data_18710 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18710 _Entry.PDB_ID 2LY6 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 18710 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.058 0.188 18710 2 1 1 . 1 1 3 3 LYS C C 3 176.970 176.970 178.018 -1.048 18710 3 1 1 . 1 1 3 3 LYS CA C 3 57.314 57.314 59.766 -2.452 18710 4 1 1 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.255 0.257 18710 5 1 1 . 1 1 4 4 CYS N N 4 117.663 117.663 114.127 3.536 18710 6 1 1 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.456 0.158 18710 7 1 1 . 1 1 4 4 CYS C C 4 174.336 174.336 175.435 -1.099 18710 8 1 1 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.370 -2.089 18710 9 1 1 . 1 1 4 4 CYS CB C 4 41.329 41.329 25.920 15.409 18710 10 1 1 . 1 1 4 4 CYS H H 4 8.552 8.552 8.464 0.088 18710 11 1 1 . 1 1 5 5 LYS N N 5 118.468 118.468 121.042 -2.574 18710 12 1 1 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.583 0.936 18710 13 1 1 . 1 1 5 5 LYS C C 5 176.806 176.806 175.789 1.017 18710 14 1 1 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.062 -0.307 18710 15 1 1 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.163 3.385 18710 16 1 1 . 1 1 5 5 LYS H H 5 8.067 8.067 7.635 0.432 18710 17 1 1 . 1 1 6 6 LYS N N 6 121.028 121.028 125.372 -4.344 18710 18 1 1 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.612 0.104 18710 19 1 1 . 1 1 6 6 LYS C C 6 176.149 176.149 174.301 1.848 18710 20 1 1 . 1 1 6 6 LYS CA C 6 55.267 55.267 54.928 0.339 18710 21 1 1 . 1 1 6 6 LYS CB C 6 36.779 36.779 35.789 0.990 18710 22 1 1 . 1 1 6 6 LYS H H 6 9.043 9.043 8.789 0.254 18710 23 1 1 . 1 1 7 7 VAL N N 7 128.686 128.686 123.119 5.567 18710 24 1 1 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.337 -0.440 18710 25 1 1 . 1 1 7 7 VAL C C 7 175.013 175.013 175.087 -0.074 18710 26 1 1 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.041 3.775 18710 27 1 1 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.451 -0.309 18710 28 1 1 . 1 1 7 7 VAL H H 7 8.991 8.991 8.468 0.523 18710 29 1 1 . 1 1 8 8 TYR N N 8 129.909 129.909 126.241 3.668 18710 30 1 1 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.888 -0.517 18710 31 1 1 . 1 1 8 8 TYR C C 8 175.018 175.018 174.423 0.595 18710 32 1 1 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.783 -1.396 18710 33 1 1 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.611 -3.791 18710 34 1 1 . 1 1 8 8 TYR H H 8 9.265 9.265 7.875 1.390 18710 35 1 1 . 1 1 9 9 GLU N N 9 131.262 131.262 125.058 6.204 18710 36 1 1 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.813 0.298 18710 37 1 1 . 1 1 9 9 GLU C C 9 177.071 177.071 177.185 -0.114 18710 38 1 1 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.441 0.718 18710 39 1 1 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.879 -0.791 18710 40 1 1 . 1 1 9 9 GLU H H 9 9.217 9.217 8.667 0.550 18710 41 1 1 . 1 1 10 10 ASN N N 10 115.995 115.995 115.463 0.532 18710 42 1 1 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.465 -0.111 18710 43 1 1 . 1 1 10 10 ASN C C 10 174.465 174.465 174.605 -0.140 18710 44 1 1 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.348 -0.847 18710 45 1 1 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.659 -0.587 18710 46 1 1 . 1 1 10 10 ASN H H 10 9.445 9.445 8.523 0.922 18710 47 1 1 . 1 1 11 11 TYR N N 11 122.981 122.981 118.275 4.706 18710 48 1 1 . 1 1 11 11 TYR HA H 11 4.108 4.108 4.970 -0.862 18710 49 1 1 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.266 3.129 18710 50 1 1 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.194 1.106 18710 51 1 1 . 1 1 11 11 TYR H H 11 7.533 7.533 8.055 -0.522 18710 52 1 1 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.200 0.208 18710 53 1 1 . 1 1 12 12 PRO C C 12 176.771 176.771 177.739 -0.968 18710 54 1 1 . 1 1 12 12 PRO CA C 12 62.008 62.008 61.986 0.022 18710 55 1 1 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.428 -2.110 18710 56 1 1 . 1 1 13 13 VAL N N 13 124.171 124.171 115.839 8.332 18710 57 1 1 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.841 -0.057 18710 58 1 1 . 1 1 13 13 VAL C C 13 178.748 178.748 177.269 1.479 18710 59 1 1 . 1 1 13 13 VAL CA C 13 65.650 65.650 65.053 0.597 18710 60 1 1 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.416 0.049 18710 61 1 1 . 1 1 13 13 VAL H H 13 8.195 8.195 8.384 -0.189 18710 62 1 1 . 1 1 14 14 SER N N 14 118.320 118.320 116.487 1.833 18710 63 1 1 . 1 1 14 14 SER HA H 14 4.092 4.092 4.154 -0.062 18710 64 1 1 . 1 1 14 14 SER C C 14 177.862 177.862 176.805 1.057 18710 65 1 1 . 1 1 14 14 SER CA C 14 61.300 61.300 61.650 -0.350 18710 66 1 1 . 1 1 14 14 SER CB C 14 61.302 61.302 62.447 -1.145 18710 67 1 1 . 1 1 14 14 SER H H 14 8.577 8.577 8.262 0.315 18710 68 1 1 . 1 1 15 15 LYS N N 15 121.997 121.997 119.912 2.085 18710 69 1 1 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.354 -0.351 18710 70 1 1 . 1 1 15 15 LYS C C 15 178.744 178.744 177.901 0.843 18710 71 1 1 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.415 1.295 18710 72 1 1 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.673 -1.286 18710 73 1 1 . 1 1 15 15 LYS H H 15 7.886 7.886 7.725 0.161 18710 74 1 1 . 1 1 16 16 CYS N N 16 115.824 115.824 119.848 -4.024 18710 75 1 1 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.417 0.283 18710 76 1 1 . 1 1 16 16 CYS C C 16 175.843 175.843 176.270 -0.427 18710 77 1 1 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.534 -2.482 18710 78 1 1 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.435 14.978 18710 79 1 1 . 1 1 16 16 CYS H H 16 7.848 7.848 8.250 -0.402 18710 80 1 1 . 1 1 17 17 GLN N N 17 115.165 115.165 117.489 -2.324 18710 81 1 1 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.083 0.069 18710 82 1 1 . 1 1 17 17 GLN C C 17 175.310 175.310 176.471 -1.161 18710 83 1 1 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.645 -1.397 18710 84 1 1 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.851 -0.195 18710 85 1 1 . 1 1 17 17 GLN H H 17 7.398 7.398 7.941 -0.543 18710 86 1 1 . 1 1 18 18 LEU N N 18 121.702 121.702 119.522 2.180 18710 87 1 1 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.583 -0.100 18710 88 1 1 . 1 1 18 18 LEU C C 18 176.211 176.211 176.431 -0.220 18710 89 1 1 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.396 -0.027 18710 90 1 1 . 1 1 18 18 LEU CB C 18 42.178 42.178 43.034 -0.856 18710 91 1 1 . 1 1 18 18 LEU H H 18 7.354 7.354 8.105 -0.751 18710 92 1 1 . 1 1 19 19 ALA N N 19 128.501 128.501 128.095 0.406 18710 93 1 1 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.907 0.168 18710 94 1 1 . 1 1 19 19 ALA C C 19 179.107 179.107 177.823 1.284 18710 95 1 1 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.715 -0.817 18710 96 1 1 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.754 -0.755 18710 97 1 1 . 1 1 19 19 ALA H H 19 8.735 8.735 8.878 -0.143 18710 98 1 1 . 1 1 20 20 ASN N N 20 116.786 116.786 113.253 3.533 18710 99 1 1 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.577 0.001 18710 100 1 1 . 1 1 20 20 ASN C C 20 174.900 174.900 176.556 -1.656 18710 101 1 1 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.575 0.563 18710 102 1 1 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.885 1.438 18710 103 1 1 . 1 1 20 20 ASN H H 20 9.284 9.284 8.103 1.181 18710 104 1 1 . 1 1 21 21 GLN N N 21 123.178 123.178 121.433 1.745 18710 105 1 1 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.090 -0.313 18710 106 1 1 . 1 1 21 21 GLN C C 21 176.327 176.327 177.366 -1.039 18710 107 1 1 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.672 0.797 18710 108 1 1 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.745 0.693 18710 109 1 1 . 1 1 21 21 GLN H H 21 7.696 7.696 8.554 -0.858 18710 110 1 1 . 1 1 22 22 CYS N N 22 119.327 119.327 118.833 0.494 18710 111 1 1 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.297 -0.043 18710 112 1 1 . 1 1 22 22 CYS C C 22 175.955 175.955 177.239 -1.284 18710 113 1 1 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.544 -5.152 18710 114 1 1 . 1 1 22 22 CYS CB C 22 38.574 38.574 25.868 12.706 18710 115 1 1 . 1 1 22 22 CYS H H 22 8.495 8.495 7.918 0.577 18710 116 1 1 . 1 1 23 23 ASN N N 23 119.489 119.489 118.361 1.128 18710 117 1 1 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.432 -0.667 18710 118 1 1 . 1 1 23 23 ASN C C 23 175.773 175.773 177.599 -1.826 18710 119 1 1 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.356 1.508 18710 120 1 1 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.209 2.052 18710 121 1 1 . 1 1 23 23 ASN H H 23 8.224 8.224 8.731 -0.507 18710 122 1 1 . 1 1 24 24 TYR N N 24 118.459 118.459 120.980 -2.521 18710 123 1 1 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.121 -0.295 18710 124 1 1 . 1 1 24 24 TYR C C 24 178.310 178.310 178.238 0.072 18710 125 1 1 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.023 -0.283 18710 126 1 1 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.048 0.522 18710 127 1 1 . 1 1 24 24 TYR H H 24 8.296 8.296 7.784 0.512 18710 128 1 1 . 1 1 25 25 ASP N N 25 119.944 119.944 119.650 0.294 18710 129 1 1 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.430 0.174 18710 130 1 1 . 1 1 25 25 ASP C C 25 179.719 179.719 179.144 0.575 18710 131 1 1 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.312 0.292 18710 132 1 1 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.207 0.177 18710 133 1 1 . 1 1 25 25 ASP H H 25 9.105 9.105 8.483 0.622 18710 134 1 1 . 1 1 26 26 CYS N N 26 120.503 120.503 119.483 1.020 18710 135 1 1 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.522 -0.445 18710 136 1 1 . 1 1 26 26 CYS C C 26 177.789 177.789 177.919 -0.130 18710 137 1 1 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.503 -1.975 18710 138 1 1 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.591 10.049 18710 139 1 1 . 1 1 26 26 CYS H H 26 9.403 9.403 9.220 0.183 18710 140 1 1 . 1 1 27 27 LYS N N 27 119.866 119.866 120.219 -0.353 18710 141 1 1 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.188 -0.185 18710 142 1 1 . 1 1 27 27 LYS C C 27 177.792 177.792 179.024 -1.232 18710 143 1 1 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.309 0.400 18710 144 1 1 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.570 -0.368 18710 145 1 1 . 1 1 27 27 LYS H H 27 7.652 7.652 8.460 -0.808 18710 146 1 1 . 1 1 28 28 LEU N N 28 119.921 119.921 119.581 0.340 18710 147 1 1 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.941 0.080 18710 148 1 1 . 1 1 28 28 LEU C C 28 178.369 178.369 177.650 0.719 18710 149 1 1 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.908 0.593 18710 150 1 1 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.991 0.280 18710 151 1 1 . 1 1 28 28 LEU H H 28 8.129 8.129 8.306 -0.177 18710 152 1 1 . 1 1 29 29 ASP N N 29 117.215 117.215 117.536 -0.321 18710 153 1 1 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.468 -0.085 18710 154 1 1 . 1 1 29 29 ASP C C 29 178.274 178.274 176.954 1.320 18710 155 1 1 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.052 0.024 18710 156 1 1 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.214 -0.854 18710 157 1 1 . 1 1 29 29 ASP H H 29 9.053 9.053 8.383 0.670 18710 158 1 1 . 1 1 30 30 LYS N N 30 111.912 111.912 115.731 -3.819 18710 159 1 1 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.373 0.072 18710 160 1 1 . 1 1 30 30 LYS C C 30 176.629 176.629 176.101 0.528 18710 161 1 1 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.008 -2.029 18710 162 1 1 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.478 -1.800 18710 163 1 1 . 1 1 30 30 LYS H H 30 6.601 6.601 7.557 -0.956 18710 164 1 1 . 1 1 31 31 HIS N N 31 112.584 112.584 114.775 -2.191 18710 165 1 1 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.379 0.181 18710 166 1 1 . 1 1 31 31 HIS C C 31 174.202 174.202 174.051 0.151 18710 167 1 1 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.820 -0.686 18710 168 1 1 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.083 -0.473 18710 169 1 1 . 1 1 31 31 HIS H H 31 6.937 6.937 7.651 -0.714 18710 170 1 1 . 1 1 32 32 ALA N N 32 120.390 120.390 121.939 -1.549 18710 171 1 1 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.403 -0.350 18710 172 1 1 . 1 1 32 32 ALA C C 32 175.340 175.340 176.982 -1.642 18710 173 1 1 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.898 -1.290 18710 174 1 1 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.075 -2.163 18710 175 1 1 . 1 1 32 32 ALA H H 32 7.639 7.639 8.100 -0.461 18710 176 1 1 . 1 1 33 33 ARG N N 33 116.855 116.855 117.135 -0.280 18710 177 1 1 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.640 -0.549 18710 178 1 1 . 1 1 33 33 ARG C C 33 176.630 176.630 177.629 -0.999 18710 179 1 1 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.508 -0.570 18710 180 1 1 . 1 1 33 33 ARG CB C 33 30.555 30.555 31.924 -1.369 18710 181 1 1 . 1 1 33 33 ARG H H 33 8.270 8.270 8.243 0.027 18710 182 1 1 . 1 1 34 34 SER N N 34 109.872 109.872 112.164 -2.292 18710 183 1 1 . 1 1 34 34 SER HA H 34 4.563 4.563 4.563 0.000 18710 184 1 1 . 1 1 34 34 SER C C 34 173.047 173.047 173.783 -0.736 18710 185 1 1 . 1 1 34 34 SER CA C 34 57.747 57.747 57.912 -0.165 18710 186 1 1 . 1 1 34 34 SER CB C 34 65.477 65.477 65.011 0.466 18710 187 1 1 . 1 1 34 34 SER H H 34 8.073 8.073 8.051 0.022 18710 188 1 1 . 1 1 35 35 GLY N N 35 107.697 107.697 111.299 -3.602 18710 189 1 1 . 1 1 35 35 GLY C C 35 170.741 170.741 174.357 -3.616 18710 190 1 1 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.256 0.662 18710 191 1 1 . 1 1 35 35 GLY H H 35 8.869 8.869 8.274 0.595 18710 192 1 1 . 1 1 36 36 GLU N N 36 118.971 118.971 119.557 -0.586 18710 193 1 1 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.437 -0.285 18710 194 1 1 . 1 1 36 36 GLU C C 36 173.995 173.995 176.182 -2.187 18710 195 1 1 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.401 0.090 18710 196 1 1 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.217 0.057 18710 197 1 1 . 1 1 36 36 GLU H H 36 8.226 8.226 7.817 0.409 18710 198 1 1 . 1 1 37 37 CYS N N 37 120.679 120.679 120.851 -0.172 18710 199 1 1 . 1 1 37 37 CYS HA H 37 6.114 6.114 4.918 1.196 18710 200 1 1 . 1 1 37 37 CYS C C 37 173.692 173.692 174.563 -0.871 18710 201 1 1 . 1 1 37 37 CYS CA C 37 56.316 56.316 59.025 -2.709 18710 202 1 1 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.134 17.804 18710 203 1 1 . 1 1 37 37 CYS H H 37 8.851 8.851 8.594 0.257 18710 204 1 1 . 1 1 38 38 PHE N N 38 120.484 120.484 119.578 0.906 18710 205 1 1 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.696 -0.021 18710 206 1 1 . 1 1 38 38 PHE C C 38 175.480 175.480 173.884 1.596 18710 207 1 1 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.490 0.248 18710 208 1 1 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.951 0.829 18710 209 1 1 . 1 1 38 38 PHE H H 38 9.072 9.072 8.403 0.669 18710 210 1 1 . 1 1 39 39 TYR N N 39 122.666 122.666 119.846 2.820 18710 211 1 1 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.069 -0.281 18710 212 1 1 . 1 1 39 39 TYR C C 39 176.738 176.738 175.735 1.003 18710 213 1 1 . 1 1 39 39 TYR CA C 39 58.938 58.938 57.913 1.025 18710 214 1 1 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.257 1.003 18710 215 1 1 . 1 1 39 39 TYR H H 39 9.002 9.002 8.769 0.233 18710 216 1 1 . 1 1 40 40 ASP N N 40 123.525 123.525 124.560 -1.035 18710 217 1 1 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.775 -0.087 18710 218 1 1 . 1 1 40 40 ASP C C 40 178.719 178.719 177.394 1.325 18710 219 1 1 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.336 -0.106 18710 220 1 1 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.951 -0.987 18710 221 1 1 . 1 1 40 40 ASP H H 40 8.707 8.707 8.062 0.645 18710 222 1 1 . 1 1 41 41 GLU N N 41 118.054 118.054 120.021 -1.967 18710 223 1 1 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.160 -0.011 18710 224 1 1 . 1 1 41 41 GLU C C 41 177.487 177.487 176.868 0.619 18710 225 1 1 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.236 -0.317 18710 226 1 1 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.291 -0.638 18710 227 1 1 . 1 1 41 41 GLU H H 41 9.098 9.098 8.903 0.195 18710 228 1 1 . 1 1 42 42 LYS N N 42 120.287 120.287 117.122 3.165 18710 229 1 1 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.475 -0.104 18710 230 1 1 . 1 1 42 42 LYS C C 42 175.319 175.319 175.650 -0.331 18710 231 1 1 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.587 -0.200 18710 232 1 1 . 1 1 42 42 LYS CB C 42 31.935 31.935 32.010 -0.074 18710 233 1 1 . 1 1 42 42 LYS H H 42 8.104 8.104 7.911 0.193 18710 234 1 1 . 1 1 43 43 ARG N N 43 113.150 113.150 116.933 -3.783 18710 235 1 1 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.107 -0.533 18710 236 1 1 . 1 1 43 43 ARG C C 43 174.823 174.823 174.754 0.069 18710 237 1 1 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.556 -0.437 18710 238 1 1 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.783 -3.199 18710 239 1 1 . 1 1 43 43 ARG H H 43 8.305 8.305 7.727 0.578 18710 240 1 1 . 1 1 44 44 ASN N N 44 118.284 118.284 114.722 3.562 18710 241 1 1 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.795 0.159 18710 242 1 1 . 1 1 44 44 ASN C C 44 174.806 174.806 174.939 -0.133 18710 243 1 1 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.043 0.610 18710 244 1 1 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.749 -0.668 18710 245 1 1 . 1 1 44 44 ASN H H 44 8.771 8.771 8.021 0.750 18710 246 1 1 . 1 1 45 45 LEU N N 45 126.852 126.852 123.600 3.252 18710 247 1 1 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.321 -0.281 18710 248 1 1 . 1 1 45 45 LEU C C 45 175.554 175.554 176.229 -0.675 18710 249 1 1 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.517 0.513 18710 250 1 1 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.723 2.132 18710 251 1 1 . 1 1 45 45 LEU H H 45 8.740 8.740 8.495 0.245 18710 252 1 1 . 1 1 46 46 GLN N N 46 120.892 120.892 121.406 -0.514 18710 253 1 1 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.478 0.162 18710 254 1 1 . 1 1 46 46 GLN C C 46 174.603 174.603 175.163 -0.560 18710 255 1 1 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.449 0.348 18710 256 1 1 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.425 1.975 18710 257 1 1 . 1 1 46 46 GLN H H 46 8.462 8.462 8.352 0.110 18710 258 1 1 . 1 1 47 47 CYS N N 47 122.189 122.189 124.536 -2.347 18710 259 1 1 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.262 0.492 18710 260 1 1 . 1 1 47 47 CYS C C 47 171.892 171.892 174.487 -2.595 18710 261 1 1 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.943 -4.932 18710 262 1 1 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.351 12.712 18710 263 1 1 . 1 1 47 47 CYS H H 47 9.292 9.292 8.915 0.377 18710 264 1 1 . 1 1 48 48 ILE N N 48 129.091 129.091 126.399 2.692 18710 265 1 1 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.680 -0.410 18710 266 1 1 . 1 1 48 48 ILE C C 48 175.922 175.922 175.416 0.506 18710 267 1 1 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.244 0.087 18710 268 1 1 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.587 -1.624 18710 269 1 1 . 1 1 48 48 ILE H H 48 8.724 8.724 8.971 -0.247 18710 270 1 1 . 1 1 49 49 CYS N N 49 126.727 126.727 128.556 -1.829 18710 271 1 1 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.326 0.902 18710 272 1 1 . 1 1 49 49 CYS C C 49 172.511 172.511 173.507 -0.996 18710 273 1 1 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.298 -7.708 18710 274 1 1 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.575 8.959 18710 275 1 1 . 1 1 49 49 CYS H H 49 8.457 8.457 8.840 -0.383 18710 276 1 1 . 1 1 50 50 ASP N N 50 122.574 122.574 125.643 -3.069 18710 277 1 1 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.855 0.655 18710 278 1 1 . 1 1 50 50 ASP C C 50 176.217 176.217 175.621 0.596 18710 279 1 1 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.269 -0.186 18710 280 1 1 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.808 1.062 18710 281 1 1 . 1 1 50 50 ASP H H 50 8.896 8.896 8.625 0.271 18710 282 1 1 . 1 1 51 51 TYR N N 51 125.641 125.641 124.078 1.563 18710 283 1 1 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.715 -0.599 18710 284 1 1 . 1 1 51 51 TYR C C 51 175.491 175.491 174.608 0.883 18710 285 1 1 . 1 1 51 51 TYR CA C 51 59.295 59.295 57.987 1.308 18710 286 1 1 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.784 1.756 18710 287 1 1 . 1 1 51 51 TYR H H 51 9.819 9.819 7.691 2.128 18710 288 1 1 . 1 1 52 52 CYS N N 52 121.040 121.040 117.533 3.507 18710 289 1 1 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.576 -0.204 18710 290 1 1 . 1 1 52 52 CYS C C 52 173.129 173.129 173.871 -0.742 18710 291 1 1 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.382 -3.357 18710 292 1 1 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.534 13.707 18710 293 1 1 . 1 1 52 52 CYS H H 52 9.700 9.700 7.733 1.967 18710 294 1 1 . 1 1 53 53 GLU N N 53 121.628 121.628 121.639 -0.011 18710 295 1 1 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.362 -0.097 18710 296 1 1 . 