 9 175.980 175.980 174.803 1.177 17588 18 1 . 1 1 9 9 VAL CA C 9 62.468 62.468 62.296 0.172 17588 19 1 . 1 1 9 9 VAL CB C 9 32.712 32.712 33.299 -0.588 17588 20 1 . 1 1 9 9 VAL H H 9 8.173 8.173 8.426 -0.253 17588 21 1 . 1 1 10 10 ASP N N 10 123.840 123.840 123.940 -0.100 17588 22 1 . 1 1 10 10 ASP HA H 10 4.624 4.624 4.871 -0.247 17588 23 1 . 1 1 10 10 ASP C C 10 176.599 176.599 175.075 1.524 17588 24 1 . 1 1 10 10 ASP CA C 10 54.390 54.390 53.886 0.504 17588 25 1 . 1 1 10 10 ASP CB C 10 41.343 41.343 42.347 -1.004 17588 26 1 . 1 1 10 10 ASP H H 10 8.418 8.418 8.510 -0.092 17588 27 1 . 1 1 11 11 SER N N 11 117.003 117.003 115.694 1.309 17588 28 1 . 1 1 11 11 SER HA H 11 4.395 4.395 4.768 -0.373 17588 29 1 . 1 1 11 11 SER C C 11 174.834 174.834 173.233 1.601 17588 30 1 . 1 1 11 11 SER CA C 11 58.886 58.886 57.886 1.000 17588 31 1 . 1 1 11 11 SER CB C 11 63.740 63.740 64.660 -0.920 17588 32 1 . 1 1 11 11 SER H H 11 8.312 8.312 8.499 -0.187 17588 33 1 . 1 1 12 12 ASN N N 12 120.512 120.512 119.392 1.120 17588 34 1 . 1 1 12 12 ASN HA H 12 4.685 4.685 4.927 -0.242 17588 35 1 . 1 1 12 12 ASN C C 12 175.646 175.646 173.781 1.865 17588 36 1 . 1 1 12 12 ASN CA C 12 53.793 53.793 52.967 0.826 17588 37 1 . 1 1 12 12 ASN CB C 12 38.630 38.630 39.630 -1.000 17588 38 1 . 1 1 12 12 ASN H H 12 8.511 8.511 8.596 -0.085 17588 39 1 . 1 1 13 13 GLN N N 13 120.057 120.057 119.318 0.739 17588 40 1 . 1 1 13 13 GLN HA H 13 4.238 4.238 4.590 -0.351 17588 41 1 . 1 1 13 13 GLN C C 13 175.988 175.988 174.336 1.652 17588 42 1 . 1 1 13 13 GLN CA C 13 56.447 56.447 55.377 1.070 17588 43 1 . 1 1 13 13 GLN CB C 13 29.137 29.137 30.552 -1.415 17588 44 1 . 1 1 13 13 GLN H H 13 8.258 8.258 8.576 -0.318 17588 45 1 . 1 1 14 14 ASN N N 14 119.323 119.323 118.877 0.446 17588 46 1 . 1 1 14 14 ASN HA H 14 4.685 4.685 4.939 -0.254 17588 47 1 . 1 1 14 14 ASN C C 14 175.552 175.552 173.848 1.704 17588 48 1 . 1 1 14 14 ASN CA C 14 53.565 53.565 52.816 0.749 17588 49 1 . 1 1 14 14 ASN CB C 14 38.763 38.763 40.079 -1.316 17588 50 1 . 1 1 14 14 ASN H H 14 8.377 8.377 8.541 -0.164 17588 51 1 . 1 1 15 15 LYS N N 15 121.938 121.938 119.880 2.058 17588 52 1 . 1 1 15 15 LYS HA H 15 4.214 4.214 4.638 -0.424 17588 53 1 . 1 1 15 15 LYS C C 15 176.933 176.933 175.021 1.912 17588 54 1 . 1 1 15 15 LYS CA C 15 57.235 57.235 55.821 1.414 17588 55 1 . 1 1 15 15 LYS CB C 15 32.753 32.753 33.701 -0.948 17588 56 1 . 1 1 15 15 LYS H H 15 8.224 8.224 8.501 -0.277 17588 57 1 . 1 1 16 16 ALA N N 16 123.956 123.956 123.765 0.191 17588 58 1 . 1 1 16 16 ALA HA H 16 4.274 4.274 4.528 -0.254 17588 59 1 . 1 1 16 16 ALA C C 16 178.593 178.593 177.086 1.507 17588 60 1 . 1 1 16 16 ALA CA C 16 53.442 53.442 51.849 1.593 17588 61 1 . 1 1 16 16 ALA CB C 16 18.863 18.863 20.093 -1.230 17588 62 1 . 1 1 16 16 ALA H H 16 8.292 8.292 8.290 0.002 17588 63 1 . 1 1 17 17 SER N N 17 114.462 114.462 116.941 -2.479 17588 64 1 . 1 1 17 17 SER HA H 17 4.365 4.365 4.476 -0.111 17588 65 1 . 1 1 17 17 SER C C 17 175.370 175.370 174.517 0.853 17588 66 1 . 1 1 17 17 SER CA C 17 59.077 59.077 58.332 0.745 17588 67 1 . 1 1 17 17 SER CB C 17 63.383 63.383 62.968 0.415 17588 68 1 . 1 1 17 17 SER H H 17 8.200 8.200 8.470 -0.270 17588 69 1 . 1 1 18 18 MET N N 18 121.999 121.999 122.917 -0.918 17588 70 1 . 1 1 18 18 MET HA H 18 4.429 4.429 4.365 0.064 17588 71 1 . 1 1 18 18 MET C C 18 176.829 176.829 175.659 1.170 17588 72 1 . 1 1 18 18 MET CA C 18 56.357 56.357 56.105 0.252 17588 73 1 . 1 1 18 18 MET CB C 18 32.630 32.630 32.761 -0.131 17588 74 1 . 1 1 18 18 MET H H 18 8.214 8.214 8.284 -0.070 17588 75 1 . 1 1 19 19 LEU N N 19 122.083 122.083 122.131 -0.048 17588 76 1 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.595 -0.339 17588 77 1 . 1 1 19 19 LEU C C 19 177.774 177.774 175.831 1.943 17588 78 1 . 1 1 19 19 LEU CA C 19 56.111 56.111 55.034 1.077 17588 79 1 . 1 1 19 19 LEU CB C 19 42.041 42.041 43.501 -1.460 17588 80 1 . 1 1 19 19 LEU H H 19 8.076 8.076 8.111 -0.035 17588 81 1 . 1 1 20 20 GLN N N 20 120.123 120.123 122.128 -2.005 17588 82 1 . 1 1 20 20 GLN HA H 20 4.207 4.207 4.590 -0.383 17588 83 1 . 1 1 20 20 GLN C C 20 176.166 176.166 174.421 1.745 17588 84 1 . 1 1 20 20 GLN CA C 20 56.409 56.409 55.553 0.856 17588 85 1 . 1 1 20 20 GLN CB C 20 29.196 29.196 30.226 -1.030 17588 86 1 . 1 1 20 20 GLN H H 20 8.174 8.174 8.499 -0.325 17588 87 1 . 1 1 21 21 ALA N N 21 124.216 124.216 124.943 -0.727 17588 88 1 . 1 1 21 21 ALA HA H 21 4.254 4.254 4.664 -0.410 17588 89 1 . 1 1 21 21 ALA C C 21 178.034 178.034 176.424 1.610 17588 90 1 . 