1 1 53 53 GLU C C 53 174.253 174.253 175.930 -1.677 18710 297 1 1 . 1 1 53 53 GLU CA C 53 55.200 55.200 55.888 -0.688 18710 298 1 1 . 1 1 53 53 GLU CB C 53 31.198 31.198 27.888 3.310 18710 299 1 1 . 1 1 53 53 GLU H H 53 8.466 8.466 8.665 -0.199 18710 300 1 2 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.114 0.132 18710 301 1 2 . 1 1 3 3 LYS C C 3 176.970 176.970 177.603 -0.633 18710 302 1 2 . 1 1 3 3 LYS CA C 3 57.314 57.314 58.754 -1.440 18710 303 1 2 . 1 1 3 3 LYS CB C 3 32.511 32.511 31.815 0.696 18710 304 1 2 . 1 1 4 4 CYS N N 4 117.663 117.663 114.860 2.803 18710 305 1 2 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.416 0.198 18710 306 1 2 . 1 1 4 4 CYS C C 4 174.336 174.336 175.467 -1.131 18710 307 1 2 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.209 -1.928 18710 308 1 2 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.198 15.131 18710 309 1 2 . 1 1 4 4 CYS H H 4 8.552 8.552 8.314 0.238 18710 310 1 2 . 1 1 5 5 LYS N N 5 118.468 118.468 121.019 -2.551 18710 311 1 2 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.696 0.823 18710 312 1 2 . 1 1 5 5 LYS C C 5 176.806 176.806 175.811 0.995 18710 313 1 2 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.136 -0.381 18710 314 1 2 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.166 3.382 18710 315 1 2 . 1 1 5 5 LYS H H 5 8.067 8.067 7.577 0.490 18710 316 1 2 . 1 1 6 6 LYS N N 6 121.028 121.028 125.035 -4.007 18710 317 1 2 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.656 0.060 18710 318 1 2 . 1 1 6 6 LYS C C 6 176.149 176.149 174.491 1.658 18710 319 1 2 . 1 1 6 6 LYS CA C 6 55.267 55.267 54.998 0.269 18710 320 1 2 . 1 1 6 6 LYS CB C 6 36.779 36.779 36.102 0.677 18710 321 1 2 . 1 1 6 6 LYS H H 6 9.043 9.043 8.832 0.211 18710 322 1 2 . 1 1 7 7 VAL N N 7 128.686 128.686 123.319 5.367 18710 323 1 2 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.334 -0.437 18710 324 1 2 . 1 1 7 7 VAL C C 7 175.013 175.013 174.834 0.179 18710 325 1 2 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.422 3.394 18710 326 1 2 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.394 -0.252 18710 327 1 2 . 1 1 7 7 VAL H H 7 8.991 8.991 8.557 0.434 18710 328 1 2 . 1 1 8 8 TYR N N 8 129.909 129.909 125.698 4.211 18710 329 1 2 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.903 -0.532 18710 330 1 2 . 1 1 8 8 TYR C C 8 175.018 175.018 174.469 0.549 18710 331 1 2 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.703 -1.317 18710 332 1 2 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.488 -3.668 18710 333 1 2 . 1 1 8 8 TYR H H 8 9.265 9.265 7.926 1.339 18710 334 1 2 . 1 1 9 9 GLU N N 9 131.262 131.262 125.078 6.184 18710 335 1 2 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.829 0.282 18710 336 1 2 . 1 1 9 9 GLU C C 9 177.071 177.071 177.202 -0.131 18710 337 1 2 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.432 0.727 18710 338 1 2 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.895 -0.808 18710 339 1 2 . 1 1 9 9 GLU H H 9 9.217 9.217 8.674 0.543 18710 340 1 2 . 1 1 10 10 ASN N N 10 115.995 115.995 115.477 0.518 18710 341 1 2 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.466 -0.112 18710 342 1 2 . 1 1 10 10 ASN C C 10 174.465 174.465 174.619 -0.154 18710 343 1 2 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.349 -0.848 18710 344 1 2 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.678 -0.606 18710 345 1 2 . 1 1 10 10 ASN H H 10 9.445 9.445 8.520 0.925 18710 346 1 2 . 1 1 11 11 TYR N N 11 122.981 122.981 118.942 4.039 18710 347 1 2 . 1 1 11 11 TYR HA H 11 4.108 4.108 5.017 -0.909 18710 348 1 2 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.368 3.027 18710 349 1 2 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.353 0.947 18710 350 1 2 . 1 1 11 11 TYR H H 11 7.533 7.533 8.052 -0.519 18710 351 1 2 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.154 0.254 18710 352 1 2 . 1 1 12 12 PRO C C 12 176.771 176.771 177.743 -0.972 18710 353 1 2 . 1 1 12 12 PRO CA C 12 62.008 62.008 61.865 0.143 18710 354 1 2 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.611 -2.293 18710 355 1 2 . 1 1 13 13 VAL N N 13 124.171 124.171 119.566 4.605 18710 356 1 2 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.810 -0.026 18710 357 1 2 . 1 1 13 13 VAL C C 13 178.748 178.748 177.641 1.107 18710 358 1 2 . 1 1 13 13 VAL CA C 13 65.650 65.650 65.050 0.600 18710 359 1 2 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.771 -0.306 18710 360 1 2 . 1 1 13 13 VAL H H 13 8.195 8.195 8.276 -0.081 18710 361 1 2 . 1 1 14 14 SER N N 14 118.320 118.320 114.695 3.625 18710 362 1 2 . 1 1 14 14 SER HA H 14 4.092 4.092 4.153 -0.061 18710 363 1 2 . 1 1 14 14 SER C C 14 177.862 177.862 176.728 1.134 18710 364 1 2 . 1 1 14 14 SER CA C 14 61.300 61.300 61.643 -0.343 18710 365 1 2 . 1 1 14 14 SER CB C 14 61.302 61.302 62.771 -1.469 18710 366 1 2 . 1 1 14 14 SER H H 14 8.577 8.577 8.272 0.305 18710 367 1 2 . 1 1 15 15 LYS N N 15 121.997 121.997 119.045 2.952 18710 368 1 2 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.316 -0.313 18710 369 1 2 . 1 1 15 15 LYS C C 15 178.744 178.744 177.922 0.822 18710 370 1 2 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.530 1.180 18710 371 1 2 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.616 -1.229 18710 372 1 2 . 1 1 15 15 LYS H H 15 7.886 7.886 7.699 0.187 18710 373 1 2 . 1 1 16 16 CYS N N 16 115.824 115.824 119.940 -4.116 18710 374 1 2 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.427 0.273 18710 375 1 2 . 1 1 16 16 CYS C C 16 175.843 175.843 176.286 -0.443 18710 376 1 2 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.483 -2.431 18710 377 1 2 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.441 14.972 18710 378 1 2 . 1 1 16 16 CYS H H 16 7.848 7.848 8.200 -0.352 18710 379 1 2 . 1 1 17 17 GLN N N 17 115.165 115.165 117.563 -2.398 18710 380 1 2 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.078 0.074 18710 381 1 2 . 1 1 17 17 GLN C C 17 175.310 175.310 176.472 -1.162 18710 382 1 2 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.648 -1.399 18710 383 1 2 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.805 -0.149 18710 384 1 2 . 1 1 17 17 GLN H H 17 7.398 7.398 7.928 -0.530 18710 385 1 2 . 1 1 18 18 LEU N N 18 121.702 121.702 119.509 2.193 18710 386 1 2 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.586 -0.103 18710 387 1 2 . 1 1 18 18 LEU C C 18 176.211 176.211 176.457 -0.246 18710 388 1 2 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.361 0.008 18710 389 1 2 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.994 -0.816 18710 390 1 2 . 1 1 18 18 LEU H H 18 7.354 7.354 8.046 -0.692 18710 391 1 2 . 1 1 19 19 ALA N N 19 128.501 128.501 128.116 0.385 18710 392 1 2 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.922 0.153 18710 393 1 2 . 1 1 19 19 ALA C C 19 179.107 179.107 177.842 1.265 18710 394 1 2 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.742 -0.844 18710 395 1 2 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.766 -0.767 18710 396 1 2 . 1 1 19 19 ALA H H 19 8.735 8.735 8.894 -0.159 18710 397 1 2 . 1 1 20 20 ASN N N 20 116.786 116.786 114.344 2.442 18710 398 1 2 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.629 -0.051 18710 399 1 2 . 1 1 20 20 ASN C C 20 174.900 174.900 177.244 -2.344 18710 400 1 2 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.896 0.242 18710 401 1 2 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.977 1.347 18710 402 1 2 . 1 1 20 20 ASN H H 20 9.284 9.284 7.912 1.371 18710 403 1 2 . 1 1 21 21 GLN N N 21 123.178 123.178 121.424 1.754 18710 404 1 2 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.095 -0.318 18710 405 1 2 . 1 1 21 21 GLN C C 21 176.327 176.327 177.391 -1.064 18710 406 1 2 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.685 0.784 18710 407 1 2 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.766 0.672 18710 408 1 2 . 1 1 21 21 GLN H H 21 7.696 7.696 8.545 -0.849 18710 409 1 2 . 1 1 22 22 CYS N N 22 119.327 119.327 118.671 0.656 18710 410 1 2 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.292 -0.038 18710 411 1 2 . 1 1 22 22 CYS C C 22 175.955 175.955 177.288 -1.333 18710 412 1 2 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.184 -4.792 18710 413 1 2 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.122 12.452 18710 414 1 2 . 1 1 22 22 CYS H H 22 8.495 8.495 7.861 0.634 18710 415 1 2 . 1 1 23 23 ASN N N 23 119.489 119.489 117.797 1.692 18710 416 1 2 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.412 -0.647 18710 417 1 2 . 1 1 23 23 ASN C C 23 175.773 175.773 177.644 -1.871 18710 418 1 2 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.371 1.494 18710 419 1 2 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.372 1.889 18710 420 1 2 . 1 1 23 23 ASN H H 23 8.224 8.224 8.200 0.024 18710 421 1 2 . 1 1 24 24 TYR N N 24 118.459 118.459 120.973 -2.514 18710 422 1 2 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.121 -0.295 18710 423 1 2 . 1 1 24 24 TYR C C 24 178.310 178.310 178.237 0.073 18710 424 1 2 . 1 1 24 24 TYR CA C 24 61.740 61.740 61.984 -0.244 18710 425 1 2 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.045 0.525 18710 426 1 2 . 1 1 24 24 TYR H H 24 8.296 8.296 7.785 0.511 18710 427 1 2 . 1 1 25 25 ASP N N 25 119.944 119.944 119.637 0.307 18710 428 1 2 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.428 0.176 18710 429 1 2 . 1 1 25 25 ASP C C 25 179.719 179.719 179.122 0.597 18710 430 1 2 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.308 0.296 18710 431 1 2 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.223 0.161 18710 432 1 2 . 1 1 25 25 ASP H H 25 9.105 9.105 8.502 0.603 18710 433 1 2 . 1 1 26 26 CYS N N 26 120.503 120.503 119.461 1.042 18710 434 1 2 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.508 -0.431 18710 435 1 2 . 1 1 26 26 CYS C C 26 177.789 177.789 177.909 -0.120 18710 436 1 2 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.503 -1.975 18710 437 1 2 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.589 10.051 18710 438 1 2 . 1 1 26 26 CYS H H 26 9.403 9.403 9.209 0.194 18710 439 1 2 . 1 1 27 27 LYS N N 27 119.866 119.866 120.160 -0.294 18710 440 1 2 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.169 -0.166 18710 441 1 2 . 1 1 27 27 LYS C C 27 177.792 177.792 179.013 -1.221 18710 442 1 2 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.296 0.414 18710 443 1 2 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.559 -0.357 18710 444 1 2 . 1 1 27 27 LYS H H 27 7.652 7.652 8.430 -0.778 18710 445 1 2 . 1 1 28 28 LEU N N 28 119.921 119.921 119.612 0.309 18710 446 1 2 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.934 0.087 18710 447 1 2 . 1 1 28 28 LEU C C 28 178.369 178.369 177.642 0.727 18710 448 1 2 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.908 0.593 18710 449 1 2 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.986 0.285 18710 450 1 2 . 1 1 28 28 LEU H H 28 8.129 8.129 8.289 -0.160 18710 451 1 2 . 1 1 29 29 ASP N N 29 117.215 117.215 117.548 -0.333 18710 452 1 2 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.463 -0.080 18710 453 1 2 . 1 1 29 29 ASP C C 29 178.274 178.274 176.982 1.292 18710 454 1 2 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.065 0.011 18710 455 1 2 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.207 -0.847 18710 456 1 2 . 1 1 29 29 ASP H H 29 9.053 9.053 8.397 0.656 18710 457 1 2 . 1 1 30 30 LYS N N 30 111.912 111.912 115.252 -3.340 18710 458 1 2 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.418 0.027 18710 459 1 2 . 1 1 30 30 LYS C C 30 176.629 176.629 176.266 0.363 18710 460 1 2 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.881 -1.902 18710 461 1 2 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.558 -1.880 18710 462 1 2 . 1 1 30 30 LYS H H 30 6.601 6.601 7.537 -0.936 18710 463 1 2 . 1 1 31 31 HIS N N 31 112.584 112.584 115.342 -2.758 18710 464 1 2 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.370 0.190 18710 465 1 2 . 1 1 31 31 HIS C C 31 174.202 174.202 173.866 0.336 18710 466 1 2 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.780 -0.646 18710 467 1 2 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.166 -0.556 18710 468 1 2 . 1 1 31 31 HIS H H 31 6.937 6.937 7.705 -0.768 18710 469 1 2 . 1 1 32 32 ALA N N 32 120.390 120.390 122.112 -1.722 18710 470 1 2 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.356 -0.303 18710 471 1 2 . 1 1 32 32 ALA C C 32 175.340 175.340 176.949 -1.609 18710 472 1 2 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.800 -1.192 18710 473 1 2 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.036 -2.124 18710 474 1 2 . 1 1 32 32 ALA H H 32 7.639 7.639 8.062 -0.423 18710 475 1 2 . 1 1 33 33 ARG N N 33 116.855 116.855 117.519 -0.664 18710 476 1 2 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.576 -0.485 18710 477 1 2 . 1 1 33 33 ARG C C 33 176.630 176.630 177.370 -0.740 18710 478 1 2 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.074 -0.136 18710 479 1 2 . 1 1 33 33 ARG CB C 33 30.555 30.555 31.819 -1.264 18710 480 1 2 . 1 1 33 33 ARG H H 33 8.270 8.270 8.223 0.047 18710 481 1 2 . 1 1 34 34 SER N N 34 109.872 109.872 112.289 -2.417 18710 482 1 2 . 1 1 34 34 SER HA H 34 4.563 4.563 4.578 -0.015 18710 483 1 2 . 1 1 34 34 SER C C 34 173.047 173.047 173.997 -0.950 18710 484 1 2 . 1 1 34 34 SER CA C 34 57.747 57.747 57.529 0.218 18710 485 1 2 . 1 1 34 34 SER CB C 34 65.477 65.477 64.749 0.728 18710 486 1 2 . 1 1 34 34 SER H H 34 8.073 8.073 8.042 0.031 18710 487 1 2 . 1 1 35 35 GLY N N 35 107.697 107.697 111.663 -3.966 18710 488 1 2 . 1 1 35 35 GLY C C 35 170.741 170.741 174.499 -3.758 18710 489 1 2 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.315 0.603 18710 490 1 2 . 1 1 35 35 GLY H H 35 8.869 8.869 8.343 0.526 18710 491 1 2 . 1 1 36 36 GLU N N 36 118.971 118.971 119.420 -0.449 18710 492 1 2 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.415 -0.263 18710 493 1 2 . 1 1 36 36 GLU C C 36 173.995 173.995 176.152 -2.157 18710 494 1 2 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.720 -0.229 18710 495 1 2 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.005 0.269 18710 496 1 2 . 1 1 36 36 GLU H H 36 8.226 8.226 7.991 0.235 18710 497 1 2 . 1 1 37 37 CYS N N 37 120.679 120.679 120.676 0.003 18710 498 1 2 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.148 0.966 18710 499 1 2 . 1 1 37 37 CYS C C 37 173.692 173.692 174.462 -0.770 18710 500 1 2 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.561 -2.245 18710 501 1 2 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.531 17.407 18710 502 1 2 . 1 1 37 37 CYS H H 37 8.851 8.851 8.550 0.301 18710 503 1 2 . 1 1 38 38 PHE N N 38 120.484 120.484 119.597 0.887 18710 504 1 2 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.723 -0.048 18710 505 1 2 . 1 1 38 38 PHE C C 38 175.480 175.480 173.959 1.521 18710 506 1 2 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.516 0.222 18710 507 1 2 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.905 0.875 18710 508 1 2 . 1 1 38 38 PHE H H 38 9.072 9.072 8.345 0.727 18710 509 1 2 . 1 1 39 39 TYR N N 39 122.666 122.666 119.964 2.702 18710 510 1 2 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.037 -0.249 18710 511 1 2 . 1 1 39 39 TYR C C 39 176.738 176.738 175.827 0.911 18710 512 1 2 . 1 1 39 39 TYR CA C 39 58.938 58.938 58.138 0.800 18710 513 1 2 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.163 1.097 18710 514 1 2 . 1 1 39 39 TYR H H 39 9.002 9.002 8.791 0.211 18710 515 1 2 . 1 1 40 40 ASP N N 40 123.525 123.525 123.673 -0.148 18710 516 1 2 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.820 -0.132 18710 517 1 2 . 1 1 40 40 ASP C C 40 178.719 178.719 177.289 1.430 18710 518 1 2 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.300 -0.070 18710 519 1 2 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.988 -1.024 18710 520 1 2 . 1 1 40 40 ASP H H 40 8.707 8.707 8.034 0.673 18710 521 1 2 . 1 1 41 41 GLU N N 41 118.054 118.054 120.284 -2.230 18710 522 1 2 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.171 -0.022 18710 523 1 2 . 1 1 41 41 GLU C C 41 177.487 177.487 176.805 0.682 18710 524 1 2 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.245 -0.325 18710 525 1 2 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.654 -1.001 18710 526 1 2 . 1 1 41 41 GLU H H 41 9.098 9.098 8.929 0.169 18710 527 1 2 . 1 1 42 42 LYS N N 42 120.287 120.287 117.176 3.111 18710 528 1 2 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.463 -0.092 18710 529 1 2 . 1 1 42 42 LYS C C 42 175.319 175.319 175.640 -0.321 18710 530 1 2 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.625 -0.238 18710 531 1 2 . 1 1 42 42 LYS CB C 42 31.935 31.935 31.925 0.010 18710 532 1 2 . 1 1 42 42 LYS H H 42 8.104 8.104 7.981 0.123 18710 533 1 2 . 1 1 43 43 ARG N N 43 113.150 113.150 116.197 -3.047 18710 534 1 2 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.150 -0.576 18710 535 1 2 . 1 1 43 43 ARG C C 43 174.823 174.823 174.677 0.146 18710 536 1 2 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.112 0.007 18710 537 1 2 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.458 -2.874 18710 538 1 2 . 1 1 43 43 ARG H H 43 8.305 8.305 7.721 0.584 18710 539 1 2 . 1 1 44 44 ASN N N 44 118.284 118.284 115.481 2.803 18710 540 1 2 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.777 0.177 18710 541 1 2 . 1 1 44 44 ASN C C 44 174.806 174.806 174.877 -0.071 18710 542 1 2 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.036 0.617 18710 543 1 2 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.424 -0.343 18710 544 1 2 . 1 1 44 44 ASN H H 44 8.771 8.771 7.828 0.943 18710 545 1 2 . 1 1 45 45 LEU N N 45 126.852 126.852 123.365 3.487 18710 546 1 2 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.329 -0.289 18710 547 1 2 . 1 1 45 45 LEU C C 45 175.554 175.554 176.233 -0.679 18710 548 1 2 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.529 0.501 18710 549 1 2 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.935 1.920 18710 550 1 2 . 1 1 45 45 LEU H H 45 8.740 8.740 8.489 0.251 18710 551 1 2 . 1 1 46 46 GLN N N 46 120.892 120.892 121.424 -0.532 18710 552 1 2 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.492 0.148 18710 553 1 2 . 1 1 46 46 GLN C C 46 174.603 174.603 175.096 -0.493 18710 554 1 2 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.440 0.357 18710 555 1 2 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.429 1.971 18710 556 1 2 . 1 1 46 46 GLN H H 46 8.462 8.462 8.278 0.184 18710 557 1 2 . 1 1 47 47 CYS N N 47 122.189 122.189 124.531 -2.342 18710 558 1 2 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.257 0.497 18710 559 1 2 . 1 1 47 47 CYS C C 47 171.892 171.892 174.475 -2.583 18710 560 1 2 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.971 -4.960 18710 561 1 2 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.379 12.684 18710 562 1 2 . 1 1 47 47 CYS H H 47 9.292 9.292 8.922 0.370 18710 563 1 2 . 1 1 48 48 ILE N N 48 129.091 129.091 126.392 2.699 18710 564 1 2 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.699 -0.429 18710 565 1 2 . 1 1 48 48 ILE C C 48 175.922 175.922 175.405 0.517 18710 566 1 2 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.231 0.100 18710 567 1 2 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.627 -1.664 18710 568 1 2 . 1 1 48 48 ILE H H 48 8.724 8.724 9.021 -0.297 18710 569 1 2 . 1 1 49 49 CYS N N 49 126.727 126.727 128.540 -1.813 18710 570 1 2 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.305 0.923 18710 571 1 2 . 1 1 49 49 CYS C C 49 172.511 172.511 173.510 -0.999 18710 572 1 2 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.364 -7.774 18710 573 1 2 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.743 8.791 18710 574 1 2 . 1 1 49 49 CYS H H 49 8.457 8.457 8.843 -0.386 18710 575 1 2 . 1 1 50 50 ASP N N 50 122.574 122.574 125.413 -2.839 18710 576 1 2 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.759 0.751 18710 577 1 2 . 1 1 50 50 ASP C C 50 176.217 176.217 175.438 0.779 18710 578 1 2 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.395 -0.312 18710 579 1 2 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.721 1.149 18710 580 1 2 . 1 1 50 50 ASP H H 50 8.896 8.896 8.581 0.315 18710 581 1 2 . 1 1 51 51 TYR N N 51 125.641 125.641 123.670 1.971 18710 582 1 2 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.649 -0.533 18710 583 1 2 . 1 1 51 51 TYR C C 51 175.491 175.491 174.783 0.708 18710 584 1 2 . 1 1 51 51 TYR CA C 51 59.295 59.295 57.632 1.663 18710 585 1 2 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.788 1.752 18710 586 1 2 . 1 1 51 51 TYR H H 51 9.819 9.819 7.597 2.222 18710 587 1 2 . 1 1 52 52 CYS N N 52 121.040 121.040 118.668 2.372 18710 588 1 2 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.514 -0.142 18710 589 1 2 . 1 1 52 52 CYS C C 52 173.129 173.129 173.756 -0.627 18710 590 1 2 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.694 -3.669 18710 591 1 2 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.411 13.830 18710 592 1 2 . 1 1 52 52 CYS H H 52 9.700 9.700 7.566 2.134 18710 593 1 2 . 1 1 53 53 GLU N N 53 121.628 121.628 122.584 -0.956 18710 594 1 2 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.551 -0.286 18710 595 1 2 . 1 1 53 53 GLU C C 53 174.253 174.253 175.973 -1.720 18710 596 1 2 . 1 1 53 53 GLU CA C 53 55.200 55.200 56.205 -1.005 18710 597 1 2 . 1 1 53 53 GLU CB C 53 31.198 31.198 28.233 2.965 18710 598 1 2 . 1 1 53 53 GLU H H 53 8.466 8.466 8.678 -0.212 18710 599 1 3 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.356 -0.110 18710 600 1 3 . 1 1 3 3 LYS C C 3 176.970 176.970 176.768 0.202 18710 601 1 3 . 1 1 3 3 LYS CA C 3 57.314 57.314 57.172 0.142 18710 602 1 3 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.462 0.049 18710 603 1 3 . 1 1 4 4 CYS N N 4 117.663 117.663 116.386 1.277 18710 604 1 3 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.391 0.223 18710 605 1 3 . 1 1 4 4 CYS C C 4 174.336 174.336 175.584 -1.248 18710 606 1 3 . 1 1 4 4 CYS CA C 4 57.281 57.281 58.900 -1.619 18710 607 1 3 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.275 15.054 18710 608 1 3 . 1 1 4 4 CYS H H 4 8.552 8.552 8.200 0.352 18710 609 1 3 . 1 1 5 5 LYS N N 5 118.468 118.468 120.954 -2.486 18710 610 1 3 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.507 1.012 18710 611 1 3 . 1 1 5 5 LYS C C 5 176.806 176.806 175.872 0.934 18710 612 1 3 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.264 -0.509 18710 613 1 3 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.082 3.466 18710 614 1 3 . 1 1 5 5 LYS H H 5 8.067 8.067 7.441 0.626 18710 615 1 3 . 1 1 6 6 LYS N N 6 121.028 121.028 125.906 -4.878 18710 616 1 3 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.580 0.136 18710 617 1 3 . 1 1 6 6 LYS C C 6 176.149 176.149 174.433 1.716 18710 618 1 3 . 1 1 6 6 LYS CA C 6 55.267 55.267 55.217 0.050 18710 619 1 3 . 1 1 6 6 LYS CB C 6 36.779 36.779 35.992 0.787 18710 620 1 3 . 1 1 6 6 LYS H H 6 9.043 9.043 8.646 0.397 18710 621 1 3 . 1 1 7 7 VAL N N 7 128.686 128.686 123.214 5.472 18710 622 1 3 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.244 -0.347 18710 623 1 3 . 1 1 7 7 VAL C C 7 175.013 175.013 174.995 0.018 18710 624 1 3 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.837 2.979 18710 625 1 3 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.598 -0.456 18710 626 1 3 . 1 1 7 7 VAL H H 7 8.991 8.991 8.454 0.537 18710 627 1 3 . 1 1 8 8 TYR N N 8 129.909 129.909 126.500 3.409 18710 628 1 3 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.876 -0.505 18710 629 1 3 . 1 1 8 8 TYR C C 8 175.018 175.018 174.441 0.577 18710 630 1 3 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.704 -1.317 18710 631 1 3 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.774 -3.954 18710 632 1 3 . 1 1 8 8 TYR H H 8 9.265 9.265 7.915 1.350 18710 633 1 3 . 1 1 9 9 GLU N N 9 131.262 131.262 125.133 6.129 18710 634 1 3 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.816 0.295 18710 635 1 3 . 1 1 9 9 GLU C C 9 177.071 177.071 177.089 -0.018 18710 636 1 3 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.378 0.781 18710 637 1 3 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.882 -0.794 18710 638 1 3 . 1 1 9 9 GLU H H 9 9.217 9.217 8.654 0.563 18710 639 1 3 . 1 1 10 10 ASN N N 10 115.995 115.995 115.498 0.497 18710 640 1 3 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.450 -0.096 18710 641 1 3 . 1 1 10 10 ASN C C 10 174.465 174.465 174.552 -0.087 18710 642 1 3 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.319 -0.818 18710 643 1 3 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.668 -0.596 18710 644 1 3 . 1 1 10 10 ASN H H 10 9.445 9.445 8.483 0.962 18710 645 1 3 . 1 1 11 11 TYR N N 11 122.981 122.981 118.514 4.467 18710 646 1 3 . 1 1 11 11 TYR HA H 11 4.108 4.108 5.013 -0.905 18710 647 1 3 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.266 3.129 18710 648 1 3 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.238 1.062 18710 649 1 3 . 1 1 11 11 TYR H H 11 7.533 7.533 7.815 -0.282 18710 650 1 3 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.175 0.233 18710 651 1 3 . 1 1 12 12 PRO C C 12 176.771 176.771 177.814 -1.043 18710 652 1 3 . 1 1 12 12 PRO CA C 12 62.008 62.008 61.918 0.090 18710 653 1 3 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.611 -2.293 18710 654 1 3 . 1 1 13 13 VAL N N 13 124.171 124.171 119.218 4.953 18710 655 1 3 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.790 -0.006 18710 656 1 3 . 1 1 13 13 VAL C C 13 178.748 178.748 177.681 1.067 18710 657 1 3 . 1 1 13 13 VAL CA C 13 65.650 65.650 65.130 0.520 18710 658 1 3 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.828 -0.363 18710 659 1 3 . 1 1 13 13 VAL H H 13 8.195 8.195 8.354 -0.159 18710 660 1 3 . 1 1 14 14 SER N N 14 118.320 118.320 115.670 2.650 18710 661 1 3 . 1 1 14 14 SER HA H 14 4.092 4.092 4.192 -0.100 18710 662 1 3 . 1 1 14 14 SER C C 14 177.862 177.862 176.639 1.223 18710 663 1 3 . 1 1 14 14 SER CA C 14 61.300 61.300 61.452 -0.152 18710 664 1 3 . 1 1 14 14 SER CB C 14 61.302 61.302 62.985 -1.683 18710 665 1 3 . 1 1 14 14 SER H H 14 8.577 8.577 8.231 0.346 18710 666 1 3 . 1 1 15 15 LYS N N 15 121.997 121.997 119.125 2.872 18710 667 1 3 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.318 -0.315 18710 668 1 3 . 1 1 15 15 LYS C C 15 178.744 178.744 178.068 0.676 18710 669 1 3 . 1 1 15 15 LYS CA C 15 59.710 59.710 57.996 1.714 18710 670 1 3 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.176 -0.789 18710 671 1 3 . 1 1 15 15 LYS H H 15 7.886 7.886 7.856 0.030 18710 672 1 3 . 1 1 16 16 CYS N N 16 115.824 115.824 119.983 -4.159 18710 673 1 3 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.464 0.236 18710 674 1 3 . 1 1 16 16 CYS C C 16 175.843 175.843 176.416 -0.573 18710 675 1 3 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.458 -2.406 18710 676 1 3 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.470 14.943 18710 677 1 3 . 1 1 16 16 CYS H H 16 7.848 7.848 8.151 -0.303 18710 678 1 3 . 1 1 17 17 GLN N N 17 115.165 115.165 117.666 -2.501 18710 679 1 3 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.078 0.074 18710 680 1 3 . 1 1 17 17 GLN C C 17 175.310 175.310 176.533 -1.223 18710 681 1 3 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.722 -1.473 18710 682 1 3 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.856 -0.200 18710 683 1 3 . 1 1 17 17 GLN H H 17 7.398 7.398 7.899 -0.501 18710 684 1 3 . 1 1 18 18 LEU N N 18 121.702 121.702 119.659 2.043 18710 685 1 3 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.574 -0.091 18710 686 1 3 . 1 1 18 18 LEU C C 18 176.211 176.211 176.289 -0.078 18710 687 1 3 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.283 0.086 18710 688 1 3 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.630 -0.452 18710 689 1 3 . 1 1 18 18 LEU H H 18 7.354 7.354 8.045 -0.691 18710 690 1 3 . 1 1 19 19 ALA N N 19 128.501 128.501 128.034 0.467 18710 691 1 3 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.870 0.205 18710 692 1 3 . 1 1 19 19 ALA C C 19 179.107 179.107 177.911 1.196 18710 693 1 3 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.777 -0.879 18710 694 1 3 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.700 -0.701 18710 695 1 3 . 1 1 19 19 ALA H H 19 8.735 8.735 8.912 -0.176 18710 696 1 3 . 1 1 20 20 ASN N N 20 116.786 116.786 114.187 2.599 18710 697 1 3 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.539 0.039 18710 698 1 3 . 1 1 20 20 ASN C C 20 174.900 174.900 176.900 -2.000 18710 699 1 3 . 1 1 20 20 ASN CA C 20 55.138 55.138 55.137 0.001 18710 700 1 3 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.831 1.492 18710 701 1 3 . 1 1 20 20 ASN H H 20 9.284 9.284 8.036 1.248 18710 702 1 3 . 1 1 21 21 GLN N N 21 123.178 123.178 121.442 1.736 18710 703 1 3 . 1 1 21 21 GLN HA H 21 3.777 3.777 3.983 -0.206 18710 704 1 3 . 1 1 21 21 GLN C C 21 176.327 176.327 177.688 -1.361 18710 705 1 3 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.794 0.675 18710 706 1 3 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.370 1.068 18710 707 1 3 . 1 1 21 21 GLN H H 21 7.696 7.696 8.601 -0.905 18710 708 1 3 . 1 1 22 22 CYS N N 22 119.327 119.327 118.040 1.287 18710 709 1 3 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.270 -0.016 18710 710 1 3 . 1 1 22 22 CYS C C 22 175.955 175.955 177.277 -1.322 18710 711 1 3 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.131 -4.739 18710 712 1 3 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.092 12.482 18710 713 1 3 . 1 1 22 22 CYS H H 22 8.495 8.495 7.847 0.648 18710 714 1 3 . 1 1 23 23 ASN N N 23 119.489 119.489 118.022 1.467 18710 715 1 3 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.408 -0.643 18710 716 1 3 . 1 1 23 23 ASN C C 23 175.773 175.773 177.688 -1.915 18710 717 1 3 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.296 1.569 18710 718 1 3 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.412 1.849 18710 719 1 3 . 1 1 23 23 ASN H H 23 8.224 8.224 8.119 0.105 18710 720 1 3 . 1 1 24 24 TYR N N 24 118.459 118.459 121.038 -2.579 18710 721 1 3 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.103 -0.277 18710 722 1 3 . 1 1 24 24 TYR C C 24 178.310 178.310 178.292 0.018 18710 723 1 3 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.082 -0.342 18710 724 1 3 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.044 0.527 18710 725 1 3 . 1 1 24 24 TYR H H 24 8.296 8.296 8.095 0.201 18710 726 1 3 . 1 1 25 25 ASP N N 25 119.944 119.944 119.550 0.394 18710 727 1 3 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.436 0.168 18710 728 1 3 . 1 1 25 25 ASP C C 25 179.719 179.719 179.097 0.622 18710 729 1 3 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.355 0.249 18710 730 1 3 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.310 0.074 18710 731 1 3 . 1 1 25 25 ASP H H 25 9.105 9.105 8.589 0.516 18710 732 1 3 . 1 1 26 26 CYS N N 26 120.503 120.503 119.496 1.007 18710 733 1 3 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.478 -0.401 18710 734 1 3 . 1 1 26 26 CYS C C 26 177.789 177.789 177.918 -0.129 18710 735 1 3 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.531 -2.003 18710 736 1 3 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.597 10.043 18710 737 1 3 . 1 1 26 26 CYS H H 26 9.403 9.403 9.204 0.199 18710 738 1 3 . 1 1 27 27 LYS N N 27 119.866 119.866 120.168 -0.302 18710 739 1 3 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.175 -0.172 18710 740 1 3 . 1 1 27 27 LYS C C 27 177.792 177.792 179.031 -1.239 18710 741 1 3 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.297 0.413 18710 742 1 3 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.559 -0.357 18710 743 1 3 . 1 1 27 27 LYS H H 27 7.652 7.652 8.437 -0.785 18710 744 1 3 . 1 1 28 28 LEU N N 28 119.921 119.921 119.615 0.306 18710 745 1 3 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.942 0.079 18710 746 1 3 . 1 1 28 28 LEU C C 28 178.369 178.369 177.626 0.743 18710 747 1 3 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.942 0.559 18710 748 1 3 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.981 0.290 18710 749 1 3 . 1 1 28 28 LEU H H 28 8.129 8.129 8.324 -0.195 18710 750 1 3 . 1 1 29 29 ASP N N 29 117.215 117.215 117.519 -0.304 18710 751 1 3 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.485 -0.102 18710 752 1 3 . 1 1 29 29 ASP C C 29 178.274 178.274 176.944 1.330 18710 753 1 3 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.008 0.068 18710 754 1 3 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.298 -0.938 18710 755 1 3 . 1 1 29 29 ASP H H 29 9.053 9.053 8.377 0.676 18710 756 1 3 . 1 1 30 30 LYS N N 30 111.912 111.912 115.381 -3.469 18710 757 1 3 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.404 0.041 18710 758 1 3 . 1 1 30 30 LYS C C 30 176.629 176.629 176.312 0.317 18710 759 1 3 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.873 -1.894 18710 760 1 3 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.416 -1.738 18710 761 1 3 . 1 1 30 30 LYS H H 30 6.601 6.601 7.641 -1.040 18710 762 1 3 . 1 1 31 31 HIS N N 31 112.584 112.584 115.119 -2.535 18710 763 1 3 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.374 0.186 18710 764 1 3 . 1 1 31 31 HIS C C 31 174.202 174.202 173.926 0.276 18710 765 1 3 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.771 -0.637 18710 766 1 3 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.178 -0.568 18710 767 1 3 . 1 1 31 31 HIS H H 31 6.937 6.937 7.671 -0.734 18710 768 1 3 . 1 1 32 32 ALA N N 32 120.390 120.390 121.888 -1.498 18710 769 1 3 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.279 -0.226 18710 770 1 3 . 1 1 32 32 ALA C C 32 175.340 175.340 176.963 -1.623 18710 771 1 3 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.879 -1.271 18710 772 1 3 . 1 1 32 32 ALA CB C 32 18.912 18.912 20.925 -2.014 18710 773 1 3 . 1 1 32 32 ALA H H 32 7.639 7.639 8.085 -0.446 18710 774 1 3 . 1 1 33 33 ARG N N 33 116.855 116.855 117.355 -0.500 18710 775 1 3 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.567 -0.476 18710 776 1 3 . 1 1 33 33 ARG C C 33 176.630 176.630 177.423 -0.793 18710 777 1 3 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.370 -0.431 18710 778 1 3 . 1 1 33 33 ARG CB C 33 30.555 30.555 31.915 -1.360 18710 779 1 3 . 1 1 33 33 ARG H H 33 8.270 8.270 8.084 0.186 18710 780 1 3 . 1 1 34 34 SER N N 34 109.872 109.872 111.462 -1.590 18710 781 1 3 . 1 1 34 34 SER HA H 34 4.563 4.563 4.612 -0.049 18710 782 1 3 . 1 1 34 34 SER C C 34 173.047 173.047 173.509 -0.462 18710 783 1 3 . 1 1 34 34 SER CA C 34 57.747 57.747 57.739 0.008 18710 784 1 3 . 1 1 34 34 SER CB C 34 65.477 65.477 64.849 0.628 18710 785 1 3 . 1 1 34 34 SER H H 34 8.073 8.073 8.010 0.063 18710 786 1 3 . 1 1 35 35 GLY N N 35 107.697 107.697 111.125 -3.428 18710 787 1 3 . 1 1 35 35 GLY C C 35 170.741 170.741 174.589 -3.848 18710 788 1 3 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.221 0.697 18710 789 1 3 . 1 1 35 35 GLY H H 35 8.869 8.869 8.284 0.585 18710 790 1 3 . 1 1 36 36 GLU N N 36 118.971 118.971 119.278 -0.307 18710 791 1 3 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.405 -0.253 18710 792 1 3 . 1 1 36 36 GLU C C 36 173.995 173.995 176.095 -2.100 18710 793 1 3 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.866 -0.375 18710 794 1 3 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.071 0.203 18710 795 1 3 . 1 1 36 36 GLU H H 36 8.226 8.226 7.854 0.372 18710 796 1 3 . 1 1 37 37 CYS N N 37 120.679 120.679 120.244 0.435 18710 797 1 3 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.236 0.878 18710 798 1 3 . 1 1 37 37 CYS C C 37 173.692 173.692 174.437 -0.745 18710 799 1 3 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.336 -2.020 18710 800 1 3 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.767 17.171 18710 801 1 3 . 1 1 37 37 CYS H H 37 8.851 8.851 8.511 0.340 18710 802 1 3 . 1 1 38 38 PHE N N 38 120.484 120.484 119.607 0.877 18710 803 1 3 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.734 -0.059 18710 804 1 3 . 1 1 38 38 PHE C C 38 175.480 175.480 173.937 1.543 18710 805 1 3 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.505 0.233 18710 806 1 3 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.794 0.986 18710 807 1 3 . 1 1 38 38 PHE H H 38 9.072 9.072 8.363 0.709 18710 808 1 3 . 1 1 39 39 TYR N N 39 122.666 122.666 119.804 2.862 18710 809 1 3 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.053 -0.265 18710 810 1 3 . 1 1 39 39 TYR C C 39 176.738 176.738 175.862 0.876 18710 811 1 3 . 1 1 39 39 TYR CA C 39 58.938 58.938 58.081 0.856 18710 812 1 3 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.315 0.945 18710 813 1 3 . 1 1 39 39 TYR H H 39 9.002 9.002 8.769 0.233 18710 814 1 3 . 1 1 40 40 ASP N N 40 123.525 123.525 124.219 -0.694 18710 815 1 3 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.788 -0.100 18710 816 1 3 . 1 1 40 40 ASP C C 40 178.719 178.719 177.331 1.388 18710 817 1 3 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.419 -0.188 18710 818 1 3 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.957 -0.993 18710 819 1 3 . 1 1 40 40 ASP H H 40 8.707 8.707 8.105 0.602 18710 820 1 3 . 1 1 41 41 GLU N N 41 118.054 118.054 119.834 -1.780 18710 821 1 3 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.201 -0.052 18710 822 1 3 . 1 1 41 41 GLU C C 41 177.487 177.487 176.813 0.674 18710 823 1 3 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.063 -0.143 18710 824 1 3 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.336 -0.683 18710 825 1 3 . 1 1 41 41 GLU H H 41 9.098 9.098 8.909 0.189 18710 826 1 3 . 1 1 42 42 LYS N N 42 120.287 120.287 117.255 3.032 18710 827 1 3 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.499 -0.128 18710 828 1 3 . 1 1 42 42 LYS C C 42 175.319 175.319 175.674 -0.355 18710 829 1 3 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.559 -0.171 18710 830 1 3 . 1 1 42 42 LYS CB C 42 31.935 31.935 31.999 -0.064 18710 831 1 3 . 1 1 42 42 LYS H H 42 8.104 8.104 7.893 0.211 18710 832 1 3 . 1 1 43 43 ARG N N 43 113.150 113.150 116.150 -3.000 18710 833 1 3 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.143 -0.569 18710 834 1 3 . 1 1 43 43 ARG C C 43 174.823 174.823 174.733 0.090 18710 835 1 3 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.176 -0.057 18710 836 1 3 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.559 -2.975 18710 837 1 3 . 1 1 43 43 ARG H H 43 8.305 8.305 7.650 0.655 18710 838 1 3 . 1 1 44 44 ASN N N 44 118.284 118.284 115.587 2.697 18710 839 1 3 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.783 0.171 18710 840 1 3 . 1 1 44 44 ASN C C 44 174.806 174.806 174.729 0.077 18710 841 1 3 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.131 0.522 18710 842 1 3 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.355 -0.274 18710 843 1 3 . 1 1 44 44 ASN H H 44 8.771 8.771 7.838 0.933 18710 844 1 3 . 1 1 45 45 LEU N N 45 126.852 126.852 122.954 3.898 18710 845 1 3 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.418 -0.378 18710 846 1 3 . 1 1 45 45 LEU C C 45 175.554 175.554 176.349 -0.795 18710 847 1 3 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.587 0.443 18710 848 1 3 . 1 1 45 45 LEU CB C 45 42.855 42.855 41.374 1.481 18710 849 1 3 . 1 1 45 45 LEU H H 45 8.740 8.740 8.465 0.275 18710 850 1 3 . 1 1 46 46 GLN N N 46 120.892 120.892 121.073 -0.181 18710 851 1 3 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.544 0.096 18710 852 1 3 . 1 1 46 46 GLN C C 46 174.603 174.603 174.974 -0.371 18710 853 1 3 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.478 0.319 18710 854 1 3 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.954 1.446 18710 855 1 3 . 1 1 46 46 GLN H H 46 8.462 8.462 8.237 0.225 18710 856 1 3 . 1 1 47 47 CYS N N 47 122.189 122.189 124.700 -2.511 18710 857 1 3 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.281 0.473 18710 858 1 3 . 1 1 47 47 CYS C C 47 171.892 171.892 174.705 -2.813 18710 859 1 3 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.893 -4.882 18710 860 1 3 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.501 12.562 18710 861 1 3 . 1 1 47 47 CYS H H 47 9.292 9.292 8.963 0.329 18710 862 1 3 . 1 1 48 48 ILE N N 48 129.091 129.091 126.384 2.707 18710 863 1 3 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.627 -0.357 18710 864 1 3 . 1 1 48 48 ILE C C 48 175.922 175.922 175.378 0.544 18710 865 1 3 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.328 0.003 18710 866 1 3 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.511 -1.548 18710 867 1 3 . 1 1 48 48 ILE H H 48 8.724 8.724 9.146 -0.422 18710 868 1 3 . 1 1 49 49 CYS N N 49 126.727 126.727 128.320 -1.593 18710 869 1 3 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.272 0.956 18710 870 1 3 . 1 1 49 49 CYS C C 49 172.511 172.511 173.429 -0.918 18710 871 1 3 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.672 -8.082 18710 872 1 3 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.597 8.937 18710 873 1 3 . 1 1 49 49 CYS H H 49 8.457 8.457 8.759 -0.302 18710 874 1 3 . 1 1 50 50 ASP N N 50 122.574 122.574 125.375 -2.801 18710 875 1 3 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.773 0.737 18710 876 1 3 . 1 1 50 50 ASP C C 50 176.217 176.217 174.767 1.450 18710 877 1 3 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.162 -0.079 18710 878 1 3 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.618 1.252 18710 879 1 3 . 1 1 50 50 ASP H H 50 8.896 8.896 8.510 0.386 18710 880 1 3 . 1 1 51 51 TYR N N 51 125.641 125.641 122.393 3.248 18710 881 1 3 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.653 -0.537 18710 882 1 3 . 1 1 51 51 TYR C C 51 175.491 175.491 174.876 0.615 18710 883 1 3 . 1 1 51 51 TYR CA C 51 59.295 59.295 57.392 1.903 18710 884 1 3 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.843 1.696 18710 885 1 3 . 1 1 51 51 TYR H H 51 9.819 9.819 7.562 2.257 18710 886 1 3 . 1 1 52 52 CYS N N 52 121.040 121.040 118.037 3.003 18710 887 1 3 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.496 -0.124 18710 888 1 3 . 