1 1 21 21 ALA CA C 21 53.126 53.126 51.834 1.292 17588 91 1 . 1 1 21 21 ALA CB C 21 19.071 19.071 20.255 -1.184 17588 92 1 . 1 1 21 21 ALA H H 21 8.151 8.151 8.435 -0.284 17588 93 1 . 1 1 22 22 ARG N N 22 119.591 119.591 121.615 -2.024 17588 94 1 . 1 1 22 22 ARG HA H 22 4.308 4.308 4.612 -0.304 17588 95 1 . 1 1 22 22 ARG C C 22 176.750 176.750 175.107 1.643 17588 96 1 . 1 1 22 22 ARG CA C 22 56.427 56.427 55.774 0.653 17588 97 1 . 1 1 22 22 ARG CB C 22 30.616 30.616 31.144 -0.528 17588 98 1 . 1 1 22 22 ARG H H 22 8.147 8.147 8.606 -0.459 17588 99 1 . 1 1 23 23 LEU N N 23 122.553 122.553 122.249 0.304 17588 100 1 . 1 1 23 23 LEU HA H 23 4.274 4.274 4.631 -0.357 17588 101 1 . 1 1 23 23 LEU C C 23 177.547 177.547 175.888 1.659 17588 102 1 . 1 1 23 23 LEU CA C 23 55.690 55.690 54.689 1.001 17588 103 1 . 1 1 23 23 LEU CB C 23 42.082 42.082 43.247 -1.165 17588 104 1 . 1 1 23 23 LEU H H 23 8.220 8.220 8.440 -0.220 17588 105 1 . 1 1 24 24 ASN N N 24 118.666 118.666 119.152 -0.486 17588 106 1 . 1 1 24 24 ASN HA H 24 4.673 4.673 4.912 -0.239 17588 107 1 . 1 1 24 24 ASN C C 24 175.246 175.246 174.052 1.194 17588 108 1 . 1 1 24 24 ASN CA C 24 53.565 53.565 52.820 0.745 17588 109 1 . 1 1 24 24 ASN CB C 24 38.836 38.836 40.054 -1.218 17588 110 1 . 1 1 24 24 ASN H H 24 8.351 8.351 8.490 -0.139 17588 111 1 . 1 1 25 25 ASP N N 25 120.897 120.897 121.544 -0.646 17588 112 1 . 1 1 25 25 ASP HA H 25 4.576 4.576 4.711 -0.135 17588 113 1 . 1 1 25 25 ASP C C 25 176.732 176.732 175.559 1.173 17588 114 1 . 1 1 25 25 ASP CA C 25 54.706 54.706 54.287 0.419 17588 115 1 . 1 1 25 25 ASP CB C 25 41.219 41.219 41.882 -0.663 17588 116 1 . 1 1 25 25 ASP H H 25 8.234 8.234 8.583 -0.349 17588 117 1 . 1 1 26 26 GLU N N 26 121.168 121.168 121.150 0.018 17588 118 1 . 1 1 26 26 GLU HA H 26 4.214 4.214 4.460 -0.246 17588 119 1 . 1 1 26 26 GLU C C 26 176.857 176.857 175.626 1.231 17588 120 1 . 1 1 26 26 GLU CA C 26 57.247 57.247 56.061 1.186 17588 121 1 . 1 1 26 26 GLU CB C 26 29.959 29.959 30.473 -0.514 17588 122 1 . 1 1 26 26 GLU H H 26 8.368 8.368 8.421 -0.053 17588 123 1 . 1 1 27 27 ALA N N 27 124.100 124.100 125.339 -1.239 17588 124 1 . 1 1 27 27 ALA HA H 27 4.317 4.317 4.501 -0.184 17588 125 1 . 1 1 27 27 ALA C C 27 178.520 178.520 177.298 1.222 17588 126 1 . 1 1 27 27 ALA CA C 27 52.986 52.986 52.223 0.763 17588 127 1 . 1 1 27 27 ALA CB C 27 18.945 18.945 19.136 -0.191 17588 128 1 . 1 1 27 27 ALA H H 27 8.289 8.289 8.460 -0.172 17588 129 1 . 1 1 28 28 GLY N N 28 107.844 107.844 107.619 0.225 17588 130 1 . 1 1 28 28 GLY C C 28 175.019 175.019 174.335 0.685 17588 131 1 . 1 1 28 28 GLY CA C 28 45.628 45.628 45.146 0.482 17588 132 1 . 1 1 28 28 GLY H H 28 8.315 8.315 8.553 -0.238 17588 133 1 . 1 1 29 29 GLY N N 29 108.754 108.754 109.053 -0.299 17588 134 1 . 1 1 29 29 GLY C C 29 174.659 174.659 173.843 0.816 17588 135 1 . 1 1 29 29 GLY CA C 29 45.487 45.487 45.098 0.389 17588 136 1 . 1 1 29 29 GLY H H 29 8.266 8.266 8.394 -0.128 17588 137 1 . 1 1 30 30 THR N N 30 114.068 114.068 114.629 -0.561 17588 138 1 . 1 1 30 30 THR HA H 30 4.301 4.301 4.449 -0.148 17588 139 1 . 1 1 30 30 THR C C 30 174.789 174.789 174.059 0.730 17588 140 1 . 1 1 30 30 THR CA C 30 62.327 62.327 61.808 0.518 17588 141 1 . 1 1 30 30 THR CB C 30 69.553 69.553 69.813 -0.260 17588 142 1 . 1 1 30 30 THR H H 30 8.111 8.111 8.066 0.045 17588 143 1 . 1 1 31 31 ARG N N 31 123.536 123.536 124.351 -0.815 17588 144 1 . 1 1 31 31 ARG HA H 31 4.299 4.299 4.564 -0.265 17588 145 1 . 1 1 31 31 ARG C C 31 176.125 176.125 175.533 0.592 17588 146 1 . 1 1 31 31 ARG CA C 31 56.462 56.462 55.704 0.759 17588 147 1 . 1 1 31 31 ARG CB C 31 30.657 30.657 30.842 -0.185 17588 148 1 . 1 1 31 31 ARG H H 31 8.343 8.343 8.446 -0.103 17588 149 1 . 1 1 32 32 LEU N N 32 122.865 122.865 124.209 -1.344 17588 150 1 . 1 1 32 32 LEU HA H 32 4.319 4.319 4.477 -0.158 17588 151 1 . 1 1 32 32 LEU C C 32 177.036 177.036 176.449 0.587 17588 152 1 . 1 1 32 32 LEU CA C 32 55.233 55.233 54.511 0.722 17588 153 1 . 1 1 32 32 LEU CB C 32 42.264 42.264 42.444 -0.179 17588 154 1 . 1 1 32 32 LEU H H 32 8.203 8.203 8.381 -0.178 17588 155 1 . 1 1 33 33 LEU N N 33 123.054 123.054 123.258 -0.204 17588 156 1 . 1 1 33 33 LEU HA H 33 4.336 4.336 4.606 -0.270 17588 157 1 . 1 1 33 33 LEU C C 33 177.022 177.022 176.444 0.578 17588 158 1 . 1 1 33 33 LEU CA C 33 55.069 55.069 54.549 0.520 17588 159 1 . 1 1 33 33 LEU CB C 33 42.288 42.288 42.887 -0.599 17588 160 1 . 1 1 33 33 LEU H H 33 8.150 8.150 8.176 -0.026 17588 161 1 . 1 1 34 34 ARG N N 34 122.226 122.226 122.878 -0.652 17588 162 1 . 