1 1 52 52 CYS C C 52 173.129 173.129 173.755 -0.626 18710 889 1 3 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.542 -3.517 18710 890 1 3 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.347 13.894 18710 891 1 3 . 1 1 52 52 CYS H H 52 9.700 9.700 7.586 2.114 18710 892 1 3 . 1 1 53 53 GLU N N 53 121.628 121.628 122.273 -0.645 18710 893 1 3 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.634 -0.369 18710 894 1 3 . 1 1 53 53 GLU C C 53 174.253 174.253 175.980 -1.727 18710 895 1 3 . 1 1 53 53 GLU CA C 53 55.200 55.200 55.947 -0.747 18710 896 1 3 . 1 1 53 53 GLU CB C 53 31.198 31.198 27.567 3.631 18710 897 1 3 . 1 1 53 53 GLU H H 53 8.466 8.466 8.721 -0.255 18710 898 1 4 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.107 0.139 18710 899 1 4 . 1 1 3 3 LYS C C 3 176.970 176.970 177.749 -0.779 18710 900 1 4 . 1 1 3 3 LYS CA C 3 57.314 57.314 58.547 -1.233 18710 901 1 4 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.433 0.078 18710 902 1 4 . 1 1 4 4 CYS N N 4 117.663 117.663 115.856 1.807 18710 903 1 4 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.419 0.195 18710 904 1 4 . 1 1 4 4 CYS C C 4 174.336 174.336 175.789 -1.453 18710 905 1 4 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.471 -2.190 18710 906 1 4 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.321 15.008 18710 907 1 4 . 1 1 4 4 CYS H H 4 8.552 8.552 8.328 0.224 18710 908 1 4 . 1 1 5 5 LYS N N 5 118.468 118.468 121.238 -2.770 18710 909 1 4 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.486 1.033 18710 910 1 4 . 1 1 5 5 LYS C C 5 176.806 176.806 175.955 0.851 18710 911 1 4 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.690 -0.935 18710 912 1 4 . 1 1 5 5 LYS CB C 5 34.548 34.548 30.906 3.642 18710 913 1 4 . 1 1 5 5 LYS H H 5 8.067 8.067 7.666 0.401 18710 914 1 4 . 1 1 6 6 LYS N N 6 121.028 121.028 125.932 -4.904 18710 915 1 4 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.605 0.111 18710 916 1 4 . 1 1 6 6 LYS C C 6 176.149 176.149 174.452 1.697 18710 917 1 4 . 1 1 6 6 LYS CA C 6 55.267 55.267 55.242 0.025 18710 918 1 4 . 1 1 6 6 LYS CB C 6 36.779 36.779 36.037 0.742 18710 919 1 4 . 1 1 6 6 LYS H H 6 9.043 9.043 8.741 0.302 18710 920 1 4 . 1 1 7 7 VAL N N 7 128.686 128.686 122.866 5.820 18710 921 1 4 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.308 -0.411 18710 922 1 4 . 1 1 7 7 VAL C C 7 175.013 175.013 175.013 0.000 18710 923 1 4 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.661 3.155 18710 924 1 4 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.916 -0.774 18710 925 1 4 . 1 1 7 7 VAL H H 7 8.991 8.991 8.457 0.534 18710 926 1 4 . 1 1 8 8 TYR N N 8 129.909 129.909 126.188 3.721 18710 927 1 4 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.899 -0.528 18710 928 1 4 . 1 1 8 8 TYR C C 8 175.018 175.018 174.480 0.538 18710 929 1 4 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.756 -1.369 18710 930 1 4 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.707 -3.887 18710 931 1 4 . 1 1 8 8 TYR H H 8 9.265 9.265 7.904 1.361 18710 932 1 4 . 1 1 9 9 GLU N N 9 131.262 131.262 125.088 6.174 18710 933 1 4 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.816 0.295 18710 934 1 4 . 1 1 9 9 GLU C C 9 177.071 177.071 177.194 -0.123 18710 935 1 4 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.443 0.716 18710 936 1 4 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.889 -0.801 18710 937 1 4 . 1 1 9 9 GLU H H 9 9.217 9.217 8.669 0.548 18710 938 1 4 . 1 1 10 10 ASN N N 10 115.995 115.995 115.467 0.528 18710 939 1 4 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.465 -0.111 18710 940 1 4 . 1 1 10 10 ASN C C 10 174.465 174.465 174.615 -0.150 18710 941 1 4 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.349 -0.848 18710 942 1 4 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.668 -0.596 18710 943 1 4 . 1 1 10 10 ASN H H 10 9.445 9.445 8.523 0.922 18710 944 1 4 . 1 1 11 11 TYR N N 11 122.981 122.981 118.948 4.033 18710 945 1 4 . 1 1 11 11 TYR HA H 11 4.108 4.108 5.014 -0.906 18710 946 1 4 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.369 3.026 18710 947 1 4 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.352 0.948 18710 948 1 4 . 1 1 11 11 TYR H H 11 7.533 7.533 8.055 -0.522 18710 949 1 4 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.178 0.230 18710 950 1 4 . 1 1 12 12 PRO C C 12 176.771 176.771 177.896 -1.125 18710 951 1 4 . 1 1 12 12 PRO CA C 12 62.008 62.008 61.971 0.037 18710 952 1 4 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.709 -2.390 18710 953 1 4 . 1 1 13 13 VAL N N 13 124.171 124.171 118.490 5.681 18710 954 1 4 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.724 0.060 18710 955 1 4 . 1 1 13 13 VAL C C 13 178.748 178.748 177.757 0.991 18710 956 1 4 . 1 1 13 13 VAL CA C 13 65.650 65.650 64.533 1.117 18710 957 1 4 . 1 1 13 13 VAL CB C 13 31.465 31.465 32.015 -0.550 18710 958 1 4 . 1 1 13 13 VAL H H 13 8.195 8.195 8.192 0.003 18710 959 1 4 . 1 1 14 14 SER N N 14 118.320 118.320 115.251 3.069 18710 960 1 4 . 1 1 14 14 SER HA H 14 4.092 4.092 4.137 -0.045 18710 961 1 4 . 1 1 14 14 SER C C 14 177.862 177.862 176.380 1.482 18710 962 1 4 . 1 1 14 14 SER CA C 14 61.300 61.300 61.544 -0.244 18710 963 1 4 . 1 1 14 14 SER CB C 14 61.302 61.302 62.944 -1.642 18710 964 1 4 . 1 1 14 14 SER H H 14 8.577 8.577 8.150 0.427 18710 965 1 4 . 1 1 15 15 LYS N N 15 121.997 121.997 119.313 2.684 18710 966 1 4 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.302 -0.299 18710 967 1 4 . 1 1 15 15 LYS C C 15 178.744 178.744 177.878 0.866 18710 968 1 4 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.617 1.093 18710 969 1 4 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.689 -1.302 18710 970 1 4 . 1 1 15 15 LYS H H 15 7.886 7.886 7.695 0.191 18710 971 1 4 . 1 1 16 16 CYS N N 16 115.824 115.824 119.921 -4.097 18710 972 1 4 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.416 0.284 18710 973 1 4 . 1 1 16 16 CYS C C 16 175.843 175.843 176.294 -0.451 18710 974 1 4 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.469 -2.417 18710 975 1 4 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.423 14.990 18710 976 1 4 . 1 1 16 16 CYS H H 16 7.848 7.848 8.205 -0.357 18710 977 1 4 . 1 1 17 17 GLN N N 17 115.165 115.165 117.588 -2.423 18710 978 1 4 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.067 0.085 18710 979 1 4 . 1 1 17 17 GLN C C 17 175.310 175.310 176.486 -1.176 18710 980 1 4 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.669 -1.420 18710 981 1 4 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.811 -0.155 18710 982 1 4 . 1 1 17 17 GLN H H 17 7.398 7.398 7.913 -0.515 18710 983 1 4 . 1 1 18 18 LEU N N 18 121.702 121.702 119.581 2.121 18710 984 1 4 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.574 -0.091 18710 985 1 4 . 1 1 18 18 LEU C C 18 176.211 176.211 176.396 -0.185 18710 986 1 4 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.344 0.025 18710 987 1 4 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.889 -0.711 18710 988 1 4 . 1 1 18 18 LEU H H 18 7.354 7.354 8.060 -0.706 18710 989 1 4 . 1 1 19 19 ALA N N 19 128.501 128.501 128.177 0.324 18710 990 1 4 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.886 0.189 18710 991 1 4 . 1 1 19 19 ALA C C 19 179.107 179.107 177.823 1.284 18710 992 1 4 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.728 -0.830 18710 993 1 4 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.721 -0.722 18710 994 1 4 . 1 1 19 19 ALA H H 19 8.735 8.735 8.887 -0.152 18710 995 1 4 . 1 1 20 20 ASN N N 20 116.786 116.786 114.403 2.383 18710 996 1 4 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.611 -0.033 18710 997 1 4 . 1 1 20 20 ASN C C 20 174.900 174.900 177.265 -2.365 18710 998 1 4 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.923 0.215 18710 999 1 4 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.969 1.354 18710 1000 1 4 . 1 1 20 20 ASN H H 20 9.284 9.284 7.878 1.406 18710 1001 1 4 . 1 1 21 21 GLN N N 21 123.178 123.178 121.387 1.791 18710 1002 1 4 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.087 -0.310 18710 1003 1 4 . 1 1 21 21 GLN C C 21 176.327 176.327 177.399 -1.072 18710 1004 1 4 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.666 0.803 18710 1005 1 4 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.728 0.710 18710 1006 1 4 . 1 1 21 21 GLN H H 21 7.696 7.696 8.583 -0.887 18710 1007 1 4 . 1 1 22 22 CYS N N 22 119.327 119.327 118.632 0.695 18710 1008 1 4 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.278 -0.024 18710 1009 1 4 . 1 1 22 22 CYS C C 22 175.955 175.955 177.268 -1.313 18710 1010 1 4 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.164 -4.772 18710 1011 1 4 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.102 12.472 18710 1012 1 4 . 1 1 22 22 CYS H H 22 8.495 8.495 7.844 0.651 18710 1013 1 4 . 1 1 23 23 ASN N N 23 119.489 119.489 117.781 1.708 18710 1014 1 4 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.398 -0.633 18710 1015 1 4 . 1 1 23 23 ASN C C 23 175.773 175.773 177.633 -1.860 18710 1016 1 4 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.357 1.508 18710 1017 1 4 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.360 1.901 18710 1018 1 4 . 1 1 23 23 ASN H H 23 8.224 8.224 8.177 0.047 18710 1019 1 4 . 1 1 24 24 TYR N N 24 118.459 118.459 120.992 -2.533 18710 1020 1 4 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.117 -0.291 18710 1021 1 4 . 1 1 24 24 TYR C C 24 178.310 178.310 178.219 0.091 18710 1022 1 4 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.013 -0.273 18710 1023 1 4 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.048 0.522 18710 1024 1 4 . 1 1 24 24 TYR H H 24 8.296 8.296 7.774 0.522 18710 1025 1 4 . 1 1 25 25 ASP N N 25 119.944 119.944 119.580 0.364 18710 1026 1 4 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.423 0.181 18710 1027 1 4 . 1 1 25 25 ASP C C 25 179.719 179.719 179.124 0.595 18710 1028 1 4 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.306 0.298 18710 1029 1 4 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.194 0.190 18710 1030 1 4 . 1 1 25 25 ASP H H 25 9.105 9.105 8.497 0.608 18710 1031 1 4 . 1 1 26 26 CYS N N 26 120.503 120.503 119.430 1.073 18710 1032 1 4 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.516 -0.439 18710 1033 1 4 . 1 1 26 26 CYS C C 26 177.789 177.789 177.901 -0.112 18710 1034 1 4 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.447 -1.919 18710 1035 1 4 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.596 10.044 18710 1036 1 4 . 1 1 26 26 CYS H H 26 9.403 9.403 9.207 0.196 18710 1037 1 4 . 1 1 27 27 LYS N N 27 119.866 119.866 120.240 -0.374 18710 1038 1 4 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.170 -0.167 18710 1039 1 4 . 1 1 27 27 LYS C C 27 177.792 177.792 179.019 -1.227 18710 1040 1 4 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.310 0.400 18710 1041 1 4 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.543 -0.341 18710 1042 1 4 . 1 1 27 27 LYS H H 27 7.652 7.652 8.453 -0.801 18710 1043 1 4 . 1 1 28 28 LEU N N 28 119.921 119.921 119.531 0.390 18710 1044 1 4 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.944 0.077 18710 1045 1 4 . 1 1 28 28 LEU C C 28 178.369 178.369 177.628 0.741 18710 1046 1 4 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.912 0.589 18710 1047 1 4 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.995 0.276 18710 1048 1 4 . 1 1 28 28 LEU H H 28 8.129 8.129 8.288 -0.159 18710 1049 1 4 . 1 1 29 29 ASP N N 29 117.215 117.215 117.527 -0.312 18710 1050 1 4 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.464 -0.081 18710 1051 1 4 . 1 1 29 29 ASP C C 29 178.274 178.274 176.967 1.307 18710 1052 1 4 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.040 0.036 18710 1053 1 4 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.208 -0.848 18710 1054 1 4 . 1 1 29 29 ASP H H 29 9.053 9.053 8.343 0.710 18710 1055 1 4 . 1 1 30 30 LYS N N 30 111.912 111.912 115.278 -3.366 18710 1056 1 4 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.428 0.017 18710 1057 1 4 . 1 1 30 30 LYS C C 30 176.629 176.629 176.358 0.271 18710 1058 1 4 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.918 -1.939 18710 1059 1 4 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.519 -1.841 18710 1060 1 4 . 1 1 30 30 LYS H H 30 6.601 6.601 7.575 -0.974 18710 1061 1 4 . 1 1 31 31 HIS N N 31 112.584 112.584 115.129 -2.545 18710 1062 1 4 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.405 0.155 18710 1063 1 4 . 1 1 31 31 HIS C C 31 174.202 174.202 174.425 -0.223 18710 1064 1 4 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.733 -0.599 18710 1065 1 4 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.192 -0.582 18710 1066 1 4 . 1 1 31 31 HIS H H 31 6.937 6.937 7.747 -0.810 18710 1067 1 4 . 1 1 32 32 ALA N N 32 120.390 120.390 122.017 -1.627 18710 1068 1 4 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.240 -0.187 18710 1069 1 4 . 1 1 32 32 ALA C C 32 175.340 175.340 176.270 -0.930 18710 1070 1 4 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.710 -1.102 18710 1071 1 4 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.132 -2.220 18710 1072 1 4 . 1 1 32 32 ALA H H 32 7.639 7.639 8.024 -0.385 18710 1073 1 4 . 1 1 33 33 ARG N N 33 116.855 116.855 117.449 -0.594 18710 1074 1 4 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.632 -0.541 18710 1075 1 4 . 1 1 33 33 ARG C C 33 176.630 176.630 177.984 -1.354 18710 1076 1 4 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.371 -0.433 18710 1077 1 4 . 1 1 33 33 ARG CB C 33 30.555 30.555 31.716 -1.161 18710 1078 1 4 . 1 1 33 33 ARG H H 33 8.270 8.270 8.195 0.075 18710 1079 1 4 . 1 1 34 34 SER N N 34 109.872 109.872 112.134 -2.262 18710 1080 1 4 . 1 1 34 34 SER HA H 34 4.563 4.563 4.593 -0.030 18710 1081 1 4 . 1 1 34 34 SER C C 34 173.047 173.047 173.830 -0.783 18710 1082 1 4 . 1 1 34 34 SER CA C 34 57.747 57.747 57.909 -0.162 18710 1083 1 4 . 1 1 34 34 SER CB C 34 65.477 65.477 65.181 0.296 18710 1084 1 4 . 1 1 34 34 SER H H 34 8.073 8.073 8.123 -0.050 18710 1085 1 4 . 1 1 35 35 GLY N N 35 107.697 107.697 111.526 -3.829 18710 1086 1 4 . 1 1 35 35 GLY C C 35 170.741 170.741 174.418 -3.677 18710 1087 1 4 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.273 0.645 18710 1088 1 4 . 1 1 35 35 GLY H H 35 8.869 8.869 8.266 0.603 18710 1089 1 4 . 1 1 36 36 GLU N N 36 118.971 118.971 119.306 -0.335 18710 1090 1 4 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.333 -0.181 18710 1091 1 4 . 1 1 36 36 GLU C C 36 173.995 173.995 176.085 -2.090 18710 1092 1 4 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.596 -0.104 18710 1093 1 4 . 1 1 36 36 GLU CB C 36 32.274 32.274 31.856 0.418 18710 1094 1 4 . 1 1 36 36 GLU H H 36 8.226 8.226 7.787 0.439 18710 1095 1 4 . 1 1 37 37 CYS N N 37 120.679 120.679 120.522 0.157 18710 1096 1 4 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.119 0.995 18710 1097 1 4 . 1 1 37 37 CYS C C 37 173.692 173.692 174.403 -0.711 18710 1098 1 4 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.484 -2.168 18710 1099 1 4 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.501 17.437 18710 1100 1 4 . 1 1 37 37 CYS H H 37 8.851 8.851 8.480 0.371 18710 1101 1 4 . 1 1 38 38 PHE N N 38 120.484 120.484 119.562 0.922 18710 1102 1 4 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.694 -0.019 18710 1103 1 4 . 1 1 38 38 PHE C C 38 175.480 175.480 173.955 1.525 18710 1104 1 4 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.525 0.213 18710 1105 1 4 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.923 0.857 18710 1106 1 4 . 1 1 38 38 PHE H H 38 9.072 9.072 8.318 0.754 18710 1107 1 4 . 1 1 39 39 TYR N N 39 122.666 122.666 120.041 2.625 18710 1108 1 4 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.014 -0.226 18710 1109 1 4 . 1 1 39 39 TYR C C 39 176.738 176.738 175.825 0.913 18710 1110 1 4 . 1 1 39 39 TYR CA C 39 58.938 58.938 58.164 0.774 18710 1111 1 4 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.083 1.177 18710 1112 1 4 . 1 1 39 39 TYR H H 39 9.002 9.002 8.786 0.216 18710 1113 1 4 . 1 1 40 40 ASP N N 40 123.525 123.525 124.504 -0.979 18710 1114 1 4 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.778 -0.090 18710 1115 1 4 . 1 1 40 40 ASP C C 40 178.719 178.719 177.393 1.326 18710 1116 1 4 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.375 -0.145 18710 1117 1 4 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.964 -1.000 18710 1118 1 4 . 1 1 40 40 ASP H H 40 8.707 8.707 8.064 0.643 18710 1119 1 4 . 1 1 41 41 GLU N N 41 118.054 118.054 119.902 -1.848 18710 1120 1 4 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.154 -0.005 18710 1121 1 4 . 1 1 41 41 GLU C C 41 177.487 177.487 176.976 0.511 18710 1122 1 4 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.085 -0.165 18710 1123 1 4 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.378 -0.725 18710 1124 1 4 . 1 1 41 41 GLU H H 41 9.098 9.098 8.904 0.194 18710 1125 1 4 . 1 1 42 42 LYS N N 42 120.287 120.287 116.664 3.623 18710 1126 1 4 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.435 -0.064 18710 1127 1 4 . 1 1 42 42 LYS C C 42 175.319 175.319 175.972 -0.653 18710 1128 1 4 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.296 0.091 18710 1129 1 4 . 1 1 42 42 LYS CB C 42 31.935 31.935 31.895 0.040 18710 1130 1 4 . 1 1 42 42 LYS H H 42 8.104 8.104 8.045 0.059 18710 1131 1 4 . 1 1 43 43 ARG N N 43 113.150 113.150 116.191 -3.041 18710 1132 1 4 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.143 -0.569 18710 1133 1 4 . 1 1 43 43 ARG C C 43 174.823 174.823 174.721 0.102 18710 1134 1 4 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.120 -0.001 18710 1135 1 4 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.458 -2.874 18710 1136 1 4 . 1 1 43 43 ARG H H 43 8.305 8.305 7.702 0.603 18710 1137 1 4 . 1 1 44 44 ASN N N 44 118.284 118.284 115.427 2.857 18710 1138 1 4 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.771 0.183 18710 1139 1 4 . 1 1 44 44 ASN C C 44 174.806 174.806 174.877 -0.071 18710 1140 1 4 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.016 0.637 18710 1141 1 4 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.438 -0.357 18710 1142 1 4 . 1 1 44 44 ASN H H 44 8.771 8.771 7.823 0.948 18710 1143 1 4 . 1 1 45 45 LEU N N 45 126.852 126.852 123.289 3.563 18710 1144 1 4 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.289 -0.249 18710 1145 1 4 . 1 1 45 45 LEU C C 45 175.554 175.554 176.202 -0.648 18710 1146 1 4 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.527 0.503 18710 1147 1 4 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.884 1.971 18710 1148 1 4 . 1 1 45 45 LEU H H 45 8.740 8.740 8.481 0.259 18710 1149 1 4 . 1 1 46 46 GLN N N 46 120.892 120.892 121.416 -0.524 18710 1150 1 4 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.482 0.158 18710 1151 1 4 . 1 1 46 46 GLN C C 46 174.603 174.603 175.082 -0.479 18710 1152 1 4 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.431 0.366 18710 1153 1 4 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.400 2.000 18710 1154 1 4 . 1 1 46 46 GLN H H 46 8.462 8.462 8.233 0.229 18710 1155 1 4 . 1 1 47 47 CYS N N 47 122.189 122.189 124.489 -2.300 18710 1156 1 4 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.236 0.518 18710 1157 1 4 . 1 1 47 47 CYS C C 47 171.892 171.892 174.462 -2.570 18710 1158 1 4 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.938 -4.928 18710 1159 1 4 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.373 12.690 18710 1160 1 4 . 1 1 47 47 CYS H H 47 9.292 9.292 8.912 0.380 18710 1161 1 4 . 1 1 48 48 ILE N N 48 129.091 129.091 126.383 2.708 18710 1162 1 4 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.709 -0.439 18710 1163 1 4 . 1 1 48 48 ILE C C 48 175.922 175.922 175.439 0.483 18710 1164 1 4 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.216 0.115 18710 1165 1 4 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.570 -1.607 18710 1166 1 4 . 1 1 48 48 ILE H H 48 8.724 8.724 8.990 -0.266 18710 1167 1 4 . 1 1 49 49 CYS N N 49 126.727 126.727 128.574 -1.847 18710 1168 1 4 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.292 0.936 18710 1169 1 4 . 1 1 49 49 CYS C C 49 172.511 172.511 173.521 -1.010 18710 1170 1 4 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.495 -7.905 18710 1171 1 4 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.608 8.926 18710 1172 1 4 . 1 1 49 49 CYS H H 49 8.457 8.457 8.829 -0.372 18710 1173 1 4 . 1 1 50 50 ASP N N 50 122.574 122.574 125.362 -2.788 18710 1174 1 4 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.870 0.640 18710 1175 1 4 . 1 1 50 50 ASP C C 50 176.217 176.217 174.772 1.445 18710 1176 1 4 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.425 -0.342 18710 1177 1 4 . 1 1 50 50 ASP CB C 50 42.870 42.870 42.031 0.839 18710 1178 1 4 . 1 1 50 50 ASP H H 50 8.896 8.896 8.542 0.354 18710 1179 1 4 . 1 1 51 51 TYR N N 51 125.641 125.641 122.050 3.591 18710 1180 1 4 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.844 -0.728 18710 1181 1 4 . 1 1 51 51 TYR C C 51 175.491 175.491 175.288 0.203 18710 1182 1 4 . 1 1 51 51 TYR CA C 51 59.295 59.295 56.657 2.638 18710 1183 1 4 . 1 1 51 51 TYR CB C 51 38.540 38.540 37.027 1.513 18710 1184 1 4 . 1 1 51 51 TYR H H 51 9.819 9.819 7.801 2.018 18710 1185 1 4 . 1 1 52 52 CYS N N 52 121.040 121.040 117.922 3.118 18710 1186 1 4 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.581 -0.209 18710 1187 1 4 . 1 1 52 52 CYS C C 52 173.129 173.129 173.930 -0.801 18710 1188 1 4 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.542 -3.518 18710 1189 1 4 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.752 13.489 18710 1190 1 4 . 1 1 52 52 CYS H H 52 9.700 9.700 7.775 1.925 18710 1191 1 4 . 1 1 53 53 GLU N N 53 121.628 121.628 121.752 -0.124 18710 1192 1 4 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.322 -0.057 18710 1193 1 4 . 1 1 53 53 GLU C C 53 174.253 174.253 175.971 -1.718 18710 1194 1 4 . 1 1 53 53 GLU CA C 53 55.200 55.200 56.001 -0.801 18710 1195 1 4 . 1 1 53 53 GLU CB C 53 31.198 31.198 27.733 3.465 18710 1196 1 4 . 1 1 53 53 GLU H H 53 8.466 8.466 8.673 -0.207 18710 1197 1 5 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.095 0.151 18710 1198 1 5 . 1 1 3 3 LYS C C 3 176.970 176.970 176.850 0.120 18710 1199 1 5 . 1 1 3 3 LYS CA C 3 57.314 57.314 58.859 -1.545 18710 1200 1 5 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.368 0.143 18710 1201 1 5 . 1 1 4 4 CYS N N 4 117.663 117.663 115.108 2.555 18710 1202 1 5 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.444 0.170 18710 1203 1 5 . 1 1 4 4 CYS C C 4 174.336 174.336 175.234 -0.898 18710 1204 1 5 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.406 -2.125 18710 1205 1 5 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.833 14.496 18710 1206 1 5 . 1 1 4 4 CYS H H 4 8.552 8.552 8.157 0.395 18710 1207 1 5 . 1 1 5 5 LYS N N 5 118.468 118.468 121.142 -2.674 18710 1208 1 5 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.533 0.986 18710 1209 1 5 . 1 1 5 5 LYS C C 5 176.806 176.806 175.921 0.885 18710 1210 1 5 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.698 -0.943 18710 1211 1 5 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.094 3.454 18710 1212 1 5 . 1 1 5 5 LYS H H 5 8.067 8.067 7.440 0.627 18710 1213 1 5 . 1 1 6 6 LYS N N 6 121.028 121.028 124.999 -3.971 18710 1214 1 5 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.669 0.047 18710 1215 1 5 . 1 1 6 6 LYS C C 6 176.149 176.149 174.451 1.698 18710 1216 1 5 . 1 1 6 6 LYS CA C 6 55.267 55.267 54.969 0.298 18710 1217 1 5 . 1 1 6 6 LYS CB C 6 36.779 36.779 36.200 0.579 18710 1218 1 5 . 1 1 6 6 LYS H H 6 9.043 9.043 8.727 0.316 18710 1219 1 5 . 1 1 7 7 VAL N N 7 128.686 128.686 123.028 5.658 18710 1220 1 5 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.328 -0.431 18710 1221 1 5 . 1 1 7 7 VAL C C 7 175.013 175.013 174.857 0.156 18710 1222 1 5 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.371 3.445 18710 1223 1 5 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.419 -0.277 18710 1224 1 5 . 1 1 7 7 VAL H H 7 8.991 8.991 8.547 0.444 18710 1225 1 5 . 1 1 8 8 TYR N N 8 129.909 129.909 125.692 4.217 18710 1226 1 5 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.901 -0.530 18710 1227 1 5 . 1 1 8 8 TYR C C 8 175.018 175.018 174.451 0.567 18710 1228 1 5 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.746 -1.359 18710 1229 1 5 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.571 -3.751 18710 1230 1 5 . 1 1 8 8 TYR H H 8 9.265 9.265 7.931 1.334 18710 1231 1 5 . 1 1 9 9 GLU N N 9 131.262 131.262 125.061 6.201 18710 1232 1 5 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.816 0.295 18710 1233 1 5 . 1 1 9 9 GLU C C 9 177.071 177.071 177.171 -0.100 18710 1234 1 5 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.414 0.745 18710 1235 1 5 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.886 -0.798 18710 1236 1 5 . 1 1 9 9 GLU H H 9 9.217 9.217 8.664 0.553 18710 1237 1 5 . 1 1 10 10 ASN N N 10 115.995 115.995 115.452 0.543 18710 1238 1 5 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.463 -0.109 18710 1239 1 5 . 1 1 10 10 ASN C C 10 174.465 174.465 174.597 -0.132 18710 1240 1 5 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.349 -0.848 18710 1241 1 5 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.645 -0.573 18710 1242 1 5 . 1 1 10 10 ASN H H 10 9.445 9.445 8.528 0.917 18710 1243 1 5 . 1 1 11 11 TYR N N 11 122.981 122.981 118.283 4.698 18710 1244 1 5 . 1 1 11 11 TYR HA H 11 4.108 4.108 4.968 -0.860 18710 1245 1 5 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.269 3.126 18710 1246 1 5 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.196 1.104 18710 1247 1 5 . 1 1 11 11 TYR H H 11 7.533 7.533 8.039 -0.506 18710 1248 1 5 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.205 0.203 18710 1249 1 5 . 1 1 12 12 PRO C C 12 176.771 176.771 177.631 -0.860 18710 1250 1 5 . 1 1 12 12 PRO CA C 12 62.008 62.008 62.156 -0.147 18710 1251 1 5 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.389 -2.071 18710 1252 1 5 . 1 1 13 13 VAL N N 13 124.171 124.171 115.644 8.527 18710 1253 1 5 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.823 -0.039 18710 1254 1 5 . 1 1 13 13 VAL C C 13 178.748 178.748 177.430 1.318 18710 1255 1 5 . 1 1 13 13 VAL CA C 13 65.650 65.650 64.790 0.860 18710 1256 1 5 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.671 -0.206 18710 1257 1 5 . 1 1 13 13 VAL H H 13 8.195 8.195 8.305 -0.110 18710 1258 1 5 . 1 1 14 14 SER N N 14 118.320 118.320 116.176 2.144 18710 1259 1 5 . 1 1 14 14 SER HA H 14 4.092 4.092 4.125 -0.033 18710 1260 1 5 . 1 1 14 14 SER C C 14 177.862 177.862 176.542 1.320 18710 1261 1 5 . 1 1 14 14 SER CA C 14 61.300 61.300 61.733 -0.433 18710 1262 1 5 . 1 1 14 14 SER CB C 14 61.302 61.302 62.459 -1.157 18710 1263 1 5 . 1 1 14 14 SER H H 14 8.577 8.577 8.188 0.390 18710 1264 1 5 . 1 1 15 15 LYS N N 15 121.997 121.997 119.826 2.171 18710 1265 1 5 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.360 -0.357 18710 1266 1 5 . 1 1 15 15 LYS C C 15 178.744 178.744 177.822 0.922 18710 1267 1 5 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.392 1.318 18710 1268 1 5 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.692 -1.305 18710 1269 1 5 . 1 1 15 15 LYS H H 15 7.886 7.886 7.713 0.173 18710 1270 1 5 . 1 1 16 16 CYS N N 16 115.824 115.824 119.870 -4.046 18710 1271 1 5 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.416 0.284 18710 1272 1 5 . 1 1 16 16 CYS C C 16 175.843 175.843 176.274 -0.431 18710 1273 1 5 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.536 -2.484 18710 1274 1 5 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.434 14.979 18710 1275 1 5 . 1 1 16 16 CYS H H 16 7.848 7.848 8.252 -0.404 18710 1276 1 5 . 1 1 17 17 GLN N N 17 115.165 115.165 117.507 -2.342 18710 1277 1 5 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.081 0.071 18710 1278 1 5 . 1 1 17 17 GLN C C 17 175.310 175.310 176.478 -1.168 18710 1279 1 5 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.651 -1.402 18710 1280 1 5 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.849 -0.193 18710 1281 1 5 . 1 1 17 17 GLN H H 17 7.398 7.398 7.938 -0.540 18710 1282 1 5 . 1 1 18 18 LEU N N 18 121.702 121.702 119.502 2.200 18710 1283 1 5 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.582 -0.099 18710 1284 1 5 . 1 1 18 18 LEU C C 18 176.211 176.211 176.438 -0.227 18710 1285 1 5 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.379 -0.010 18710 1286 1 5 . 1 1 18 18 LEU CB C 18 42.178 42.178 43.004 -0.826 18710 1287 1 5 . 1 1 18 18 LEU H H 18 7.354 7.354 8.104 -0.750 18710 1288 1 5 . 1 1 19 19 ALA N N 19 128.501 128.501 128.089 0.412 18710 1289 1 5 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.903 0.172 18710 1290 1 5 . 1 1 19 19 ALA C C 19 179.107 179.107 177.815 1.292 18710 1291 1 5 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.714 -0.816 18710 1292 1 5 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.750 -0.751 18710 1293 1 5 . 1 1 19 19 ALA H H 19 8.735 8.735 8.877 -0.142 18710 1294 1 5 . 1 1 20 20 ASN N N 20 116.786 116.786 113.225 3.561 18710 1295 1 5 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.570 0.008 18710 1296 1 5 . 1 1 20 20 ASN C C 20 174.900 174.900 176.544 -1.644 18710 1297 1 5 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.550 0.588 18710 1298 1 5 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.873 1.450 18710 1299 1 5 . 1 1 20 20 ASN H H 20 9.284 9.284 8.102 1.182 18710 1300 1 5 . 1 1 21 21 GLN N N 21 123.178 123.178 121.441 1.737 18710 1301 1 5 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.088 -0.311 18710 1302 1 5 . 1 1 21 21 GLN C C 21 176.327 176.327 177.351 -1.024 18710 1303 1 5 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.663 0.806 18710 1304 1 5 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.749 0.689 18710 1305 1 5 . 1 1 21 21 GLN H H 21 7.696 7.696 8.546 -0.850 18710 1306 1 5 . 1 1 22 22 CYS N N 22 119.327 119.327 118.635 0.692 18710 1307 1 5 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.283 -0.029 18710 1308 1 5 . 1 1 22 22 CYS C C 22 175.955 175.955 177.279 -1.324 18710 1309 1 5 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.164 -4.772 18710 1310 1 5 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.113 12.461 18710 1311 1 5 . 1 1 22 22 CYS H H 22 8.495 8.495 7.863 0.632 18710 1312 1 5 . 1 1 23 23 ASN N N 23 119.489 119.489 117.768 1.721 18710 1313 1 5 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.399 -0.634 18710 1314 1 5 . 1 1 23 23 ASN C C 23 175.773 175.773 177.619 -1.846 18710 1315 1 5 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.355 1.510 18710 1316 1 5 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.354 1.907 18710 1317 1 5 . 1 1 23 23 ASN H H 23 8.224 8.224 8.203 0.021 18710 1318 1 5 . 1 1 24 24 TYR N N 24 118.459 118.459 120.971 -2.512 18710 1319 1 5 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.115 -0.289 18710 1320 1 5 . 1 1 24 24 TYR C C 24 178.310 178.310 178.234 0.076 18710 1321 1 5 . 1 1 24 24 TYR CA C 24 61.740 61.740 61.997 -0.257 18710 1322 1 5 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.040 0.530 18710 1323 1 5 . 1 1 24 24 TYR H H 24 8.296 8.296 7.776 0.520 18710 1324 1 5 . 1 1 25 25 ASP N N 25 119.944 119.944 119.606 0.338 18710 1325 1 5 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.421 0.183 18710 1326 1 5 . 1 1 25 25 ASP C C 25 179.719 179.719 179.127 0.592 18710 1327 1 5 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.307 0.297 18710 1328 1 5 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.200 0.184 18710 1329 1 5 . 1 1 25 25 ASP H H 25 9.105 9.105 8.474 0.631 18710 1330 1 5 . 1 1 26 26 CYS N N 26 120.503 120.503 119.461 1.042 18710 1331 1 5 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.503 -0.426 18710 1332 1 5 . 1 1 26 26 CYS C C 26 177.789 177.789 177.901 -0.112 18710 1333 1 5 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.492 -1.964 18710 1334 1 5 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.587 10.053 18710 1335 1 5 . 1 1 26 26 CYS H H 26 9.403 9.403 9.203 0.200 18710 1336 1 5 . 1 1 27 27 LYS N N 27 119.866 119.866 120.181 -0.315 18710 1337 1 5 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.166 -0.163 18710 1338 1 5 . 1 1 27 27 LYS C C 27 177.792 177.792 179.025 -1.233 18710 1339 1 5 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.291 0.419 18710 1340 1 5 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.556 -0.354 18710 1341 1 5 . 1 1 27 27 LYS H H 27 7.652 7.652 8.442 -0.790 18710 1342 1 5 . 1 1 28 28 LEU N N 28 119.921 119.921 119.614 0.307 18710 1343 1 5 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.951 0.070 18710 1344 1 5 . 1 1 28 28 LEU C C 28 178.369 178.369 177.639 0.730 18710 1345 1 5 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.928 0.573 18710 1346 1 5 . 1 1 28 28 LEU CB C 28 42.271 42.271 42.001 0.270 18710 1347 1 5 . 1 1 28 28 LEU H H 28 8.129 8.129 8.297 -0.168 18710 1348 1 5 . 1 1 29 29 ASP N N 29 117.215 117.215 117.494 -0.279 18710 1349 1 5 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.468 -0.085 18710 1350 1 5 . 1 1 29 29 ASP C C 29 178.274 178.274 176.995 1.279 18710 1351 1 5 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.062 0.014 18710 1352 1 5 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.201 -0.841 18710 1353 1 5 . 1 1 29 29 ASP H H 29 9.053 9.053 8.378 0.675 18710 1354 1 5 . 1 1 30 30 LYS N N 30 111.912 111.912 115.229 -3.317 18710 1355 1 5 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.406 0.039 18710 1356 1 5 . 1 1 30 30 LYS C C 30 176.629 176.629 176.407 0.222 18710 1357 1 5 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.959 -1.980 18710 1358 1 5 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.609 -1.931 18710 1359 1 5 . 1 1 30 30 LYS H H 30 6.601 6.601 7.541 -0.940 18710 1360 1 5 . 1 1 31 31 HIS N N 31 112.584 112.584 115.183 -2.599 18710 1361 1 5 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.380 0.180 18710 1362 1 5 . 1 1 31 31 HIS C C 31 174.202 174.202 173.867 0.335 18710 1363 1 5 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.718 -0.584 18710 1364 1 5 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.270 -0.660 18710 1365 1 5 . 1 1 31 31 HIS H H 31 6.937 6.937 7.782 -0.845 18710 1366 1 5 . 1 1 32 32 ALA N N 32 120.390 120.390 121.557 -1.167 18710 1367 1 5 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.097 -0.044 18710 1368 1 5 . 1 1 32 32 ALA C C 32 175.340 175.340 176.368 -1.028 18710 1369 1 5 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.667 -1.059 18710 1370 1 5 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.133 -2.221 18710 1371 1 5 . 1 1 32 32 ALA H H 32 7.639 7.639 8.034 -0.395 18710 1372 1 5 . 1 1 33 33 ARG N N 33 116.855 116.855 117.232 -0.377 18710 1373 1 5 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.625 -0.534 18710 1374 1 5 . 1 1 33 33 ARG C C 33 176.630 176.630 178.061 -1.431 18710 1375 1 5 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.282 -0.344 18710 1376 1 5 . 1 1 33 33 ARG CB C 33 30.555 30.555 32.011 -1.456 18710 1377 1 5 . 1 1 33 33 ARG H H 33 8.270 8.270 8.147 0.123 18710 1378 1 5 . 1 1 34 34 SER N N 34 109.872 109.872 113.339 -3.467 18710 1379 1 5 . 1 1 34 34 SER HA H 34 4.563 4.563 4.497 0.066 18710 1380 1 5 . 1 1 34 34 SER C C 34 173.047 173.047 174.687 -1.640 18710 1381 1 5 . 1 1 34 34 SER CA C 34 57.747 57.747 57.952 -0.205 18710 1382 1 5 . 1 1 34 34 SER CB C 34 65.477 65.477 64.907 0.570 18710 1383 1 5 . 1 1 34 34 SER H H 34 8.073 8.073 7.948 0.125 18710 1384 1 5 . 1 1 35 35 GLY N N 35 107.697 107.697 111.795 -4.098 18710 1385 1 5 . 1 1 35 35 GLY C C 35 170.741 170.741 174.356 -3.615 18710 1386 1 5 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.402 0.516 18710 1387 1 5 . 1 1 35 35 GLY H H 35 8.869 8.869 8.330 0.539 18710 1388 1 5 . 1 1 36 36 GLU N N 36 118.971 118.971 119.523 -0.552 18710 1389 1 5 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.422 -0.270 18710 1390 1 5 . 1 1 36 36 GLU C C 36 173.995 173.995 176.206 -2.211 18710 1391 1 5 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.464 0.027 18710 1392 1 5 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.174 0.100 18710 1393 1 5 . 1 1 36 36 GLU H H 36 8.226 8.226 7.816 0.410 18710 1394 1 5 . 1 1 37 37 CYS N N 37 120.679 120.679 120.960 -0.281 18710 1395 1 5 . 1 1 37 37 CYS HA H 37 6.114 6.114 4.919 1.195 18710 1396 1 5 . 1 1 37 37 CYS C C 37 173.692 173.692 174.560 -0.868 18710 1397 1 5 . 1 1 37 37 CYS CA C 37 56.316 56.316 59.006 -2.690 18710 1398 1 5 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.148 17.790 18710 1399 1 5 . 1 1 37 37 CYS H H 37 8.851 8.851 8.594 0.257 18710 1400 1 5 . 1 1 38 38 PHE N N 38 120.484 120.484 119.609 0.875 18710 1401 1 5 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.703 -0.028 18710 1402 1 5 . 1 1 38 38 PHE C C 38 175.480 175.480 173.899 1.581 18710 1403 1 5 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.488 0.250 18710 1404 1 5 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.950 0.830 18710 1405 1 5 . 1 1 38 38 PHE H H 38 9.072 9.072 8.412 0.660 18710 1406 1 5 . 1 1 39 39 TYR N N 39 122.666 122.666 119.829 2.837 18710 1407 1 5 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.044 -0.256 18710 1408 1 5 . 1 1 39 39 TYR C C 39 176.738 176.738 175.745 0.993 18710 1409 1 5 . 1 1 39 39 TYR CA C 39 58.938 58.938 57.981 0.957 18710 1410 1 5 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.229 1.031 18710 1411 1 5 . 1 1 39 39 TYR H H 39 9.002 9.002 8.777 0.225 18710 1412 1 5 . 1 1 40 40 ASP N N 40 123.525 123.525 124.479 -0.954 18710 1413 1 5 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.779 -0.091 18710 1414 1 5 . 1 1 40 40 ASP C C 40 178.719 178.719 177.378 1.341 18710 1415 1 5 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.332 -0.102 18710 1416 1 5 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.985 -1.021 18710 1417 1 5 . 1 1 40 40 ASP H H 40 8.707 8.707 8.064 0.643 18710 1418 1 5 . 1 1 41 41 GLU N N 41 118.054 118.054 119.994 -1.940 18710 1419 1 5 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.161 -0.012 18710 1420 1 5 . 1 1 41 41 GLU C C 41 177.487 177.487 176.845 0.642 18710 1421 1 5 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.238 -0.318 18710 1422 1 5 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.277 -0.624 18710 1423 1 5 . 1 1 41 41 GLU H H 41 9.098 9.098 8.911 0.187 18710 1424 1 5 . 1 1 42 42 LYS N N 42 120.287 120.287 117.112 3.175 18710 1425 1 5 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.484 -0.113 18710 1426 1 5 . 1 1 42 42 LYS C C 42 175.319 175.319 175.635 -0.316 18710 1427 1 5 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.572 -0.185 18710 1428 1 5 . 1 1 42 42 LYS CB C 42 31.935 31.935 32.026 -0.091 18710 1429 1 5 . 1 1 42 42 LYS H H 42 8.104 8.104 7.899 0.205 18710 1430 1 5 . 1 1 43 43 ARG N N 43 113.150 113.150 116.945 -3.795 18710 1431 1 5 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.110 -0.536 18710 1432 1 5 . 1 1 43 43 ARG C C 43 174.823 174.823 174.746 0.077 18710 1433 1 5 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.562 -0.443 18710 1434 1 5 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.767 -3.183 18710 1435 1 5 . 1 1 43 43 ARG H H 43 8.305 8.305 7.753 0.552 18710 1436 1 5 . 1 1 44 44 ASN N N 44 118.284 118.284 114.764 3.520 18710 1437 1 5 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.797 0.157 18710 1438 1 5 . 1 1 44 44 ASN C C 44 174.806 174.806 174.973 -0.167 18710 1439 1 5 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.043 0.610 18710 1440 1 5 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.744 -0.663 18710 1441 1 5 . 1 1 44 44 ASN H H 44 8.771 8.771 8.020 0.751 18710 1442 1 5 . 1 1 45 45 LEU N N 45 126.852 126.852 123.764 3.088 18710 1443 1 5 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.298 -0.258 18710 1444 1 5 . 1 1 45 45 LEU C C 45 175.554 175.554 176.225 -0.671 18710 1445 1 5 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.566 0.464 18710 1446 1 5 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.694 2.161 18710 1447 1 5 . 1 1 45 45 LEU H H 45 8.740 8.740 8.510 0.230 18710 1448 1 5 . 1 1 46 46 GLN N N 46 120.892 120.892 121.428 -0.536 18710 1449 1 5 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.479 0.161 18710 1450 1 5 . 1 1 46 46 GLN C C 46 174.603 174.603 175.175 -0.572 18710 1451 1 5 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.453 0.344 18710 1452 1 5 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.394 2.006 18710 1453 1 5 . 1 1 46 46 GLN H H 46 8.462 8.462 8.386 0.076 18710 1454 1 5 . 1 1 47 47 CYS N N 47 122.189 122.189 124.536 -2.347 18710 1455 1 5 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.262 0.492 18710 1456 1 5 . 1 1 47 47 CYS C C 47 171.892 171.892 174.498 -2.606 18710 1457 1 5 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.943 -4.932 18710 1458 1 5 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.351 12.712 18710 1459 1 5 . 1 1 47 47 CYS H H 47 9.292 9.292 8.917 0.375 18710 1460 1 5 . 1 1 48 48 ILE N N 48 129.091 129.091 126.445 2.646 18710 1461 1 5 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.671 -0.401 18710 1462 1 5 . 1 1 48 48 ILE C C 48 175.922 175.922 175.446 0.476 18710 1463 1 5 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.298 0.033 18710 1464 1 5 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.530 -1.567 18710 1465 1 5 . 1 1 48 48 ILE H H 48 8.724 8.724 8.971 -0.247 18710 1466 1 5 . 1 1 49 49 CYS N N 49 126.727 126.727 128.326 -1.599 18710 1467 1 5 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.287 0.941 18710 1468 1 5 . 1 1 49 49 CYS C C 49 172.511 172.511 173.423 -0.912 18710 1469 1 5 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.733 -8.143 18710 1470 1 5 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.744 8.790 18710 1471 1 5 . 1 1 49 49 CYS H H 49 8.457 8.457 8.777 -0.320 18710 1472 1 5 . 1 1 50 50 ASP N N 50 122.574 122.574 125.259 -2.685 18710 1473 1 5 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.747 0.763 18710 1474 1 5 . 