1 1 34 34 ARG HA H 34 4.337 4.337 4.492 -0.155 17588 163 1 . 1 1 34 34 ARG C C 34 175.950 175.950 175.298 0.652 17588 164 1 . 1 1 34 34 ARG CA C 34 55.918 55.918 55.587 0.331 17588 165 1 . 1 1 34 34 ARG CB C 34 30.781 30.781 31.046 -0.265 17588 166 1 . 1 1 34 34 ARG H H 34 8.248 8.248 8.346 -0.098 17588 167 1 . 1 1 35 35 VAL N N 35 121.294 121.294 121.839 -0.545 17588 168 1 . 1 1 35 35 VAL HA H 35 4.041 4.041 4.094 -0.053 17588 169 1 . 1 1 35 35 VAL C C 35 175.709 175.709 175.496 0.213 17588 170 1 . 1 1 35 35 VAL CA C 35 62.240 62.240 62.512 -0.272 17588 171 1 . 1 1 35 35 VAL CB C 35 32.753 32.753 32.435 0.318 17588 172 1 . 1 1 35 35 VAL H H 35 8.107 8.107 8.342 -0.235 17588 173 1 . 1 1 36 36 HIS N N 36 123.522 123.522 122.690 0.832 17588 174 1 . 1 1 36 36 HIS HA H 36 4.598 4.598 4.590 0.008 17588 175 1 . 1 1 36 36 HIS C C 36 174.825 174.825 174.523 0.302 17588 176 1 . 1 1 36 36 HIS CA C 36 56.111 56.111 56.074 0.037 17588 177 1 . 1 1 36 36 HIS CB C 36 30.944 30.944 29.991 0.953 17588 178 1 . 1 1 36 36 HIS H H 36 8.410 8.410 8.366 0.044 17588 179 1 . 1 1 37 37 HIS HA H 37 4.600 4.600 4.615 -0.015 17588 180 1 . 1 1 37 37 HIS C C 37 175.173 175.173 174.751 0.422 17588 181 1 . 1 1 37 37 HIS CA C 37 56.217 56.217 55.996 0.221 17588 182 1 . 1 1 37 37 HIS CB C 37 31.027 31.027 30.450 0.577 17588 183 1 . 1 1 38 38 GLU N N 38 122.826 122.826 122.109 0.717 17588 184 1 . 1 1 38 38 GLU HA H 38 4.255 4.255 4.360 -0.105 17588 185 1 . 1 1 38 38 GLU C C 38 176.483 176.483 175.700 0.783 17588 186 1 . 1 1 38 38 GLU CA C 38 56.919 56.919 56.346 0.573 17588 187 1 . 1 1 38 38 GLU CB C 38 30.328 30.328 30.620 -0.292 17588 188 1 . 1 1 38 38 GLU H H 38 8.569 8.569 8.399 0.170 17588 189 1 . 1 1 39 39 SER N N 39 116.398 116.398 116.683 -0.285 17588 190 1 . 1 1 39 39 SER HA H 39 4.454 4.454 4.429 0.025 17588 191 1 . 1 1 39 39 SER C C 39 174.497 174.497 173.878 0.619 17588 192 1 . 1 1 39 39 SER CA C 39 58.552 58.552 58.148 0.403 17588 193 1 . 1 1 39 39 SER CB C 39 64.028 64.028 63.931 0.097 17588 194 1 . 1 1 39 39 SER H H 39 8.444 8.444 8.280 0.164 17588 195 1 . 1 1 40 40 ASP N N 40 122.831 122.831 122.331 0.500 17588 196 1 . 1 1 40 40 ASP HA H 40 4.672 4.672 4.673 -0.001 17588 197 1 . 1 1 40 40 ASP C C 40 176.783 176.783 175.579 1.204 17588 198 1 . 1 1 40 40 ASP CA C 40 54.759 54.759 54.237 0.522 17588 199 1 . 1 1 40 40 ASP CB C 40 41.014 41.014 41.378 -0.364 17588 200 1 . 1 1 40 40 ASP H H 40 8.469 8.469 8.403 0.066 17588 201 1 . 1 1 41 41 THR N N 41 113.679 113.679 115.808 -2.129 17588 202 1 . 1 1 41 41 THR HA H 41 4.181 4.181 4.382 -0.201 17588 203 1 . 1 1 41 41 THR C C 41 175.314 175.314 174.174 1.140 17588 204 1 . 1 1 41 41 THR CA C 41 62.819 62.819 61.891 0.928 17588 205 1 . 1 1 41 41 THR CB C 41 69.576 69.576 69.337 0.239 17588 206 1 . 1 1 41 41 THR H H 41 8.066 8.066 8.164 -0.098 17588 207 1 . 1 1 42 42 GLU N N 42 122.776 122.776 125.652 -2.876 17588 208 1 . 1 1 42 42 GLU HA H 42 4.208 4.208 4.327 -0.119 17588 209 1 . 1 1 42 42 GLU C C 42 177.129 177.129 176.510 0.619 17588 210 1 . 1 1 42 42 GLU CA C 42 57.322 57.322 56.391 0.931 17588 211 1 . 1 1 42 42 GLU CB C 42 30.000 30.000 30.086 -0.086 17588 212 1 . 1 1 42 42 GLU H H 42 8.343 8.343 8.442 -0.099 17588 213 1 . 1 1 43 43 GLU N N 43 121.898 121.898 123.642 -1.744 17588 214 1 . 1 1 43 43 GLU HA H 43 4.211 4.211 4.334 -0.123 17588 215 1 . 1 1 43 43 GLU C C 43 177.313 177.313 177.387 -0.074 17588 216 1 . 1 1 43 43 GLU CA C 43 57.453 57.453 58.024 -0.571 17588 217 1 . 1 1 43 43 GLU CB C 43 29.959 29.959 29.936 0.023 17588 218 1 . 1 1 43 43 GLU H H 43 8.397 8.397 8.674 -0.277 17588 219 1 . 1 1 44 44 ARG N N 44 121.336 121.336 120.287 1.049 17588 220 1 . 1 1 44 44 ARG HA H 44 4.226 4.226 4.102 0.124 17588 221 1 . 1 1 44 44 ARG C C 44 178.048 178.048 177.738 0.310 17588 222 1 . 1 1 44 44 ARG CA C 44 57.779 57.779 57.986 -0.207 17588 223 1 . 1 1 44 44 ARG CB C 44 30.366 30.366 29.341 1.025 17588 224 1 . 1 1 44 44 ARG H H 44 8.401 8.401 8.419 -0.018 17588 225 1 . 1 1 45 45 GLY N N 45 109.098 109.098 109.064 0.034 17588 226 1 . 1 1 45 45 GLY C C 45 175.522 175.522 175.248 0.274 17588 227 1 . 1 1 45 45 GLY CA C 45 46.400 46.400 45.754 0.646 17588 228 1 . 1 1 45 45 GLY H H 45 8.536 8.536 8.364 0.172 17588 229 1 . 1 1 46 46 PHE N N 46 121.592 121.592 123.084 -1.492 17588 230 1 . 1 1 46 46 PHE HA H 46 4.417 4.417 4.197 0.220 17588 231 1 . 1 1 46 46 PHE C C 46 177.561 177.561 176.509 1.052 17588 232 1 . 1 1 46 46 PHE CA C 46 60.080 60.080 61.035 -0.955 17588 233 1 . 1 1 46 46 PHE CB C 46 38.911 38.911 39.212 -0.301 17588 234 1 . 1 1 46 46 PHE H H 46 8.071 8.071 7.993 0.077 17588 235 1 . 1 1 47 47 LEU N N 47 121.344 121.344 118.848 2.495 17588 236 1 . 1 1 47 47 LEU HA H 47 4.042 4.042 3.497 0.545 17588 237 1 . 1 1 47 47 LEU C C 47 179.621 179.621 178.558 1.063 17588 238 1 . 1 1 47 47 LEU CA C 47 57.460 57.460 57.900 -0.440 17588 239 1 . 1 1 47 47 LEU CB C 47 41.637 41.637 41.509 0.128 17588 240 1 . 1 1 47 47 LEU H H 47 8.215 8.215 8.138 0.077 17588 241 1 . 1 1 48 48 GLU N N 48 121.986 121.986 119.086 2.900 17588 242 1 . 1 1 48 48 GLU HA H 48 3.988 3.988 3.682 0.306 17588 243 1 . 1 1 48 48 GLU C C 48 177.573 177.573 178.256 -0.683 17588 244 1 . 1 1 48 48 GLU CA C 48 59.307 59.307 59.479 -0.172 17588 245 1 . 1 1 48 48 GLU CB C 48 29.648 29.648 29.100 0.548 17588 246 1 . 1 1 48 48 GLU H H 48 8.225 8.225 8.142 0.083 17588 247 1 . 1 1 49 49 LYS N N 49 118.759 118.759 118.530 0.229 17588 248 1 . 1 1 49 49 LYS HA H 49 3.243 3.243 3.395 -0.152 17588 249 1 . 1 1 49 49 LYS C C 49 177.659 177.659 178.431 -0.772 17588 250 1 . 1 1 49 49 LYS CA C 49 59.886 59.886 59.275 0.611 17588 251 1 . 1 1 49 49 LYS CB C 49 32.302 32.302 32.214 0.088 17588 252 1 . 1 1 49 49 LYS H H 49 7.790 7.790 7.781 0.009 17588 253 1 . 1 1 50 50 ALA N N 50 120.023 120.023 120.967 -0.944 17588 254 1 . 1 1 50 50 ALA HA H 50 3.959 3.959 3.832 0.127 17588 255 1 . 1 1 50 50 ALA C C 50 180.486 180.486 179.180 1.305 17588 256 1 . 1 1 50 50 ALA CA C 50 54.882 54.882 54.816 0.066 17588 257 1 . 1 1 50 50 ALA CB C 50 17.877 17.877 17.780 0.097 17588 258 1 . 1 1 50 50 ALA H H 50 7.798 7.798 7.474 0.324 17588 259 1 . 1 1 51 51 ALA N N 51 121.955 121.955 121.319 0.636 17588 260 1 . 1 1 51 51 ALA HA H 51 4.113 4.113 3.886 0.227 17588 261 1 . 1 1 51 51 ALA C C 51 180.762 180.762 179.516 1.246 17588 262 1 . 1 1 51 51 ALA CA C 51 55.111 55.111 55.114 -0.003 17588 263 1 . 1 1 51 51 ALA CB C 51 18.041 18.041 18.003 0.038 17588 264 1 . 1 1 51 51 ALA H H 51 7.809 7.809 7.732 0.077 17588 265 1 . 1 1 52 52 VAL N N 52 120.415 120.415 118.380 2.035 17588 266 1 . 1 1 52 52 VAL HA H 52 3.650 3.650 3.608 0.042 17588 267 1 . 1 1 52 52 VAL C C 52 178.567 178.567 178.341 0.226 17588 268 1 . 1 1 52 52 VAL CA C 52 67.227 67.227 66.737 0.490 17588 269 1 . 1 1 52 52 VAL CB C 52 31.110 31.110 30.676 0.434 17588 270 1 . 1 1 52 52 VAL H H 52 7.944 7.944 7.659 0.285 17588 271 1 . 1 1 53 53 LYS N N 53 119.231 119.231 118.833 0.398 17588 272 1 . 1 1 53 53 LYS HA H 53 3.564 3.564 3.743 -0.179 17588 273 1 . 1 1 53 53 LYS C C 53 178.546 178.546 178.947 -0.401 17588 274 1 . 1 1 53 53 LYS CA C 53 60.720 60.720 59.072 1.648 17588 275 1 . 1 1 53 53 LYS CB C 53 32.251 32.251 31.761 0.490 17588 276 1 . 1 1 53 53 LYS H H 53 8.132 8.132 7.774 0.358 17588 277 1 . 1 1 54 54 LYS N N 54 119.514 119.514 119.806 -0.292 17588 278 1 . 1 1 54 54 LYS HA H 54 3.993 3.993 3.936 0.057 17588 279 1 . 1 1 54 54 LYS C C 54 179.987 179.987 179.054 0.933 17588 280 1 . 1 1 54 54 LYS CA C 54 60.237 60.237 59.528 0.709 17588 281 1 . 1 1 54 54 LYS CB C 54 32.483 32.483 32.175 0.308 17588 282 1 . 1 1 54 54 LYS H H 54 7.956 7.956 8.154 -0.197 17588 283 1 . 1 1 55 55 MET N N 55 119.732 119.732 117.246 2.486 17588 284 1 . 1 1 55 55 MET HA H 55 4.251 4.251 4.040 0.211 17588 285 1 . 1 1 55 55 MET C C 55 177.536 177.536 178.405 -0.869 17588 286 1 . 1 1 55 55 MET CA C 55 58.396 58.396 58.484 -0.088 17588 287 1 . 1 1 55 55 MET CB C 55 34.228 34.228 31.921 2.307 17588 288 1 . 1 1 55 55 MET H H 55 7.816 7.816 8.121 -0.305 17588 289 1 . 1 1 56 56 ALA N N 56 122.295 122.295 122.369 -0.074 17588 290 1 . 1 1 56 56 ALA HA H 56 4.152 4.152 4.088 0.064 17588 291 1 . 1 1 56 56 ALA C C 56 179.615 179.615 179.509 0.106 17588 292 1 . 1 1 56 56 ALA CA C 56 55.338 55.338 55.322 0.016 17588 293 1 . 1 1 56 56 ALA CB C 56 19.106 19.106 18.058 1.048 17588 294 1 . 1 1 56 56 ALA H H 56 8.724 8.724 7.966 0.758 17588 295 1 . 1 1 57 57 LYS N N 57 117.704 117.704 119.227 -1.523 17588 296 1 . 1 1 57 57 LYS HA H 57 4.084 4.084 4.033 0.051 17588 297 1 . 1 1 57 57 LYS C C 57 179.358 179.358 178.889 0.469 17588 298 1 . 1 1 57 57 LYS CA C 57 59.974 59.974 59.700 0.274 17588 299 1 . 1 1 57 57 LYS CB C 57 32.501 32.501 32.359 0.142 17588 300 1 . 1 1 57 57 LYS H H 57 8.444 8.444 7.983 0.461 17588 301 1 . 1 1 58 58 ALA N N 58 122.736 122.736 120.743 1.993 17588 302 1 . 1 1 58 58 ALA HA H 58 4.171 4.171 4.011 0.160 17588 303 1 . 1 1 58 58 ALA C C 58 180.708 180.708 179.491 1.217 17588 304 1 . 1 1 58 58 ALA CA C 58 55.111 55.111 55.010 0.101 17588 305 1 . 1 1 58 58 ALA CB C 58 17.548 17.548 18.249 -0.702 17588 306 1 . 