1 1 50 50 ASP C C 50 176.217 176.217 174.784 1.433 18710 1475 1 5 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.385 -0.302 18710 1476 1 5 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.931 0.939 18710 1477 1 5 . 1 1 50 50 ASP H H 50 8.896 8.896 8.541 0.355 18710 1478 1 5 . 1 1 51 51 TYR N N 51 125.641 125.641 121.685 3.956 18710 1479 1 5 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.830 -0.714 18710 1480 1 5 . 1 1 51 51 TYR C C 51 175.491 175.491 175.140 0.351 18710 1481 1 5 . 1 1 51 51 TYR CA C 51 59.295 59.295 56.551 2.744 18710 1482 1 5 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.857 1.683 18710 1483 1 5 . 1 1 51 51 TYR H H 51 9.819 9.819 7.958 1.861 18710 1484 1 5 . 1 1 52 52 CYS N N 52 121.040 121.040 118.530 2.510 18710 1485 1 5 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.537 -0.165 18710 1486 1 5 . 1 1 52 52 CYS C C 52 173.129 173.129 173.792 -0.663 18710 1487 1 5 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.702 -3.677 18710 1488 1 5 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.624 13.617 18710 1489 1 5 . 1 1 52 52 CYS H H 52 9.700 9.700 7.751 1.949 18710 1490 1 5 . 1 1 53 53 GLU N N 53 121.628 121.628 122.914 -1.286 18710 1491 1 5 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.216 0.049 18710 1492 1 5 . 1 1 53 53 GLU C C 53 174.253 174.253 176.013 -1.760 18710 1493 1 5 . 1 1 53 53 GLU CA C 53 55.200 55.200 55.706 -0.506 18710 1494 1 5 . 1 1 53 53 GLU CB C 53 31.198 31.198 28.156 3.042 18710 1495 1 5 . 1 1 53 53 GLU H H 53 8.466 8.466 8.700 -0.234 18710 1496 1 6 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.013 0.233 18710 1497 1 6 . 1 1 3 3 LYS C C 3 176.970 176.970 177.573 -0.603 18710 1498 1 6 . 1 1 3 3 LYS CA C 3 57.314 57.314 59.316 -2.002 18710 1499 1 6 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.536 -0.025 18710 1500 1 6 . 1 1 4 4 CYS N N 4 117.663 117.663 114.236 3.427 18710 1501 1 6 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.403 0.211 18710 1502 1 6 . 1 1 4 4 CYS C C 4 174.336 174.336 175.580 -1.244 18710 1503 1 6 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.247 -1.966 18710 1504 1 6 . 1 1 4 4 CYS CB C 4 41.329 41.329 25.954 15.375 18710 1505 1 6 . 1 1 4 4 CYS H H 4 8.552 8.552 8.359 0.193 18710 1506 1 6 . 1 1 5 5 LYS N N 5 118.468 118.468 121.002 -2.534 18710 1507 1 6 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.607 0.912 18710 1508 1 6 . 1 1 5 5 LYS C C 5 176.806 176.806 175.797 1.009 18710 1509 1 6 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.168 -0.413 18710 1510 1 6 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.112 3.436 18710 1511 1 6 . 1 1 5 5 LYS H H 5 8.067 8.067 7.623 0.444 18710 1512 1 6 . 1 1 6 6 LYS N N 6 121.028 121.028 125.384 -4.356 18710 1513 1 6 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.604 0.112 18710 1514 1 6 . 1 1 6 6 LYS C C 6 176.149 176.149 174.315 1.834 18710 1515 1 6 . 1 1 6 6 LYS CA C 6 55.267 55.267 54.970 0.297 18710 1516 1 6 . 1 1 6 6 LYS CB C 6 36.779 36.779 35.949 0.830 18710 1517 1 6 . 1 1 6 6 LYS H H 6 9.043 9.043 8.681 0.362 18710 1518 1 6 . 1 1 7 7 VAL N N 7 128.686 128.686 122.871 5.815 18710 1519 1 6 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.241 -0.344 18710 1520 1 6 . 1 1 7 7 VAL C C 7 175.013 175.013 174.979 0.034 18710 1521 1 6 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.792 3.024 18710 1522 1 6 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.650 -0.508 18710 1523 1 6 . 1 1 7 7 VAL H H 7 8.991 8.991 8.433 0.558 18710 1524 1 6 . 1 1 8 8 TYR N N 8 129.909 129.909 125.951 3.958 18710 1525 1 6 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.869 -0.498 18710 1526 1 6 . 1 1 8 8 TYR C C 8 175.018 175.018 174.648 0.370 18710 1527 1 6 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.772 -1.385 18710 1528 1 6 . 1 1 8 8 TYR CB C 8 35.820 35.820 40.338 -4.518 18710 1529 1 6 . 1 1 8 8 TYR H H 8 9.265 9.265 7.916 1.349 18710 1530 1 6 . 1 1 9 9 GLU N N 9 131.262 131.262 125.145 6.117 18710 1531 1 6 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.811 0.300 18710 1532 1 6 . 1 1 9 9 GLU C C 9 177.071 177.071 177.096 -0.025 18710 1533 1 6 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.350 0.809 18710 1534 1 6 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.879 -0.791 18710 1535 1 6 . 1 1 9 9 GLU H H 9 9.217 9.217 8.646 0.571 18710 1536 1 6 . 1 1 10 10 ASN N N 10 115.995 115.995 115.541 0.454 18710 1537 1 6 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.447 -0.093 18710 1538 1 6 . 1 1 10 10 ASN C C 10 174.465 174.465 174.535 -0.070 18710 1539 1 6 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.306 -0.805 18710 1540 1 6 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.697 -0.625 18710 1541 1 6 . 1 1 10 10 ASN H H 10 9.445 9.445 8.468 0.977 18710 1542 1 6 . 1 1 11 11 TYR N N 11 122.981 122.981 117.912 5.069 18710 1543 1 6 . 1 1 11 11 TYR HA H 11 4.108 4.108 4.960 -0.852 18710 1544 1 6 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.113 3.282 18710 1545 1 6 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.073 1.227 18710 1546 1 6 . 1 1 11 11 TYR H H 11 7.533 7.533 7.833 -0.300 18710 1547 1 6 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.231 0.177 18710 1548 1 6 . 1 1 12 12 PRO C C 12 176.771 176.771 177.712 -0.941 18710 1549 1 6 . 1 1 12 12 PRO CA C 12 62.008 62.008 62.243 -0.235 18710 1550 1 6 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.389 -2.071 18710 1551 1 6 . 1 1 13 13 VAL N N 13 124.171 124.171 115.600 8.571 18710 1552 1 6 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.832 -0.048 18710 1553 1 6 . 1 1 13 13 VAL C C 13 178.748 178.748 177.439 1.309 18710 1554 1 6 . 1 1 13 13 VAL CA C 13 65.650 65.650 64.883 0.767 18710 1555 1 6 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.656 -0.191 18710 1556 1 6 . 1 1 13 13 VAL H H 13 8.195 8.195 8.336 -0.141 18710 1557 1 6 . 1 1 14 14 SER N N 14 118.320 118.320 116.356 1.964 18710 1558 1 6 . 1 1 14 14 SER HA H 14 4.092 4.092 4.147 -0.055 18710 1559 1 6 . 1 1 14 14 SER C C 14 177.862 177.862 176.609 1.253 18710 1560 1 6 . 1 1 14 14 SER CA C 14 61.300 61.300 61.635 -0.334 18710 1561 1 6 . 1 1 14 14 SER CB C 14 61.302 61.302 62.395 -1.093 18710 1562 1 6 . 1 1 14 14 SER H H 14 8.577 8.577 8.152 0.425 18710 1563 1 6 . 1 1 15 15 LYS N N 15 121.997 121.997 119.673 2.324 18710 1564 1 6 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.353 -0.350 18710 1565 1 6 . 1 1 15 15 LYS C C 15 178.744 178.744 177.937 0.807 18710 1566 1 6 . 1 1 15 15 LYS CA C 15 59.710 59.710 57.679 2.031 18710 1567 1 6 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.204 -0.817 18710 1568 1 6 . 1 1 15 15 LYS H H 15 7.886 7.886 7.849 0.037 18710 1569 1 6 . 1 1 16 16 CYS N N 16 115.824 115.824 119.740 -3.916 18710 1570 1 6 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.471 0.229 18710 1571 1 6 . 1 1 16 16 CYS C C 16 175.843 175.843 176.367 -0.524 18710 1572 1 6 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.489 -2.437 18710 1573 1 6 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.486 14.927 18710 1574 1 6 . 1 1 16 16 CYS H H 16 7.848 7.848 8.190 -0.342 18710 1575 1 6 . 1 1 17 17 GLN N N 17 115.165 115.165 117.574 -2.409 18710 1576 1 6 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.097 0.055 18710 1577 1 6 . 1 1 17 17 GLN C C 17 175.310 175.310 176.493 -1.183 18710 1578 1 6 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.706 -1.457 18710 1579 1 6 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.947 -0.291 18710 1580 1 6 . 1 1 17 17 GLN H H 17 7.398 7.398 7.902 -0.504 18710 1581 1 6 . 1 1 18 18 LEU N N 18 121.702 121.702 119.384 2.318 18710 1582 1 6 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.593 -0.110 18710 1583 1 6 . 1 1 18 18 LEU C C 18 176.211 176.211 176.486 -0.275 18710 1584 1 6 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.359 0.010 18710 1585 1 6 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.999 -0.821 18710 1586 1 6 . 1 1 18 18 LEU H H 18 7.354 7.354 8.070 -0.716 18710 1587 1 6 . 1 1 19 19 ALA N N 19 128.501 128.501 128.082 0.419 18710 1588 1 6 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.919 0.156 18710 1589 1 6 . 1 1 19 19 ALA C C 19 179.107 179.107 177.819 1.288 18710 1590 1 6 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.733 -0.835 18710 1591 1 6 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.757 -0.758 18710 1592 1 6 . 1 1 19 19 ALA H H 19 8.735 8.735 8.904 -0.169 18710 1593 1 6 . 1 1 20 20 ASN N N 20 116.786 116.786 113.217 3.569 18710 1594 1 6 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.582 -0.004 18710 1595 1 6 . 1 1 20 20 ASN C C 20 174.900 174.900 176.535 -1.635 18710 1596 1 6 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.485 0.653 18710 1597 1 6 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.851 1.472 18710 1598 1 6 . 1 1 20 20 ASN H H 20 9.284 9.284 8.097 1.187 18710 1599 1 6 . 1 1 21 21 GLN N N 21 123.178 123.178 121.569 1.609 18710 1600 1 6 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.097 -0.320 18710 1601 1 6 . 1 1 21 21 GLN C C 21 176.327 176.327 177.334 -1.007 18710 1602 1 6 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.600 0.869 18710 1603 1 6 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.710 0.728 18710 1604 1 6 . 1 1 21 21 GLN H H 21 7.696 7.696 8.585 -0.889 18710 1605 1 6 . 1 1 22 22 CYS N N 22 119.327 119.327 118.577 0.750 18710 1606 1 6 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.268 -0.014 18710 1607 1 6 . 1 1 22 22 CYS C C 22 175.955 175.955 177.284 -1.329 18710 1608 1 6 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.166 -4.774 18710 1609 1 6 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.098 12.476 18710 1610 1 6 . 1 1 22 22 CYS H H 22 8.495 8.495 7.876 0.619 18710 1611 1 6 . 1 1 23 23 ASN N N 23 119.489 119.489 117.566 1.923 18710 1612 1 6 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.433 -0.668 18710 1613 1 6 . 1 1 23 23 ASN C C 23 175.773 175.773 177.811 -2.038 18710 1614 1 6 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.234 1.631 18710 1615 1 6 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.363 1.898 18710 1616 1 6 . 1 1 23 23 ASN H H 23 8.224 8.224 8.371 -0.147 18710 1617 1 6 . 1 1 24 24 TYR N N 24 118.459 118.459 121.005 -2.546 18710 1618 1 6 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.120 -0.294 18710 1619 1 6 . 1 1 24 24 TYR C C 24 178.310 178.310 178.297 0.013 18710 1620 1 6 . 1 1 24 24 TYR CA C 24 61.740 61.740 61.987 -0.247 18710 1621 1 6 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.041 0.529 18710 1622 1 6 . 1 1 24 24 TYR H H 24 8.296 8.296 7.801 0.495 18710 1623 1 6 . 1 1 25 25 ASP N N 25 119.944 119.944 119.598 0.346 18710 1624 1 6 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.444 0.160 18710 1625 1 6 . 1 1 25 25 ASP C C 25 179.719 179.719 179.141 0.578 18710 1626 1 6 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.370 0.234 18710 1627 1 6 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.318 0.066 18710 1628 1 6 . 1 1 25 25 ASP H H 25 9.105 9.105 8.566 0.539 18710 1629 1 6 . 1 1 26 26 CYS N N 26 120.503 120.503 119.481 1.022 18710 1630 1 6 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.488 -0.411 18710 1631 1 6 . 1 1 26 26 CYS C C 26 177.789 177.789 177.901 -0.112 18710 1632 1 6 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.505 -1.977 18710 1633 1 6 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.600 10.040 18710 1634 1 6 . 1 1 26 26 CYS H H 26 9.403 9.403 9.203 0.200 18710 1635 1 6 . 1 1 27 27 LYS N N 27 119.866 119.866 120.191 -0.325 18710 1636 1 6 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.181 -0.178 18710 1637 1 6 . 1 1 27 27 LYS C C 27 177.792 177.792 179.035 -1.243 18710 1638 1 6 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.290 0.420 18710 1639 1 6 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.562 -0.360 18710 1640 1 6 . 1 1 27 27 LYS H H 27 7.652 7.652 8.449 -0.797 18710 1641 1 6 . 1 1 28 28 LEU N N 28 119.921 119.921 119.623 0.298 18710 1642 1 6 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.939 0.082 18710 1643 1 6 . 1 1 28 28 LEU C C 28 178.369 178.369 177.631 0.738 18710 1644 1 6 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.957 0.544 18710 1645 1 6 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.993 0.278 18710 1646 1 6 . 1 1 28 28 LEU H H 28 8.129 8.129 8.334 -0.205 18710 1647 1 6 . 1 1 29 29 ASP N N 29 117.215 117.215 117.441 -0.226 18710 1648 1 6 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.490 -0.107 18710 1649 1 6 . 1 1 29 29 ASP C C 29 178.274 178.274 176.940 1.334 18710 1650 1 6 . 1 1 29 29 ASP CA C 29 56.076 56.076 55.999 0.077 18710 1651 1 6 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.284 -0.924 18710 1652 1 6 . 1 1 29 29 ASP H H 29 9.053 9.053 8.357 0.696 18710 1653 1 6 . 1 1 30 30 LYS N N 30 111.912 111.912 115.426 -3.514 18710 1654 1 6 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.398 0.047 18710 1655 1 6 . 1 1 30 30 LYS C C 30 176.629 176.629 176.351 0.278 18710 1656 1 6 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.894 -1.915 18710 1657 1 6 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.362 -1.684 18710 1658 1 6 . 1 1 30 30 LYS H H 30 6.601 6.601 7.636 -1.035 18710 1659 1 6 . 1 1 31 31 HIS N N 31 112.584 112.584 115.092 -2.508 18710 1660 1 6 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.378 0.182 18710 1661 1 6 . 1 1 31 31 HIS C C 31 174.202 174.202 173.936 0.266 18710 1662 1 6 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.759 -0.625 18710 1663 1 6 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.185 -0.575 18710 1664 1 6 . 1 1 31 31 HIS H H 31 6.937 6.937 7.673 -0.736 18710 1665 1 6 . 1 1 32 32 ALA N N 32 120.390 120.390 121.426 -1.036 18710 1666 1 6 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.250 -0.197 18710 1667 1 6 . 1 1 32 32 ALA C C 32 175.340 175.340 176.541 -1.201 18710 1668 1 6 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.771 -1.163 18710 1669 1 6 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.338 -2.426 18710 1670 1 6 . 1 1 32 32 ALA H H 32 7.639 7.639 8.113 -0.474 18710 1671 1 6 . 1 1 33 33 ARG N N 33 116.855 116.855 117.439 -0.584 18710 1672 1 6 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.540 -0.449 18710 1673 1 6 . 1 1 33 33 ARG C C 33 176.630 176.630 178.291 -1.661 18710 1674 1 6 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.563 -0.625 18710 1675 1 6 . 1 1 33 33 ARG CB C 33 30.555 30.555 32.077 -1.522 18710 1676 1 6 . 1 1 33 33 ARG H H 33 8.270 8.270 8.042 0.228 18710 1677 1 6 . 1 1 34 34 SER N N 34 109.872 109.872 113.209 -3.337 18710 1678 1 6 . 1 1 34 34 SER HA H 34 4.563 4.563 4.544 0.019 18710 1679 1 6 . 1 1 34 34 SER C C 34 173.047 173.047 174.713 -1.666 18710 1680 1 6 . 1 1 34 34 SER CA C 34 57.747 57.747 58.156 -0.409 18710 1681 1 6 . 1 1 34 34 SER CB C 34 65.477 65.477 65.057 0.420 18710 1682 1 6 . 1 1 34 34 SER H H 34 8.073 8.073 7.936 0.137 18710 1683 1 6 . 1 1 35 35 GLY N N 35 107.697 107.697 111.900 -4.203 18710 1684 1 6 . 1 1 35 35 GLY C C 35 170.741 170.741 174.343 -3.602 18710 1685 1 6 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.388 0.530 18710 1686 1 6 . 1 1 35 35 GLY H H 35 8.869 8.869 8.377 0.492 18710 1687 1 6 . 1 1 36 36 GLU N N 36 118.971 118.971 119.482 -0.511 18710 1688 1 6 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.476 -0.324 18710 1689 1 6 . 1 1 36 36 GLU C C 36 173.995 173.995 176.188 -2.193 18710 1690 1 6 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.615 -0.124 18710 1691 1 6 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.298 -0.024 18710 1692 1 6 . 1 1 36 36 GLU H H 36 8.226 8.226 8.000 0.226 18710 1693 1 6 . 1 1 37 37 CYS N N 37 120.679 120.679 120.682 -0.003 18710 1694 1 6 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.016 1.098 18710 1695 1 6 . 1 1 37 37 CYS C C 37 173.692 173.692 174.568 -0.876 18710 1696 1 6 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.825 -2.509 18710 1697 1 6 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.328 17.610 18710 1698 1 6 . 1 1 37 37 CYS H H 37 8.851 8.851 8.606 0.245 18710 1699 1 6 . 1 1 38 38 PHE N N 38 120.484 120.484 119.575 0.909 18710 1700 1 6 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.725 -0.050 18710 1701 1 6 . 1 1 38 38 PHE C C 38 175.480 175.480 173.903 1.577 18710 1702 1 6 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.507 0.231 18710 1703 1 6 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.926 0.854 18710 1704 1 6 . 1 1 38 38 PHE H H 38 9.072 9.072 8.429 0.643 18710 1705 1 6 . 1 1 39 39 TYR N N 39 122.666 122.666 119.839 2.827 18710 1706 1 6 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.078 -0.290 18710 1707 1 6 . 1 1 39 39 TYR C C 39 176.738 176.738 175.777 0.961 18710 1708 1 6 . 1 1 39 39 TYR CA C 39 58.938 58.938 57.961 0.977 18710 1709 1 6 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.270 0.990 18710 1710 1 6 . 1 1 39 39 TYR H H 39 9.002 9.002 8.785 0.217 18710 1711 1 6 . 1 1 40 40 ASP N N 40 123.525 123.525 124.085 -0.560 18710 1712 1 6 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.833 -0.145 18710 1713 1 6 . 1 1 40 40 ASP C C 40 178.719 178.719 176.904 1.815 18710 1714 1 6 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.305 -0.075 18710 1715 1 6 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.936 -0.972 18710 1716 1 6 . 1 1 40 40 ASP H H 40 8.707 8.707 8.077 0.630 18710 1717 1 6 . 1 1 41 41 GLU N N 41 118.054 118.054 120.959 -2.905 18710 1718 1 6 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.084 0.065 18710 1719 1 6 . 1 1 41 41 GLU C C 41 177.487 177.487 176.740 0.747 18710 1720 1 6 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.373 -0.454 18710 1721 1 6 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.885 -1.232 18710 1722 1 6 . 1 1 41 41 GLU H H 41 9.098 9.098 8.925 0.173 18710 1723 1 6 . 1 1 42 42 LYS N N 42 120.287 120.287 116.960 3.327 18710 1724 1 6 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.396 -0.025 18710 1725 1 6 . 1 1 42 42 LYS C C 42 175.319 175.319 175.596 -0.277 18710 1726 1 6 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.734 -0.347 18710 1727 1 6 . 1 1 42 42 LYS CB C 42 31.935 31.935 31.933 0.002 18710 1728 1 6 . 1 1 42 42 LYS H H 42 8.104 8.104 7.987 0.117 18710 1729 1 6 . 1 1 43 43 ARG N N 43 113.150 113.150 116.322 -3.172 18710 1730 1 6 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.190 -0.616 18710 1731 1 6 . 1 1 43 43 ARG C C 43 174.823 174.823 174.662 0.161 18710 1732 1 6 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.060 0.059 18710 1733 1 6 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.478 -2.894 18710 1734 1 6 . 1 1 43 43 ARG H H 43 8.305 8.305 7.889 0.416 18710 1735 1 6 . 1 1 44 44 ASN N N 44 118.284 118.284 115.386 2.898 18710 1736 1 6 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.783 0.171 18710 1737 1 6 . 1 1 44 44 ASN C C 44 174.806 174.806 174.933 -0.127 18710 1738 1 6 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.037 0.616 18710 1739 1 6 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.475 -0.394 18710 1740 1 6 . 1 1 44 44 ASN H H 44 8.771 8.771 7.834 0.937 18710 1741 1 6 . 1 1 45 45 LEU N N 45 126.852 126.852 123.541 3.311 18710 1742 1 6 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.358 -0.318 18710 1743 1 6 . 1 1 45 45 LEU C C 45 175.554 175.554 176.255 -0.701 18710 1744 1 6 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.540 0.490 18710 1745 1 6 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.808 2.047 18710 1746 1 6 . 1 1 45 45 LEU H H 45 8.740 8.740 8.511 0.229 18710 1747 1 6 . 1 1 46 46 GLN N N 46 120.892 120.892 121.458 -0.566 18710 1748 1 6 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.532 0.108 18710 1749 1 6 . 1 1 46 46 GLN C C 46 174.603 174.603 175.155 -0.552 18710 1750 1 6 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.495 0.302 18710 1751 1 6 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.490 1.910 18710 1752 1 6 . 1 1 46 46 GLN H H 46 8.462 8.462 8.356 0.106 18710 1753 1 6 . 1 1 47 47 CYS N N 47 122.189 122.189 124.541 -2.352 18710 1754 1 6 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.283 0.471 18710 1755 1 6 . 1 1 47 47 CYS C C 47 171.892 171.892 174.574 -2.682 18710 1756 1 6 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.938 -4.927 18710 1757 1 6 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.341 12.722 18710 1758 1 6 . 1 1 47 47 CYS H H 47 9.292 9.292 8.990 0.302 18710 1759 1 6 . 1 1 48 48 ILE N N 48 129.091 129.091 126.516 2.575 18710 1760 1 6 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.619 -0.349 18710 1761 1 6 . 1 1 48 48 ILE C C 48 175.922 175.922 175.422 0.500 18710 1762 1 6 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.402 -0.071 18710 1763 1 6 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.389 -1.426 18710 1764 1 6 . 1 1 48 48 ILE H H 48 8.724 8.724 9.050 -0.326 18710 1765 1 6 . 1 1 49 49 CYS N N 49 126.727 126.727 128.659 -1.932 18710 1766 1 6 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.292 0.936 18710 1767 1 6 . 1 1 49 49 CYS C C 49 172.511 172.511 173.521 -1.010 18710 1768 1 6 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.364 -7.774 18710 1769 1 6 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.620 8.914 18710 1770 1 6 . 1 1 49 49 CYS H H 49 8.457 8.457 8.755 -0.298 18710 1771 1 6 . 1 1 50 50 ASP N N 50 122.574 122.574 125.371 -2.797 18710 1772 1 6 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.768 0.742 18710 1773 1 6 . 1 1 50 50 ASP C C 50 176.217 176.217 174.758 1.459 18710 1774 1 6 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.319 -0.236 18710 1775 1 6 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.782 1.088 18710 1776 1 6 . 1 1 50 50 ASP H H 50 8.896 8.896 8.503 0.393 18710 1777 1 6 . 1 1 51 51 TYR N N 51 125.641 125.641 122.530 3.111 18710 1778 1 6 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.628 -0.512 18710 1779 1 6 . 1 1 51 51 TYR C C 51 175.491 175.491 174.557 0.934 18710 1780 1 6 . 1 1 51 51 TYR CA C 51 59.295 59.295 57.719 1.576 18710 1781 1 6 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.687 1.853 18710 1782 1 6 . 1 1 51 51 TYR H H 51 9.819 9.819 7.561 2.258 18710 1783 1 6 . 1 1 52 52 CYS N N 52 121.040 121.040 117.325 3.715 18710 1784 1 6 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.541 -0.169 18710 1785 1 6 . 1 1 52 52 CYS C C 52 173.129 173.129 173.834 -0.705 18710 1786 1 6 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.296 -3.271 18710 1787 1 6 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.473 13.768 18710 1788 1 6 . 1 1 52 52 CYS H H 52 9.700 9.700 7.587 2.113 18710 1789 1 6 . 1 1 53 53 GLU N N 53 121.628 121.628 122.261 -0.633 18710 1790 1 6 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.654 -0.389 18710 1791 1 6 . 1 1 53 53 GLU C C 53 174.253 174.253 175.821 -1.568 18710 1792 1 6 . 1 1 53 53 GLU CA C 53 55.200 55.200 56.278 -1.078 18710 1793 1 6 . 1 1 53 53 GLU CB C 53 31.198 31.198 28.153 3.045 18710 1794 1 6 . 1 1 53 53 GLU H H 53 8.466 8.466 8.710 -0.244 18710 1795 1 7 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.039 0.207 18710 1796 1 7 . 1 1 3 3 LYS C C 3 176.970 176.970 177.898 -0.928 18710 1797 1 7 . 1 1 3 3 LYS CA C 3 57.314 57.314 59.766 -2.452 18710 1798 1 7 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.282 0.229 18710 1799 1 7 . 1 1 4 4 CYS N N 4 117.663 117.663 113.988 3.675 18710 1800 1 7 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.436 0.178 18710 1801 1 7 . 1 1 4 4 CYS C C 4 174.336 174.336 175.543 -1.207 18710 1802 1 7 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.475 -2.194 18710 1803 1 7 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.000 15.329 18710 1804 1 7 . 1 1 4 4 CYS H H 4 8.552 8.552 8.454 0.098 18710 1805 1 7 . 1 1 5 5 LYS N N 5 118.468 118.468 120.977 -2.509 18710 1806 1 7 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.480 1.039 18710 1807 1 7 . 1 1 5 5 LYS C C 5 176.806 176.806 175.762 1.044 18710 1808 1 7 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.239 -0.484 18710 1809 1 7 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.104 3.444 18710 1810 1 7 . 1 1 5 5 LYS H H 5 8.067 8.067 7.650 0.417 18710 1811 1 7 . 1 1 6 6 LYS N N 6 121.028 121.028 125.499 -4.471 18710 1812 1 7 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.641 0.075 18710 1813 1 7 . 1 1 6 6 LYS C C 6 176.149 176.149 174.792 1.357 18710 1814 1 7 . 1 1 6 6 LYS CA C 6 55.267 55.267 55.031 0.236 18710 1815 1 7 . 1 1 6 6 LYS CB C 6 36.779 36.779 36.052 0.727 18710 1816 1 7 . 1 1 6 6 LYS H H 6 9.043 9.043 8.360 0.683 18710 1817 1 7 . 1 1 7 7 VAL N N 7 128.686 128.686 121.812 6.874 18710 1818 1 7 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.233 -0.336 18710 1819 1 7 . 1 1 7 7 VAL C C 7 175.013 175.013 175.394 -0.381 18710 1820 1 7 . 1 1 7 7 VAL CA C 7 63.816 63.816 61.496 2.320 18710 1821 1 7 . 1 1 7 7 VAL CB C 7 33.142 33.142 32.708 0.434 18710 1822 1 7 . 1 1 7 7 VAL H H 7 8.991 8.991 8.500 0.491 18710 1823 1 7 . 1 1 8 8 TYR N N 8 129.909 129.909 125.572 4.337 18710 1824 1 7 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.856 -0.485 18710 1825 1 7 . 1 1 8 8 TYR C C 8 175.018 175.018 174.574 0.444 18710 1826 1 7 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.833 -1.446 18710 1827 1 7 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.622 -3.802 18710 1828 1 7 . 1 1 8 8 TYR H H 8 9.265 9.265 7.954 1.311 18710 1829 1 7 . 1 1 9 9 GLU N N 9 131.262 131.262 125.295 5.967 18710 1830 1 7 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.766 0.345 18710 1831 1 7 . 1 1 9 9 GLU C C 9 177.071 177.071 177.072 -0.001 18710 1832 1 7 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.230 0.929 18710 1833 1 7 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.909 -0.821 18710 1834 1 7 . 1 1 9 9 GLU H H 9 9.217 9.217 8.612 0.605 18710 1835 1 7 . 1 1 10 10 ASN N N 10 115.995 115.995 115.607 0.388 18710 1836 1 7 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.454 -0.100 18710 1837 1 7 . 1 1 10 10 ASN C C 10 174.465 174.465 174.569 -0.104 18710 1838 1 7 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.336 -0.835 18710 1839 1 7 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.628 -0.556 18710 1840 1 7 . 1 1 10 10 ASN H H 10 9.445 9.445 8.505 0.940 18710 1841 1 7 . 1 1 11 11 TYR N N 11 122.981 122.981 118.233 4.748 18710 1842 1 7 . 1 1 11 11 TYR HA H 11 4.108 4.108 4.962 -0.854 18710 1843 1 7 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.226 3.169 18710 1844 1 7 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.169 1.131 18710 1845 1 7 . 1 1 11 11 TYR H H 11 7.533 7.533 8.007 -0.474 18710 1846 1 7 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.214 0.194 18710 1847 1 7 . 1 1 12 12 PRO C C 12 176.771 176.771 177.606 -0.835 18710 1848 1 7 . 1 1 12 12 PRO CA C 12 62.008 62.008 62.100 -0.092 18710 1849 1 7 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.392 -2.074 18710 1850 1 7 . 1 1 13 13 VAL N N 13 124.171 124.171 115.316 8.855 18710 1851 1 7 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.800 -0.016 18710 1852 1 7 . 1 1 13 13 VAL C C 13 178.748 178.748 177.350 1.398 18710 1853 1 7 . 1 1 13 13 VAL CA C 13 65.650 65.650 64.834 0.816 18710 1854 1 7 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.625 -0.160 18710 1855 1 7 . 1 1 13 13 VAL H H 13 8.195 8.195 8.312 -0.117 18710 1856 1 7 . 1 1 14 14 SER N N 14 118.320 118.320 115.926 2.394 18710 1857 1 7 . 1 1 14 14 SER HA H 14 4.092 4.092 4.141 -0.049 18710 1858 1 7 . 1 1 14 14 SER C C 14 177.862 177.862 176.875 0.987 18710 1859 1 7 . 1 1 14 14 SER CA C 14 61.300 61.300 61.578 -0.279 18710 1860 1 7 . 1 1 14 14 SER CB C 14 61.302 61.302 62.159 -0.857 18710 1861 1 7 . 1 1 14 14 SER H H 14 8.577 8.577 8.225 0.352 18710 1862 1 7 . 1 1 15 15 LYS N N 15 121.997 121.997 119.904 2.093 18710 1863 1 7 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.334 -0.331 18710 1864 1 7 . 1 1 15 15 LYS C C 15 178.744 178.744 178.000 0.744 18710 1865 1 7 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.377 1.333 18710 1866 1 7 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.598 -1.211 18710 1867 1 7 . 1 1 15 15 LYS H H 15 7.886 7.886 7.734 0.152 18710 1868 1 7 . 1 1 16 16 CYS N N 16 115.824 115.824 119.839 -4.015 18710 1869 1 7 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.396 0.304 18710 1870 1 7 . 1 1 16 16 CYS C C 16 175.843 175.843 176.218 -0.375 18710 1871 1 7 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.551 -2.499 18710 1872 1 7 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.438 14.975 18710 1873 1 7 . 1 1 16 16 CYS H H 16 7.848 7.848 8.214 -0.366 18710 1874 1 7 . 1 1 17 17 GLN N N 17 115.165 115.165 117.376 -2.211 18710 1875 1 7 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.083 0.069 18710 1876 1 7 . 1 1 17 17 GLN C C 17 175.310 175.310 176.406 -1.096 18710 1877 1 7 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.575 -1.326 18710 1878 1 7 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.803 -0.147 18710 1879 1 7 . 1 1 17 17 GLN H H 17 7.398 7.398 7.967 -0.569 18710 1880 1 7 . 1 1 18 18 LEU N N 18 121.702 121.702 119.223 2.479 18710 1881 1 7 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.607 -0.124 18710 1882 1 7 . 1 1 18 18 LEU C C 18 176.211 176.211 176.517 -0.306 18710 1883 1 7 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.309 0.060 18710 1884 1 7 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.953 -0.775 18710 1885 1 7 . 1 1 18 18 LEU H H 18 7.354 7.354 8.062 -0.708 18710 1886 1 7 . 1 1 19 19 ALA N N 19 128.501 128.501 127.897 0.604 18710 1887 1 7 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.902 0.173 18710 1888 1 7 . 1 1 19 19 ALA C C 19 179.107 179.107 177.827 1.280 18710 1889 1 7 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.703 -0.805 18710 1890 1 7 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.769 -0.770 18710 1891 1 7 . 1 1 19 19 ALA H H 19 8.735 8.735 8.863 -0.128 18710 1892 1 7 . 1 1 20 20 ASN N N 20 116.786 116.786 113.076 3.710 18710 1893 1 7 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.585 -0.007 18710 1894 1 7 . 1 1 20 20 ASN C C 20 174.900 174.900 176.512 -1.612 18710 1895 1 7 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.432 0.706 18710 1896 1 7 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.868 1.455 18710 1897 1 7 . 1 1 20 20 ASN H H 20 9.284 9.284 8.113 1.171 18710 1898 1 7 . 1 1 21 21 GLN N N 21 123.178 123.178 121.462 1.716 18710 1899 1 7 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.095 -0.318 18710 1900 1 7 . 1 1 21 21 GLN C C 21 176.327 176.327 177.338 -1.011 18710 1901 1 7 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.713 0.756 18710 1902 1 7 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.791 0.647 18710 1903 1 7 . 1 1 21 21 GLN H H 21 7.696 7.696 8.546 -0.850 18710 1904 1 7 . 1 1 22 22 CYS N N 22 119.327 119.327 119.006 0.321 18710 1905 1 7 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.317 -0.063 18710 1906 1 7 . 1 1 22 22 CYS C C 22 175.955 175.955 177.302 -1.347 18710 1907 1 7 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.548 -5.156 18710 1908 1 7 . 1 1 22 22 CYS CB C 22 38.574 38.574 25.864 12.710 18710 1909 1 7 . 1 1 22 22 CYS H H 22 8.495 8.495 7.939 0.556 18710 1910 1 7 . 1 1 23 23 ASN N N 23 119.489 119.489 118.352 1.137 18710 1911 1 7 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.434 -0.669 18710 1912 1 7 . 1 1 23 23 ASN C C 23 175.773 175.773 177.560 -1.787 18710 1913 1 7 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.374 1.491 18710 1914 1 7 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.194 2.067 18710 1915 1 7 . 1 1 23 23 ASN H H 23 8.224 8.224 8.637 -0.413 18710 1916 1 7 . 1 1 24 24 TYR N N 24 118.459 118.459 121.081 -2.622 18710 1917 1 7 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.118 -0.292 18710 1918 1 7 . 1 1 24 24 TYR C C 24 178.310 178.310 178.258 0.052 18710 1919 1 7 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.016 -0.276 18710 1920 1 7 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.057 0.513 18710 1921 1 7 . 1 1 24 24 TYR H H 24 8.296 8.296 7.786 0.510 18710 1922 1 7 . 1 1 25 25 ASP N N 25 119.944 119.944 119.466 0.478 18710 1923 1 7 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.425 0.179 18710 1924 1 7 . 1 1 25 25 ASP C C 25 179.719 179.719 179.065 0.654 18710 1925 1 7 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.248 0.356 18710 1926 1 7 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.231 0.153 18710 1927 1 7 . 1 1 25 25 ASP H H 25 9.105 9.105 8.446 0.659 18710 1928 1 7 . 1 1 26 26 CYS N N 26 120.503 120.503 119.929 0.574 18710 1929 1 7 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.402 -0.325 18710 1930 1 7 . 1 1 26 26 CYS C C 26 177.789 177.789 177.621 0.168 18710 1931 1 7 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.833 -2.305 18710 1932 1 7 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.674 9.966 18710 1933 1 7 . 1 1 26 26 CYS H H 26 9.403 9.403 9.227 0.176 18710 1934 1 7 . 1 1 27 27 LYS N N 27 119.866 119.866 119.730 0.136 18710 1935 1 7 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.128 -0.125 18710 1936 1 7 . 1 1 27 27 LYS C C 27 177.792 177.792 179.247 -1.455 18710 1937 1 7 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.413 0.297 18710 1938 1 7 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.482 -0.280 18710 1939 1 7 . 1 1 27 27 LYS H H 27 7.652 7.652 8.434 -0.782 18710 1940 1 7 . 1 1 28 28 LEU N N 28 119.921 119.921 119.313 0.608 18710 1941 1 7 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.924 0.097 18710 1942 1 7 . 1 1 28 28 LEU C C 28 178.369 178.369 177.673 0.696 18710 1943 1 7 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.876 0.625 18710 1944 1 7 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.921 0.350 18710 1945 1 7 . 1 1 28 28 LEU H H 28 8.129 8.129 8.160 -0.031 18710 1946 1 7 . 1 1 29 29 ASP N N 29 117.215 117.215 117.690 -0.475 18710 1947 1 7 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.477 -0.094 18710 1948 1 7 . 1 1 29 29 ASP C C 29 178.274 178.274 176.994 1.280 18710 1949 1 7 . 1 1 29 29 ASP CA C 29 56.076 56.076 55.996 0.080 18710 1950 1 7 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.273 -0.913 18710 1951 1 7 . 1 1 29 29 ASP H H 29 9.053 9.053 8.274 0.779 18710 1952 1 7 . 1 1 30 30 LYS N N 30 111.912 111.912 115.276 -3.364 18710 1953 1 7 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.445 0.000 18710 1954 1 7 . 1 1 30 30 LYS C C 30 176.629 176.629 176.332 0.297 18710 1955 1 7 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.886 -1.907 18710 1956 1 7 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.554 -1.876 18710 1957 1 7 . 1 1 30 30 LYS H H 30 6.601 6.601 7.748 -1.147 18710 1958 1 7 . 1 1 31 31 HIS N N 31 112.584 112.584 115.138 -2.554 18710 1959 1 7 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.366 0.194 18710 1960 1 7 . 1 1 31 31 HIS C C 31 174.202 174.202 173.899 0.303 18710 1961 1 7 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.812 -0.678 18710 1962 1 7 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.147 -0.537 18710 1963 1 7 . 1 1 31 31 HIS H H 31 6.937 6.937 7.757 -0.820 18710 1964 1 7 . 1 1 32 32 ALA N N 32 120.390 120.390 121.278 -0.888 18710 1965 1 7 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.375 -0.322 18710 1966 1 7 . 1 1 32 32 ALA C C 32 175.340 175.340 176.784 -1.444 18710 1967 1 7 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.838 -1.230 18710 1968 1 7 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.428 -2.516 18710 1969 1 7 . 1 1 32 32 ALA H H 32 7.639 7.639 7.888 -0.249 18710 1970 1 7 . 1 1 33 33 ARG N N 33 116.855 116.855 117.298 -0.443 18710 1971 1 7 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.595 -0.504 18710 1972 1 7 . 1 1 33 33 ARG C C 33 176.630 176.630 177.789 -1.159 18710 1973 1 7 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.262 -0.324 18710 1974 1 7 . 1 1 33 33 ARG CB C 33 30.555 30.555 32.127 -1.572 18710 1975 1 7 . 1 1 33 33 ARG H H 33 8.270 8.270 8.225 0.045 18710 1976 1 7 . 1 1 34 34 SER N N 34 109.872 109.872 113.102 -3.230 18710 1977 1 7 . 1 1 34 34 SER HA H 34 4.563 4.563 4.582 -0.019 18710 1978 1 7 . 1 1 34 34 SER C C 34 173.047 173.047 174.743 -1.696 18710 1979 1 7 . 1 1 34 34 SER CA C 34 57.747 57.747 57.782 -0.035 18710 1980 1 7 . 1 1 34 34 SER CB C 34 65.477 65.477 64.960 0.517 18710 1981 1 7 . 1 1 34 34 SER H H 34 8.073 8.073 7.980 0.093 18710 1982 1 7 . 1 1 35 35 GLY N N 35 107.697 107.697 111.889 -4.192 18710 1983 1 7 . 1 1 35 35 GLY C C 35 170.741 170.741 174.198 -3.457 18710 1984 1 7 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.378 0.540 18710 1985 1 7 . 1 1 35 35 GLY H H 35 8.869 8.869 8.420 0.449 18710 1986 1 7 . 1 1 36 36 GLU N N 36 118.971 118.971 119.495 -0.524 18710 1987 1 7 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.481 -0.329 18710 1988 1 7 . 1 1 36 36 GLU C C 36 173.995 173.995 176.025 -2.030 18710 1989 1 7 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.207 0.284 18710 1990 1 7 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.581 -0.307 18710 1991 1 7 . 1 1 36 36 GLU H H 36 8.226 8.226 7.804 0.422 18710 1992 1 7 . 1 1 37 37 CYS N N 37 120.679 120.679 120.474 0.205 18710 1993 1 7 . 1 1 37 37 CYS HA H 37 6.114 6.114 4.916 1.198 18710 1994 1 7 . 1 1 37 37 CYS C C 37 173.692 173.692 174.500 -0.808 18710 1995 1 7 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.987 -2.671 18710 1996 1 7 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.060 17.878 18710 1997 1 7 . 1 1 37 37 CYS H H 37 8.851 8.851 8.564 0.287 18710 1998 1 7 . 1 1 38 38 PHE N N 38 120.484 120.484 119.576 0.908 18710 1999 1 7 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.686 -0.011 18710 2000 1 7 . 1 1 38 38 PHE C C 38 175.480 175.480 173.876 1.604 18710 2001 1 7 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.566 0.171 18710 2002 1 7 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.986 0.794 18710 2003 1 7 . 1 1 38 38 PHE H H 38 9.072 9.072 8.382 0.690 18710 2004 1 7 . 1 1 39 39 TYR N N 39 122.666 122.666 119.892 2.774 18710 2005 1 7 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.027 -0.239 18710 2006 1 7 . 1 1 39 39 TYR C C 39 176.738 176.738 175.730 1.008 18710 2007 1 7 . 1 1 39 39 TYR CA C 39 58.938 58.938 58.025 0.913 18710 2008 1 7 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.196 1.064 18710 2009 1 7 . 1 1 39 39 TYR H H 39 9.002 9.002 8.779 0.223 18710 2010 1 7 . 1 1 40 40 ASP N N 40 123.525 123.525 123.928 -0.403 18710 2011 1 7 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.804 -0.116 18710 2012 1 7 . 1 1 40 40 ASP C C 40 178.719 178.719 177.393 1.326 18710 2013 1 7 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.352 -0.122 18710 2014 1 7 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.845 -0.881 18710 2015 1 7 . 1 1 40 40 ASP H H 40 8.707 8.707 8.038 0.669 18710 2016 1 7 . 1 1 41 41 GLU N N 41 118.054 118.054 120.432 -2.378 18710 2017 1 7 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.173 -0.024 18710 2018 1 7 . 1 1 41 41 GLU C C 41 177.487 177.487 176.825 0.662 18710 2019 1 7 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.269 -0.349 18710 2020 1 7 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.659 -1.006 18710 2021 1 7 . 1 1 41 41 GLU H H 41 9.098 9.098 8.928 0.170 18710 2022 1 7 . 1 1 42 42 LYS N N 42 120.287 120.287 117.303 2.984 18710 2023 1 7 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.457 -0.086 18710 2024 1 7 . 1 1 42 42 LYS C C 42 175.319 175.319 175.589 -0.270 18710 2025 1 7 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.644 -0.257 18710 2026 1 7 . 1 1 42 42 LYS CB C 42 31.935 31.935 31.865 0.070 18710 2027 1 7 . 1 1 42 42 LYS H H 42 8.104 8.104 8.000 0.104 18710 2028 1 7 . 1 1 43 43 ARG N N 43 113.150 113.150 116.623 -3.473 18710 2029 1 7 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.111 -0.537 18710 2030 1 7 . 1 1 43 43 ARG C C 43 174.823 174.823 174.809 0.014 18710 2031 1 7 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.557 -0.438 18710 2032 1 7 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.783 -3.199 18710 2033 1 7 . 1 1 43 43 ARG H H 43 8.305 8.305 7.650 0.655 18710 2034 1 7 . 1 1 44 44 ASN N N 44 118.284 118.284 114.757 3.527 18710 2035 1 7 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.789 0.165 18710 2036 1 7 . 1 1 44 44 ASN C C 44 174.806 174.806 174.966 -0.160 18710 2037 1 7 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.058 0.595 18710 2038 1 7 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.688 -0.607 18710 2039 1 7 . 1 1 44 44 ASN H H 44 8.771 8.771 8.008 0.763 18710 2040 1 7 . 1 1 45 45 LEU N N 45 126.852 126.852 123.682 3.170 18710 2041 1 7 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.317 -0.277 18710 2042 1 7 . 1 1 45 45 LEU C C 45 175.554 175.554 176.230 -0.676 18710 2043 1 7 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.531 0.499 18710 2044 1 7 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.707 2.148 18710 2045 1 7 . 1 1 45 45 LEU H H 45 8.740 8.740 8.489 0.251 18710 2046 1 7 . 1 1 46 46 GLN N N 46 120.892 120.892 121.378 -0.486 18710 2047 1 7 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.482 0.158 18710 2048 1 7 . 1 1 46 46 GLN C C 46 174.603 174.603 175.130 -0.527 18710 2049 1 7 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.434 0.362 18710 2050 1 7 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.622 1.778 18710 2051 1 7 . 1 1 46 46 GLN H H 46 8.462 8.462 8.315 0.147 18710 2052 1 7 . 1 1 47 47 CYS N N 47 122.189 122.189 124.421 -2.232 18710 2053 1 7 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.278 0.476 18710 2054 1 7 . 1 1 47 47 CYS C C 47 171.892 171.892 174.581 -2.689 18710 2055 1 7 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.832 -4.821 18710 2056 1 7 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.336 12.727 18710 2057 1 7 . 1 1 47 47 CYS H H 47 9.292 9.292 8.898 0.394 18710 2058 1 7 . 