1 1 58 58 ALA H H 58 7.701 7.701 7.570 0.131 17588 307 1 . 1 1 59 59 ILE N N 59 117.672 117.672 118.952 -1.280 17588 308 1 . 1 1 59 59 ILE HA H 59 3.673 3.673 3.927 -0.254 17588 309 1 . 1 1 59 59 ILE C C 59 177.728 177.728 178.272 -0.544 17588 310 1 . 1 1 59 59 ILE CA C 59 63.978 63.978 64.535 -0.557 17588 311 1 . 1 1 59 59 ILE CB C 59 37.813 37.813 37.982 -0.169 17588 312 1 . 1 1 59 59 ILE H H 59 7.547 7.547 7.514 0.033 17588 313 1 . 1 1 60 60 MET N N 60 117.653 117.653 116.806 0.847 17588 314 1 . 1 1 60 60 MET HA H 60 4.098 4.098 4.057 0.042 17588 315 1 . 1 1 60 60 MET C C 60 178.085 178.085 177.771 0.314 17588 316 1 . 1 1 60 60 MET CA C 60 58.060 58.060 58.274 -0.214 17588 317 1 . 1 1 60 60 MET CB C 60 32.178 32.178 32.169 0.009 17588 318 1 . 1 1 60 60 MET H H 60 7.718 7.718 8.028 -0.310 17588 319 1 . 1 1 61 61 ALA N N 61 118.874 118.874 120.495 -1.621 17588 320 1 . 1 1 61 61 ALA HA H 61 4.274 4.274 4.304 -0.030 17588 321 1 . 1 1 61 61 ALA C C 61 177.758 177.758 178.006 -0.248 17588 322 1 . 1 1 61 61 ALA CA C 61 53.442 53.442 52.961 0.481 17588 323 1 . 1 1 61 61 ALA CB C 61 19.068 19.068 19.722 -0.654 17588 324 1 . 1 1 61 61 ALA H H 61 7.513 7.513 7.576 -0.063 17588 325 1 . 1 1 62 62 ASP N N 62 115.735 115.735 118.617 -2.882 17588 326 1 . 1 1 62 62 ASP HA H 62 4.933 4.933 5.079 -0.146 17588 327 1 . 1 1 62 62 ASP C C 62 172.960 172.960 174.792 -1.832 17588 328 1 . 1 1 62 62 ASP CA C 62 51.124 51.124 51.516 -0.392 17588 329 1 . 1 1 62 62 ASP CB C 62 41.384 41.384 41.991 -0.607 17588 330 1 . 1 1 62 62 ASP H H 62 7.615 7.615 7.928 -0.313 17588 331 1 . 1 1 63 63 PRO HA H 63 4.446 4.446 4.372 0.074 17588 332 1 . 1 1 63 63 PRO C C 63 179.157 179.157 177.811 1.346 17588 333 1 . 1 1 63 63 PRO CA C 63 64.399 64.399 64.889 -0.490 17588 334 1 . 1 1 63 63 PRO CB C 63 32.260 32.260 32.345 -0.085 17588 335 1 . 1 1 64 64 ASN N N 64 115.566 115.566 116.133 -0.567 17588 336 1 . 1 1 64 64 ASN HA H 64 4.552 4.552 4.451 0.101 17588 337 1 . 1 1 64 64 ASN C C 64 176.867 176.867 177.099 -0.232 17588 338 1 . 1 1 64 64 ASN CA C 64 55.321 55.321 55.761 -0.440 17588 339 1 . 1 1 64 64 ASN CB C 64 37.901 37.901 37.580 0.321 17588 340 1 . 1 1 64 64 ASN H H 64 8.094 8.094 8.680 -0.586 17588 341 1 . 1 1 65 65 LYS N N 65 118.691 118.691 119.734 -1.043 17588 342 1 . 1 1 65 65 LYS HA H 65 4.178 4.178 4.045 0.133 17588 343 1 . 1 1 65 65 LYS C C 65 175.844 175.844 177.930 -2.086 17588 344 1 . 1 1 65 65 LYS CA C 65 56.234 56.234 58.289 -2.055 17588 345 1 . 1 1 65 65 LYS CB C 65 32.877 32.877 31.970 0.907 17588 346 1 . 1 1 65 65 LYS H H 65 8.185 8.185 7.599 0.586 17588 347 1 . 1 1 66 66 ALA N N 66 120.147 120.147 122.366 -2.219 17588 348 1 . 1 1 66 66 ALA HA H 66 3.042 3.042 3.377 -0.335 17588 349 1 . 1 1 66 66 ALA C C 66 176.697 176.697 178.782 -2.085 17588 350 1 . 1 1 66 66 ALA CA C 66 55.812 55.812 55.299 0.513 17588 351 1 . 1 1 66 66 ALA CB C 66 18.234 18.234 17.777 0.457 17588 352 1 . 1 1 66 66 ALA H H 66 7.233 7.233 7.885 -0.652 17588 353 1 . 1 1 67 67 ASP N N 67 114.524 114.524 118.245 -3.721 17588 354 1 . 1 1 67 67 ASP HA H 67 4.173 4.173 4.393 -0.220 17588 355 1 . 1 1 67 67 ASP C C 67 178.071 178.071 178.487 -0.416 17588 356 1 . 1 1 67 67 ASP CA C 67 58.368 58.368 57.570 0.798 17588 357 1 . 1 1 67 67 ASP CB C 67 40.644 40.644 40.187 0.457 17588 358 1 . 1 1 67 67 ASP H H 67 8.114 8.114 8.123 -0.009 17588 359 1 . 1 1 68 68 GLU N N 68 117.486 117.486 119.695 -2.209 17588 360 1 . 1 1 68 68 GLU HA H 68 3.893 3.893 3.973 -0.080 17588 361 1 . 1 1 68 68 GLU C C 68 178.885 178.885 178.863 0.022 17588 362 1 . 1 1 68 68 GLU CA C 68 58.745 58.745 58.944 -0.199 17588 363 1 . 1 1 68 68 GLU CB C 68 29.661 29.661 29.314 0.347 17588 364 1 . 1 1 68 68 GLU H H 68 7.846 7.846 7.561 0.285 17588 365 1 . 1 1 69 69 VAL N N 69 120.957 120.957 120.336 0.621 17588 366 1 . 1 1 69 69 VAL HA H 69 3.046 3.046 3.128 -0.082 17588 367 1 . 1 1 69 69 VAL C C 69 176.618 176.618 177.931 -1.313 17588 368 1 . 1 1 69 69 VAL CA C 69 66.453 66.453 66.253 0.200 17588 369 1 . 1 1 69 69 VAL CB C 69 31.039 31.039 30.553 0.486 17588 370 1 . 1 1 69 69 VAL H H 69 7.325 7.325 7.951 -0.626 17588 371 1 . 1 1 70 70 TYR N N 70 117.638 117.638 117.423 0.215 17588 372 1 . 1 1 70 70 TYR HA H 70 4.175 4.175 4.018 0.157 17588 373 1 . 1 1 70 70 TYR C C 70 178.493 178.493 178.078 0.415 17588 374 1 . 1 1 70 70 TYR CA C 70 57.481 57.481 60.995 -3.514 17588 375 1 . 1 1 70 70 TYR CB C 70 33.863 33.863 36.668 -2.805 17588 376 1 . 1 1 70 70 TYR H H 70 8.483 8.483 7.957 0.526 17588 377 1 . 1 1 71 71 LYS N N 71 117.283 117.283 117.955 -0.672 17588 378 1 . 1 1 71 71 LYS HA H 71 4.214 4.214 4.067 0.147 17588 379 1 . 1 1 71 71 LYS C C 71 178.790 178.790 179.129 -0.339 17588 380 1 . 1 1 71 71 LYS CA C 71 59.793 59.793 59.213 0.580 17588 381 1 . 1 1 71 71 LYS CB C 71 32.507 32.507 32.102 0.405 17588 382 1 . 1 1 71 71 LYS H H 71 7.754 7.754 7.638 0.116 17588 383 1 . 1 1 72 72 LYS N N 72 120.053 120.053 120.387 -0.334 17588 384 1 . 1 1 72 72 LYS HA H 72 4.141 4.141 3.962 0.179 17588 385 1 . 1 1 72 72 LYS C C 72 180.399 180.399 178.989 1.410 17588 386 1 . 1 1 72 72 LYS CA C 72 59.728 59.728 59.611 0.117 17588 387 1 . 1 1 72 72 LYS CB C 72 32.014 32.014 32.155 -0.141 17588 388 1 . 1 1 72 72 LYS H H 72 7.386 7.386 7.800 -0.414 17588 389 1 . 1 1 73 73 TRP N N 73 121.910 121.910 119.943 1.967 17588 390 1 . 1 1 73 73 TRP HA H 73 4.513 4.513 4.464 0.049 17588 391 1 . 1 1 73 73 TRP C C 73 177.981 177.981 178.876 -0.895 17588 392 1 . 1 1 73 73 TRP CA C 73 57.915 57.915 59.876 -1.961 17588 393 1 . 1 1 73 73 TRP CB C 73 29.562 29.562 28.308 1.254 17588 394 1 . 1 1 73 73 TRP H H 73 8.659 8.659 8.181 0.478 17588 395 1 . 1 1 74 74 ALA N N 74 123.471 123.471 120.635 2.837 17588 396 1 . 1 1 74 74 ALA HA H 74 4.492 4.492 4.252 0.240 17588 397 1 . 1 1 74 74 ALA C C 74 182.881 182.881 179.816 3.065 17588 398 1 . 1 1 74 74 ALA CA C 74 55.349 55.349 55.096 0.253 17588 399 1 . 1 1 74 74 ALA CB C 74 18.392 18.392 18.468 -0.076 17588 400 1 . 1 1 74 74 ALA H H 74 9.137 9.137 8.108 1.029 17588 401 1 . 1 1 75 75 ASP N N 75 121.896 121.896 117.571 4.325 17588 402 1 . 1 1 75 75 ASP HA H 75 4.464 4.464 4.445 0.019 17588 403 1 . 1 1 75 75 ASP C C 75 178.714 178.714 178.383 0.331 17588 404 1 . 1 1 75 75 ASP CA C 75 57.094 57.094 56.536 0.558 17588 405 1 . 1 1 75 75 ASP CB C 75 40.585 40.585 40.869 -0.284 17588 406 1 . 1 1 75 75 ASP H H 75 8.804 8.804 7.900 0.904 17588 407 1 . 1 1 76 76 LYS N N 76 118.966 118.966 117.307 1.659 17588 408 1 . 1 1 76 76 LYS HA H 76 4.029 4.029 4.046 -0.017 17588 409 1 . 1 1 76 76 LYS C C 76 176.868 176.868 177.639 -0.771 17588 410 1 . 1 1 76 76 LYS CA C 76 56.497 56.497 56.952 -0.455 17588 411 1 . 1 1 76 76 LYS CB C 76 31.685 31.685 32.874 -1.189 17588 412 1 . 1 1 76 76 LYS H H 76 7.630 7.630 8.096 -0.466 17588 413 1 . 1 1 77 77 GLY N N 77 107.310 107.310 105.595 1.715 17588 414 1 . 1 1 77 77 GLY C C 77 175.407 175.407 173.860 1.547 17588 415 1 . 1 1 77 77 GLY CA C 77 45.189 45.189 44.672 0.517 17588 416 1 . 1 1 77 77 GLY H H 77 7.901 7.901 7.693 0.208 17588 417 1 . 1 1 78 78 TYR N N 78 117.917 117.917 119.933 -2.016 17588 418 1 . 1 1 78 78 TYR HA H 78 5.292 5.292 4.967 0.325 17588 419 1 . 1 1 78 78 TYR C C 78 178.422 178.422 175.363 3.059 17588 420 1 . 1 1 78 78 TYR CA C 78 55.545 55.545 56.290 -0.745 17588 421 1 . 1 1 78 78 TYR CB C 78 36.781 36.781 40.641 -3.860 17588 422 1 . 1 1 78 78 TYR H H 78 7.506 7.506 7.616 -0.110 17588 423 1 . 1 1 79 79 THR N N 79 119.420 119.420 112.126 7.294 17588 424 1 . 1 1 79 79 THR HA H 79 4.518 4.518 4.823 -0.305 17588 425 1 . 1 1 79 79 THR C C 79 175.648 175.648 175.357 0.291 17588 426 1 . 1 1 79 79 THR CA C 79 60.027 60.027 60.170 -0.143 17588 427 1 . 1 1 79 79 THR CB C 79 71.622 71.622 71.078 0.544 17588 428 1 . 1 1 79 79 THR H H 79 8.957 8.957 8.305 0.652 17588 429 1 . 1 1 80 80 LEU N N 80 119.655 119.655 123.250 -3.595 17588 430 1 . 1 1 80 80 LEU HA H 80 4.180 4.180 4.091 0.089 17588 431 1 . 1 1 80 80 LEU C C 80 180.085 180.085 178.691 1.394 17588 432 1 . 1 1 80 80 LEU CA C 80 58.913 58.913 58.739 0.174 17588 433 1 . 1 1 80 80 LEU CB C 80 39.653 39.653 41.500 -1.847 17588 434 1 . 1 1 80 80 LEU H H 80 9.005 9.005 8.858 0.146 17588 435 1 . 1 1 81 81 THR N N 81 115.259 115.259 113.238 2.021 17588 436 1 . 1 1 81 81 THR HA H 81 3.939 3.939 3.918 0.021 17588 437 1 . 1 1 81 81 THR C C 81 177.000 177.000 176.792 0.208 17588 438 1 . 1 1 81 81 THR CA C 81 66.349 66.349 66.365 -0.016 17588 439 1 . 1 1 81 81 THR CB C 81 68.591 68.591 68.263 0.328 17588 440 1 . 1 1 81 81 THR H H 81 8.135 8.135 8.062 0.073 17588 441 1 . 1 1 82 82 GLN N N 82 121.304 121.304 119.814 1.490 17588 442 1 . 1 1 82 82 GLN HA H 82 3.653 3.653 3.735 -0.082 17588 443 1 . 1 1 82 82 GLN C C 82 178.354 178.354 177.813 0.541 17588 444 1 . 1 1 82 82 GLN CA C 82 58.640 58.640 58.038 0.602 17588 445 1 . 1 1 82 82 GLN CB C 82 28.914 28.914 28.244 0.670 17588 446 1 . 1 1 82 82 GLN H H 82 7.641 7.641 7.721 -0.080 17588 447 1 . 1 1 83 83 MET N N 83 117.464 117.464 119.714 -2.250 17588 448 1 . 1 1 83 83 MET HA H 83 4.425 4.425 3.892 0.533 17588 449 1 . 1 1 83 83 MET C C 83 177.906 177.906 178.071 -0.165 17588 450 1 . 1 1 83 83 MET CA C 83 55.462 55.462 58.101 -2.639 17588 451 1 . 1 1 83 83 MET CB C 83 29.014 29.014 32.133 -3.119 17588 452 1 . 1 1 83 83 MET H H 83 8.665 8.665 8.441 0.223 17588 453 1 . 1 1 84 84 SER N N 84 114.879 114.879 114.803 0.076 17588 454 1 . 1 1 84 84 SER HA H 84 3.689 3.689 3.804 -0.115 17588 455 1 . 1 1 84 84 SER C C 84 176.666 176.666 176.125 0.541 17588 456 1 . 1 1 84 84 SER CA C 84 61.347 61.347 61.668 -0.321 17588 457 1 . 1 1 84 84 SER CB C 84 62.356 62.356 62.551 -0.195 17588 458 1 . 1 1 84 84 SER H H 84 8.607 8.607 8.219 0.388 17588 459 1 . 1 1 85 85 ASN N N 85 117.904 117.904 118.656 -0.752 17588 460 1 . 1 1 85 85 ASN HA H 85 4.415 4.415 4.326 0.089 17588 461 1 . 1 1 85 85 ASN C C 85 177.997 177.997 177.319 0.678 17588 462 1 . 1 1 85 85 ASN CA C 85 55.953 55.953 55.575 0.378 17588 463 1 . 1 1 85 85 ASN CB C 85 38.260 38.260 37.917 0.343 17588 464 1 . 1 1 85 85 ASN H H 85 7.204 7.204 7.514 -0.310 17588 465 1 . 1 1 86 86 PHE N N 86 118.316 118.316 117.746 0.570 17588 466 1 . 1 1 86 86 PHE HA H 86 4.428 4.428 4.267 0.161 17588 467 1 . 1 1 86 86 PHE C C 86 177.478 177.478 176.796 0.682 17588 468 1 . 1 1 86 86 PHE CA C 86 58.394 58.394 59.526 -1.132 17588 469 1 . 1 1 86 86 PHE CB C 86 38.835 38.835 38.744 0.091 17588 470 1 . 1 1 86 86 PHE H H 86 8.367 8.367 7.473 0.894 17588 471 1 . 1 1 87 87 LEU N N 87 112.533 112.533 116.993 -4.460 17588 472 1 . 1 1 87 87 LEU HA H 87 4.100 4.100 3.998 0.102 17588 473 1 . 1 1 87 87 LEU C C 87 176.474 176.474 176.917 -0.443 17588 474 1 . 1 1 87 87 LEU CA C 87 54.549 54.549 55.066 -0.517 17588 475 1 . 1 1 87 87 LEU CB C 87 41.371 41.371 40.969 0.402 17588 476 1 . 1 1 87 87 LEU H H 87 7.778 7.778 7.961 -0.183 17588 477 1 . 1 1 88 88 LYS N N 88 119.798 119.798 119.663 0.135 17588 478 1 . 1 1 88 88 LYS HA H 88 4.248 4.248 4.140 0.108 17588 479 1 . 1 1 88 88 LYS C C 88 176.594 176.594 176.607 -0.013 17588 480 1 . 1 1 88 88 LYS CA C 88 57.674 57.674 56.733 0.941 17588 481 1 . 1 1 88 88 LYS CB C 88 32.671 32.671 31.674 0.997 17588 482 1 . 1 1 88 88 LYS H H 88 7.328 7.328 7.724 -0.396 17588 483 1 . 1 1 89 89 SER N N 89 117.937 117.937 117.844 0.093 17588 484 1 . 1 1 89 89 SER HA H 89 4.785 4.785 4.387 0.398 17588 485 1 . 1 1 89 89 SER CA C 89 57.375 57.375 58.088 -0.713 17588 486 1 . 1 1 89 89 SER CB C 89 64.838 64.838 62.673 2.165 17588 487 1 . 1 1 89 89 SER H H 89 8.197 8.197 8.365 -0.168 17588 488 1 . 1 1 90 90 LYS HA H 90 4.154 4.154 3.993 0.161 17588 489 1 . 1 1 90 90 LYS C C 90 177.472 177.472 175.547 1.925 17588 490 1 . 1 1 90 90 LYS CA C 90 58.394 58.394 57.562 0.832 17588 491 1 . 1 1 90 90 LYS CB C 90 31.767 31.767 31.016 0.751 17588 492 1 . 1 1 90 90 LYS H H 90 7.981 7.981 8.206 -0.225 17588 493 1 . 1 1 91 91 THR N N 91 113.435 113.435 114.554 -1.119 17588 494 1 . 1 1 91 91 THR HA H 91 4.342 4.342 4.454 -0.112 17588 495 1 . 1 1 91 91 THR C C 91 174.236 174.236 174.414 -0.178 17588 496 1 . 1 1 91 91 THR CA C 91 61.203 61.203 61.546 -0.343 17588 497 1 . 1 1 91 91 THR CB C 91 69.254 69.254 70.482 -1.228 17588 498 1 . 1 1 91 91 THR H H 91 7.942 7.942 7.691 0.251 17588 499 1 . 1 1 92 92 ALA N N 92 129.685 129.685 126.955 2.730 17588 500 1 . 1 1 92 92 ALA HA H 92 4.178 4.178 4.221 -0.043 17588 501 1 . 1 1 92 92 ALA C C 92 178.710 178.710 177.419 1.291 17588 502 1 . 1 1 92 92 ALA CA C 92 53.583 53.583 53.038 0.545 17588 503 1 . 1 1 92 92 ALA CB C 92 18.081 18.081 18.365 -0.284 17588 504 1 . 1 1 92 92 ALA H H 92 8.603 8.603 8.534 0.069 17588 505 1 . 1 1 93 93 GLY N N 93 109.919 109.919 106.698 3.221 17588 506 1 . 1 1 93 93 GLY C C 93 176.310 176.310 173.629 2.681 17588 507 1 . 1 1 93 93 GLY CA C 93 45.505 45.505 45.094 0.412 17588 508 1 . 1 1 93 93 GLY H H 93 8.823 8.823 7.922 0.901 17588 509 1 . 1 1 94 94 LYS N N 94 120.949 120.949 123.165 -2.216 17588 510 1 . 1 1 94 94 LYS HA H 94 3.792 3.792 4.290 -0.498 17588 511 1 . 1 1 94 94 LYS C C 94 177.630 177.630 176.539 1.091 17588 512 1 . 1 1 94 94 LYS CA C 94 59.606 59.606 56.600 3.006 17588 513 1 . 1 1 94 94 LYS CB C 94 33.246 33.246 33.580 -0.334 17588 514 1 . 1 1 94 94 LYS H H 94 7.501 7.501 8.239 -0.738 17588 515 1 . 1 1 95 95 TYR N N 95 113.034 113.034 118.402 -5.368 17588 516 1 . 1 1 95 95 TYR HA H 95 5.047 5.047 4.658 0.389 17588 517 1 . 1 1 95 95 TYR C C 95 176.649 176.649 175.679 0.970 17588 518 1 . 1 1 95 95 TYR CA C 95 56.936 56.936 57.251 -0.315 17588 519 1 . 1 1 95 95 TYR CB C 95 39.000 39.000 37.194 1.806 17588 520 1 . 1 1 95 95 TYR H H 95 8.670 8.670 8.457 0.213 17588 521 1 . 1 1 96 96 ASP N N 96 123.097 123.097 121.616 1.481 17588 522 1 . 1 1 96 96 ASP HA H 96 4.329 4.329 4.516 -0.187 17588 523 1 . 1 1 96 96 ASP C C 96 178.087 178.087 178.118 -0.031 17588 524 1 . 1 1 96 96 ASP CA C 96 58.619 58.619 57.231 1.388 17588 525 1 . 1 1 96 96 ASP CB C 96 39.570 39.570 41.022 -1.452 17588 526 1 . 1 1 96 96 ASP H H 96 7.756 7.756 8.410 -0.654 17588 527 1 . 1 1 97 97 ARG N N 97 118.384 118.384 119.564 -1.180 17588 528 1 . 1 1 97 97 ARG HA H 97 4.262 4.262 4.206 0.056 17588 529 1 . 1 1 97 97 ARG C C 97 179.927 179.927 178.489 1.438 17588 530 1 . 1 1 97 97 ARG CA C 97 59.746 59.746 59.164 0.582 17588 531 1 . 1 1 97 97 ARG CB C 97 29.794 29.794 29.886 -0.092 17588 532 1 . 1 1 97 97 ARG H H 97 8.897 8.897 8.573 0.324 17588 533 1 . 1 1 98 98 VAL N N 98 119.642 119.642 118.942 0.700 17588 534 1 . 1 1 98 98 VAL HA H 98 3.938 3.938 4.079 -0.141 17588 535 1 . 1 1 98 98 VAL C C 98 179.630 179.630 178.355 1.275 17588 536 1 . 1 1 98 98 VAL CA C 98 65.804 65.804 65.751 0.053 17588 537 1 . 1 1 98 98 VAL CB C 98 32.054 32.054 31.795 0.259 17588 538 1 . 1 1 98 98 VAL H H 98 7.578 7.578 7.923 -0.345 17588 539 1 . 1 1 99 99 TYR N N 99 122.432 122.432 120.880 1.552 17588 540 1 . 1 1 99 99 TYR HA H 99 3.934 3.934 4.117 -0.183 17588 541 1 . 1 1 99 99 TYR C C 99 176.400 176.400 177.551 -1.151 17588 542 1 . 1 1 99 99 TYR CA C 99 62.906 62.906 61.980 0.926 17588 543 1 . 1 1 99 99 TYR CB C 99 38.322 38.322 38.443 -0.121 17588 544 1 . 1 1 99 99 TYR H H 99 8.635 8.635 8.285 0.350 17588 545 1 . 1 1 100 100 ASN N N 100 117.211 117.211 117.575 -0.364 17588 546 1 . 1 1 100 100 ASN HA H 100 4.286 4.286 4.197 0.089 17588 547 1 . 1 1 100 100 ASN C C 100 178.488 178.488 177.740 0.748 17588 548 1 . 1 1 100 100 ASN CA C 100 55.856 55.856 56.547 -0.691 17588 549 1 . 1 1 100 100 ASN CB C 100 37.849 37.849 37.900 -0.051 17588 550 1 . 1 1 100 100 ASN H H 100 9.024 9.024 8.498 0.526 17588 551 1 . 1 1 101 101 GLY N N 101 105.413 105.413 107.934 -2.521 17588 552 1 . 1 1 101 101 GLY C C 101 175.833 175.833 175.689 0.144 17588 553 1 . 1 1 101 101 GLY CA C 101 47.032 47.032 47.117 -0.085 17588 554 1 . 1 1 101 101 GLY H H 101 7.908 7.908 7.906 0.002 17588 555 1 . 1 1 102 102 TYR N N 102 126.373 126.373 123.419 2.954 17588 556 1 . 1 1 102 102 TYR HA H 102 3.467 3.467 3.930 -0.463 17588 557 1 . 1 1 102 102 TYR C C 102 176.016 176.016 177.815 -1.799 17588 558 1 . 1 1 102 102 TYR CA C 102 59.553 59.553 60.206 -0.653 17588 559 1 . 1 1 102 102 TYR CB C 102 37.890 37.890 38.372 -0.482 17588 560 1 . 1 1 102 102 TYR H H 102 7.581 7.581 7.515 0.066 17588 561 1 . 1 1 103 103 VAL N N 103 117.870 117.870 118.173 -0.303 17588 562 1 . 1 1 103 103 VAL HA H 103 3.142 3.142 3.275 -0.133 17588 563 1 . 1 1 103 103 VAL C C 103 178.786 178.786 178.130 0.656 17588 564 1 . 1 1 103 103 VAL CA C 103 66.577 66.577 66.806 -0.229 17588 565 1 . 1 1 103 103 VAL CB C 103 31.747 31.747 31.028 0.719 17588 566 1 . 1 1 103 103 VAL H H 103 7.510 7.510 7.677 -0.167 17588 567 1 . 1 1 104 104 ILE N N 104 116.770 116.770 118.371 -1.601 17588 568 1 . 1 1 104 104 ILE HA H 104 3.692 3.692 3.641 0.051 17588 569 1 . 1 1 104 104 ILE C C 104 178.703 178.703 178.082 0.621 17588 570 1 . 1 1 104 104 ILE CA C 104 63.837 63.837 64.742 -0.904 17588 571 1 . 1 1 104 104 ILE CB C 104 37.932 37.932 37.587 0.345 17588 572 1 . 1 1 104 104 ILE H H 104 7.056 7.056 7.405 -0.349 17588 573 1 . 1 1 105 105 HIS N N 105 121.324 121.324 119.289 2.035 17588 574 1 . 1 1 105 105 HIS HA H 105 3.952 3.952 4.157 -0.205 17588 575 1 . 1 1 105 105 HIS C C 105 176.974 176.974 177.661 -0.687 17588 576 1 . 1 1 105 105 HIS CA C 105 60.150 60.150 59.670 0.480 17588 577 1 . 1 1 105 105 HIS CB C 105 30.524 30.524 29.745 0.779 17588 578 1 . 1 1 105 105 HIS H H 105 7.864 7.864 7.805 0.059 17588 579 1 . 1 1 106 106 LEU N N 106 115.126 115.126 119.092 -3.966 17588 580 1 . 1 1 106 106 LEU HA H 106 3.835 3.835 4.280 -0.445 17588 581 1 . 1 1 106 106 LEU C C 106 177.315 177.315 178.154 -0.839 17588 582 1 . 1 1 106 106 LEU CA C 106 55.707 55.707 57.176 -1.469 17588 583 1 . 1 1 106 106 LEU CB C 106 42.041 42.041 41.662 0.380 17588 584 1 . 1 1 106 106 LEU H H 106 7.517 7.517 7.938 -0.421 17588 585 1 . 1 1 107 107 ASP N N 107 119.221 119.221 118.938 0.283 17588 586 1 . 1 1 107 107 ASP HA H 107 4.501 4.501 4.334 0.167 17588 587 1 . 1 1 107 107 ASP C C 107 175.224 175.224 176.896 -1.672 17588 588 1 . 1 1 107 107 ASP CA C 107 54.618 54.618 55.804 -1.186 17588 589 1 . 1 1 107 107 ASP CB C 107 40.765 40.765 40.942 -0.177 17588 590 1 . 1 1 107 107 ASP H H 107 7.512 7.512 7.810 -0.298 17588 stop_ save_