1 1 48 48 ILE N N 48 129.091 129.091 126.436 2.655 18710 2059 1 7 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.692 -0.422 18710 2060 1 7 . 1 1 48 48 ILE C C 48 175.922 175.922 175.503 0.419 18710 2061 1 7 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.380 -0.049 18710 2062 1 7 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.366 -1.403 18710 2063 1 7 . 1 1 48 48 ILE H H 48 8.724 8.724 8.929 -0.205 18710 2064 1 7 . 1 1 49 49 CYS N N 49 126.727 126.727 128.475 -1.748 18710 2065 1 7 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.324 0.904 18710 2066 1 7 . 1 1 49 49 CYS C C 49 172.511 172.511 173.659 -1.148 18710 2067 1 7 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.284 -7.694 18710 2068 1 7 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.000 9.534 18710 2069 1 7 . 1 1 49 49 CYS H H 49 8.457 8.457 8.599 -0.142 18710 2070 1 7 . 1 1 50 50 ASP N N 50 122.574 122.574 125.759 -3.185 18710 2071 1 7 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.822 0.688 18710 2072 1 7 . 1 1 50 50 ASP C C 50 176.217 176.217 174.897 1.320 18710 2073 1 7 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.246 -0.163 18710 2074 1 7 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.764 1.106 18710 2075 1 7 . 1 1 50 50 ASP H H 50 8.896 8.896 8.506 0.390 18710 2076 1 7 . 1 1 51 51 TYR N N 51 125.641 125.641 122.411 3.230 18710 2077 1 7 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.742 -0.626 18710 2078 1 7 . 1 1 51 51 TYR C C 51 175.491 175.491 174.927 0.564 18710 2079 1 7 . 1 1 51 51 TYR CA C 51 59.295 59.295 57.511 1.784 18710 2080 1 7 . 1 1 51 51 TYR CB C 51 38.540 38.540 37.032 1.508 18710 2081 1 7 . 1 1 51 51 TYR H H 51 9.819 9.819 7.633 2.186 18710 2082 1 7 . 1 1 52 52 CYS N N 52 121.040 121.040 117.926 3.114 18710 2083 1 7 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.551 -0.179 18710 2084 1 7 . 1 1 52 52 CYS C C 52 173.129 173.129 173.997 -0.868 18710 2085 1 7 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.507 -3.482 18710 2086 1 7 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.473 13.768 18710 2087 1 7 . 1 1 52 52 CYS H H 52 9.700 9.700 7.807 1.893 18710 2088 1 7 . 1 1 53 53 GLU N N 53 121.628 121.628 121.916 -0.288 18710 2089 1 7 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.348 -0.083 18710 2090 1 7 . 1 1 53 53 GLU C C 53 174.253 174.253 176.013 -1.760 18710 2091 1 7 . 1 1 53 53 GLU CA C 53 55.200 55.200 55.388 -0.188 18710 2092 1 7 . 1 1 53 53 GLU CB C 53 31.198 31.198 27.986 3.212 18710 2093 1 7 . 1 1 53 53 GLU H H 53 8.466 8.466 8.733 -0.267 18710 2094 1 8 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.152 0.094 18710 2095 1 8 . 1 1 3 3 LYS C C 3 176.970 176.970 178.044 -1.074 18710 2096 1 8 . 1 1 3 3 LYS CA C 3 57.314 57.314 57.459 -0.145 18710 2097 1 8 . 1 1 3 3 LYS CB C 3 32.511 32.511 33.046 -0.535 18710 2098 1 8 . 1 1 4 4 CYS N N 4 117.663 117.663 116.695 0.968 18710 2099 1 8 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.513 0.101 18710 2100 1 8 . 1 1 4 4 CYS C C 4 174.336 174.336 175.518 -1.182 18710 2101 1 8 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.564 -2.283 18710 2102 1 8 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.618 14.711 18710 2103 1 8 . 1 1 4 4 CYS H H 4 8.552 8.552 8.428 0.124 18710 2104 1 8 . 1 1 5 5 LYS N N 5 118.468 118.468 121.308 -2.840 18710 2105 1 8 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.416 1.103 18710 2106 1 8 . 1 1 5 5 LYS C C 5 176.806 176.806 175.775 1.031 18710 2107 1 8 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.709 -0.954 18710 2108 1 8 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.104 3.444 18710 2109 1 8 . 1 1 5 5 LYS H H 5 8.067 8.067 7.962 0.105 18710 2110 1 8 . 1 1 6 6 LYS N N 6 121.028 121.028 125.375 -4.347 18710 2111 1 8 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.617 0.099 18710 2112 1 8 . 1 1 6 6 LYS C C 6 176.149 176.149 174.342 1.807 18710 2113 1 8 . 1 1 6 6 LYS CA C 6 55.267 55.267 55.033 0.234 18710 2114 1 8 . 1 1 6 6 LYS CB C 6 36.779 36.779 36.011 0.768 18710 2115 1 8 . 1 1 6 6 LYS H H 6 9.043 9.043 8.685 0.358 18710 2116 1 8 . 1 1 7 7 VAL N N 7 128.686 128.686 122.986 5.700 18710 2117 1 8 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.255 -0.358 18710 2118 1 8 . 1 1 7 7 VAL C C 7 175.013 175.013 175.015 -0.002 18710 2119 1 8 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.764 3.052 18710 2120 1 8 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.672 -0.530 18710 2121 1 8 . 1 1 7 7 VAL H H 7 8.991 8.991 8.441 0.550 18710 2122 1 8 . 1 1 8 8 TYR N N 8 129.909 129.909 125.908 4.001 18710 2123 1 8 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.880 -0.509 18710 2124 1 8 . 1 1 8 8 TYR C C 8 175.018 175.018 174.654 0.364 18710 2125 1 8 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.699 -1.312 18710 2126 1 8 . 1 1 8 8 TYR CB C 8 35.820 35.820 40.347 -4.527 18710 2127 1 8 . 1 1 8 8 TYR H H 8 9.265 9.265 7.901 1.364 18710 2128 1 8 . 1 1 9 9 GLU N N 9 131.262 131.262 125.094 6.168 18710 2129 1 8 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.826 0.285 18710 2130 1 8 . 1 1 9 9 GLU C C 9 177.071 177.071 177.118 -0.047 18710 2131 1 8 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.367 0.792 18710 2132 1 8 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.886 -0.798 18710 2133 1 8 . 1 1 9 9 GLU H H 9 9.217 9.217 8.659 0.558 18710 2134 1 8 . 1 1 10 10 ASN N N 10 115.995 115.995 115.548 0.447 18710 2135 1 8 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.453 -0.099 18710 2136 1 8 . 1 1 10 10 ASN C C 10 174.465 174.465 174.567 -0.102 18710 2137 1 8 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.319 -0.818 18710 2138 1 8 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.711 -0.639 18710 2139 1 8 . 1 1 10 10 ASN H H 10 9.445 9.445 8.472 0.973 18710 2140 1 8 . 1 1 11 11 TYR N N 11 122.981 122.981 117.940 5.041 18710 2141 1 8 . 1 1 11 11 TYR HA H 11 4.108 4.108 4.965 -0.857 18710 2142 1 8 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.132 3.263 18710 2143 1 8 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.108 1.192 18710 2144 1 8 . 1 1 11 11 TYR H H 11 7.533 7.533 7.886 -0.353 18710 2145 1 8 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.172 0.236 18710 2146 1 8 . 1 1 12 12 PRO C C 12 176.771 176.771 177.803 -1.032 18710 2147 1 8 . 1 1 12 12 PRO CA C 12 62.008 62.008 61.905 0.103 18710 2148 1 8 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.606 -2.288 18710 2149 1 8 . 1 1 13 13 VAL N N 13 124.171 124.171 119.200 4.971 18710 2150 1 8 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.771 0.013 18710 2151 1 8 . 1 1 13 13 VAL C C 13 178.748 178.748 177.426 1.322 18710 2152 1 8 . 1 1 13 13 VAL CA C 13 65.650 65.650 65.145 0.505 18710 2153 1 8 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.710 -0.245 18710 2154 1 8 . 1 1 13 13 VAL H H 13 8.195 8.195 8.380 -0.185 18710 2155 1 8 . 1 1 14 14 SER N N 14 118.320 118.320 115.744 2.576 18710 2156 1 8 . 1 1 14 14 SER HA H 14 4.092 4.092 4.154 -0.062 18710 2157 1 8 . 1 1 14 14 SER C C 14 177.862 177.862 176.630 1.232 18710 2158 1 8 . 1 1 14 14 SER CA C 14 61.300 61.300 61.826 -0.526 18710 2159 1 8 . 1 1 14 14 SER CB C 14 61.302 61.302 62.859 -1.557 18710 2160 1 8 . 1 1 14 14 SER H H 14 8.577 8.577 8.247 0.330 18710 2161 1 8 . 1 1 15 15 LYS N N 15 121.997 121.997 119.382 2.615 18710 2162 1 8 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.356 -0.353 18710 2163 1 8 . 1 1 15 15 LYS C C 15 178.744 178.744 177.857 0.887 18710 2164 1 8 . 1 1 15 15 LYS CA C 15 59.710 59.710 57.678 2.032 18710 2165 1 8 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.188 -0.801 18710 2166 1 8 . 1 1 15 15 LYS H H 15 7.886 7.886 7.798 0.088 18710 2167 1 8 . 1 1 16 16 CYS N N 16 115.824 115.824 119.936 -4.112 18710 2168 1 8 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.446 0.254 18710 2169 1 8 . 1 1 16 16 CYS C C 16 175.843 175.843 176.371 -0.528 18710 2170 1 8 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.477 -2.425 18710 2171 1 8 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.463 14.950 18710 2172 1 8 . 1 1 16 16 CYS H H 16 7.848 7.848 8.141 -0.293 18710 2173 1 8 . 1 1 17 17 GLN N N 17 115.165 115.165 117.623 -2.458 18710 2174 1 8 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.075 0.077 18710 2175 1 8 . 1 1 17 17 GLN C C 17 175.310 175.310 176.497 -1.187 18710 2176 1 8 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.699 -1.450 18710 2177 1 8 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.867 -0.211 18710 2178 1 8 . 1 1 17 17 GLN H H 17 7.398 7.398 7.905 -0.507 18710 2179 1 8 . 1 1 18 18 LEU N N 18 121.702 121.702 119.496 2.206 18710 2180 1 8 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.577 -0.094 18710 2181 1 8 . 1 1 18 18 LEU C C 18 176.211 176.211 176.416 -0.205 18710 2182 1 8 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.344 0.025 18710 2183 1 8 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.886 -0.708 18710 2184 1 8 . 1 1 18 18 LEU H H 18 7.354 7.354 8.063 -0.709 18710 2185 1 8 . 1 1 19 19 ALA N N 19 128.501 128.501 128.144 0.357 18710 2186 1 8 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.894 0.181 18710 2187 1 8 . 1 1 19 19 ALA C C 19 179.107 179.107 177.809 1.298 18710 2188 1 8 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.724 -0.826 18710 2189 1 8 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.731 -0.732 18710 2190 1 8 . 1 1 19 19 ALA H H 19 8.735 8.735 8.889 -0.154 18710 2191 1 8 . 1 1 20 20 ASN N N 20 116.786 116.786 114.372 2.414 18710 2192 1 8 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.615 -0.037 18710 2193 1 8 . 1 1 20 20 ASN C C 20 174.900 174.900 177.256 -2.356 18710 2194 1 8 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.882 0.256 18710 2195 1 8 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.951 1.372 18710 2196 1 8 . 1 1 20 20 ASN H H 20 9.284 9.284 7.879 1.405 18710 2197 1 8 . 1 1 21 21 GLN N N 21 123.178 123.178 121.453 1.725 18710 2198 1 8 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.097 -0.320 18710 2199 1 8 . 1 1 21 21 GLN C C 21 176.327 176.327 177.370 -1.043 18710 2200 1 8 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.566 0.903 18710 2201 1 8 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.691 0.747 18710 2202 1 8 . 1 1 21 21 GLN H H 21 7.696 7.696 8.574 -0.878 18710 2203 1 8 . 1 1 22 22 CYS N N 22 119.327 119.327 118.643 0.684 18710 2204 1 8 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.268 -0.014 18710 2205 1 8 . 1 1 22 22 CYS C C 22 175.955 175.955 177.276 -1.321 18710 2206 1 8 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.173 -4.781 18710 2207 1 8 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.089 12.485 18710 2208 1 8 . 1 1 22 22 CYS H H 22 8.495 8.495 7.846 0.649 18710 2209 1 8 . 1 1 23 23 ASN N N 23 119.489 119.489 117.760 1.729 18710 2210 1 8 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.409 -0.644 18710 2211 1 8 . 1 1 23 23 ASN C C 23 175.773 175.773 177.642 -1.869 18710 2212 1 8 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.347 1.518 18710 2213 1 8 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.384 1.877 18710 2214 1 8 . 1 1 23 23 ASN H H 23 8.224 8.224 8.224 0.000 18710 2215 1 8 . 1 1 24 24 TYR N N 24 118.459 118.459 120.985 -2.526 18710 2216 1 8 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.122 -0.296 18710 2217 1 8 . 1 1 24 24 TYR C C 24 178.310 178.310 178.271 0.039 18710 2218 1 8 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.033 -0.293 18710 2219 1 8 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.061 0.509 18710 2220 1 8 . 1 1 24 24 TYR H H 24 8.296 8.296 7.778 0.518 18710 2221 1 8 . 1 1 25 25 ASP N N 25 119.944 119.944 119.570 0.374 18710 2222 1 8 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.443 0.161 18710 2223 1 8 . 1 1 25 25 ASP C C 25 179.719 179.719 179.090 0.629 18710 2224 1 8 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.339 0.265 18710 2225 1 8 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.314 0.070 18710 2226 1 8 . 1 1 25 25 ASP H H 25 9.105 9.105 8.582 0.523 18710 2227 1 8 . 1 1 26 26 CYS N N 26 120.503 120.503 119.483 1.020 18710 2228 1 8 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.471 -0.394 18710 2229 1 8 . 1 1 26 26 CYS C C 26 177.789 177.789 177.924 -0.135 18710 2230 1 8 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.514 -1.986 18710 2231 1 8 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.585 10.055 18710 2232 1 8 . 1 1 26 26 CYS H H 26 9.403 9.403 9.217 0.186 18710 2233 1 8 . 1 1 27 27 LYS N N 27 119.866 119.866 120.234 -0.368 18710 2234 1 8 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.173 -0.170 18710 2235 1 8 . 1 1 27 27 LYS C C 27 177.792 177.792 179.030 -1.238 18710 2236 1 8 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.331 0.379 18710 2237 1 8 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.568 -0.366 18710 2238 1 8 . 1 1 27 27 LYS H H 27 7.652 7.652 8.393 -0.741 18710 2239 1 8 . 1 1 28 28 LEU N N 28 119.921 119.921 119.542 0.379 18710 2240 1 8 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.935 0.086 18710 2241 1 8 . 1 1 28 28 LEU C C 28 178.369 178.369 177.675 0.694 18710 2242 1 8 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.942 0.559 18710 2243 1 8 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.951 0.320 18710 2244 1 8 . 1 1 28 28 LEU H H 28 8.129 8.129 8.257 -0.128 18710 2245 1 8 . 1 1 29 29 ASP N N 29 117.215 117.215 117.543 -0.328 18710 2246 1 8 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.481 -0.098 18710 2247 1 8 . 1 1 29 29 ASP C C 29 178.274 178.274 176.962 1.312 18710 2248 1 8 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.030 0.046 18710 2249 1 8 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.261 -0.901 18710 2250 1 8 . 1 1 29 29 ASP H H 29 9.053 9.053 8.382 0.671 18710 2251 1 8 . 1 1 30 30 LYS N N 30 111.912 111.912 115.299 -3.387 18710 2252 1 8 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.427 0.018 18710 2253 1 8 . 1 1 30 30 LYS C C 30 176.629 176.629 176.279 0.350 18710 2254 1 8 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.882 -1.903 18710 2255 1 8 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.537 -1.859 18710 2256 1 8 . 1 1 30 30 LYS H H 30 6.601 6.601 7.573 -0.972 18710 2257 1 8 . 1 1 31 31 HIS N N 31 112.584 112.584 115.254 -2.670 18710 2258 1 8 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.377 0.183 18710 2259 1 8 . 1 1 31 31 HIS C C 31 174.202 174.202 173.902 0.300 18710 2260 1 8 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.791 -0.657 18710 2261 1 8 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.172 -0.562 18710 2262 1 8 . 1 1 31 31 HIS H H 31 6.937 6.937 7.693 -0.756 18710 2263 1 8 . 1 1 32 32 ALA N N 32 120.390 120.390 121.892 -1.502 18710 2264 1 8 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.362 -0.309 18710 2265 1 8 . 1 1 32 32 ALA C C 32 175.340 175.340 176.947 -1.607 18710 2266 1 8 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.853 -1.245 18710 2267 1 8 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.057 -2.145 18710 2268 1 8 . 1 1 32 32 ALA H H 32 7.639 7.639 8.063 -0.424 18710 2269 1 8 . 1 1 33 33 ARG N N 33 116.855 116.855 117.398 -0.543 18710 2270 1 8 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.595 -0.504 18710 2271 1 8 . 1 1 33 33 ARG C C 33 176.630 176.630 177.545 -0.915 18710 2272 1 8 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.281 -0.343 18710 2273 1 8 . 1 1 33 33 ARG CB C 33 30.555 30.555 32.381 -1.826 18710 2274 1 8 . 1 1 33 33 ARG H H 33 8.270 8.270 8.243 0.027 18710 2275 1 8 . 1 1 34 34 SER N N 34 109.872 109.872 111.818 -1.946 18710 2276 1 8 . 1 1 34 34 SER HA H 34 4.563 4.563 4.544 0.019 18710 2277 1 8 . 1 1 34 34 SER C C 34 173.047 173.047 174.728 -1.681 18710 2278 1 8 . 1 1 34 34 SER CA C 34 57.747 57.747 58.105 -0.358 18710 2279 1 8 . 1 1 34 34 SER CB C 34 65.477 65.477 65.180 0.297 18710 2280 1 8 . 1 1 34 34 SER H H 34 8.073 8.073 7.939 0.134 18710 2281 1 8 . 1 1 35 35 GLY N N 35 107.697 107.697 111.764 -4.067 18710 2282 1 8 . 1 1 35 35 GLY C C 35 170.741 170.741 174.398 -3.657 18710 2283 1 8 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.350 0.568 18710 2284 1 8 . 1 1 35 35 GLY H H 35 8.869 8.869 8.389 0.480 18710 2285 1 8 . 1 1 36 36 GLU N N 36 118.971 118.971 119.243 -0.272 18710 2286 1 8 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.360 -0.208 18710 2287 1 8 . 1 1 36 36 GLU C C 36 173.995 173.995 176.093 -2.098 18710 2288 1 8 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.707 -0.216 18710 2289 1 8 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.014 0.260 18710 2290 1 8 . 1 1 36 36 GLU H H 36 8.226 8.226 7.806 0.420 18710 2291 1 8 . 1 1 37 37 CYS N N 37 120.679 120.679 120.394 0.285 18710 2292 1 8 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.170 0.944 18710 2293 1 8 . 1 1 37 37 CYS C C 37 173.692 173.692 174.496 -0.804 18710 2294 1 8 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.520 -2.204 18710 2295 1 8 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.593 17.345 18710 2296 1 8 . 1 1 37 37 CYS H H 37 8.851 8.851 8.512 0.339 18710 2297 1 8 . 1 1 38 38 PHE N N 38 120.484 120.484 119.632 0.852 18710 2298 1 8 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.727 -0.052 18710 2299 1 8 . 1 1 38 38 PHE C C 38 175.480 175.480 173.972 1.508 18710 2300 1 8 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.494 0.244 18710 2301 1 8 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.822 0.958 18710 2302 1 8 . 1 1 38 38 PHE H H 38 9.072 9.072 8.364 0.708 18710 2303 1 8 . 1 1 39 39 TYR N N 39 122.666 122.666 119.847 2.819 18710 2304 1 8 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.018 -0.230 18710 2305 1 8 . 1 1 39 39 TYR C C 39 176.738 176.738 175.842 0.896 18710 2306 1 8 . 1 1 39 39 TYR CA C 39 58.938 58.938 58.137 0.801 18710 2307 1 8 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.360 0.900 18710 2308 1 8 . 1 1 39 39 TYR H H 39 9.002 9.002 8.762 0.240 18710 2309 1 8 . 1 1 40 40 ASP N N 40 123.525 123.525 124.052 -0.527 18710 2310 1 8 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.784 -0.096 18710 2311 1 8 . 1 1 40 40 ASP C C 40 178.719 178.719 177.231 1.488 18710 2312 1 8 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.371 -0.141 18710 2313 1 8 . 1 1 40 40 ASP CB C 40 40.964 40.964 42.038 -1.074 18710 2314 1 8 . 1 1 40 40 ASP H H 40 8.707 8.707 8.080 0.627 18710 2315 1 8 . 1 1 41 41 GLU N N 41 118.054 118.054 119.948 -1.894 18710 2316 1 8 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.188 -0.039 18710 2317 1 8 . 1 1 41 41 GLU C C 41 177.487 177.487 176.833 0.654 18710 2318 1 8 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.141 -0.221 18710 2319 1 8 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.334 -0.681 18710 2320 1 8 . 1 1 41 41 GLU H H 41 9.098 9.098 8.904 0.194 18710 2321 1 8 . 1 1 42 42 LYS N N 42 120.287 120.287 117.040 3.247 18710 2322 1 8 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.465 -0.094 18710 2323 1 8 . 1 1 42 42 LYS C C 42 175.319 175.319 175.816 -0.497 18710 2324 1 8 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.559 -0.172 18710 2325 1 8 . 1 1 42 42 LYS CB C 42 31.935 31.935 32.055 -0.120 18710 2326 1 8 . 1 1 42 42 LYS H H 42 8.104 8.104 7.883 0.221 18710 2327 1 8 . 1 1 43 43 ARG N N 43 113.150 113.150 116.135 -2.985 18710 2328 1 8 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.189 -0.615 18710 2329 1 8 . 1 1 43 43 ARG C C 43 174.823 174.823 174.772 0.051 18710 2330 1 8 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.258 -0.140 18710 2331 1 8 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.238 -2.654 18710 2332 1 8 . 1 1 43 43 ARG H H 43 8.305 8.305 7.699 0.606 18710 2333 1 8 . 1 1 44 44 ASN N N 44 118.284 118.284 116.088 2.196 18710 2334 1 8 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.752 0.202 18710 2335 1 8 . 1 1 44 44 ASN C C 44 174.806 174.806 174.740 0.066 18710 2336 1 8 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.224 0.429 18710 2337 1 8 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.322 -0.241 18710 2338 1 8 . 1 1 44 44 ASN H H 44 8.771 8.771 7.884 0.887 18710 2339 1 8 . 1 1 45 45 LEU N N 45 126.852 126.852 123.055 3.797 18710 2340 1 8 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.430 -0.390 18710 2341 1 8 . 1 1 45 45 LEU C C 45 175.554 175.554 176.351 -0.797 18710 2342 1 8 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.566 0.464 18710 2343 1 8 . 1 1 45 45 LEU CB C 45 42.855 42.855 41.437 1.418 18710 2344 1 8 . 1 1 45 45 LEU H H 45 8.740 8.740 8.447 0.293 18710 2345 1 8 . 1 1 46 46 GLN N N 46 120.892 120.892 120.976 -0.084 18710 2346 1 8 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.532 0.108 18710 2347 1 8 . 1 1 46 46 GLN C C 46 174.603 174.603 174.967 -0.364 18710 2348 1 8 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.479 0.318 18710 2349 1 8 . 1 1 46 46 GLN CB C 46 32.400 32.400 31.004 1.396 18710 2350 1 8 . 1 1 46 46 GLN H H 46 8.462 8.462 8.264 0.198 18710 2351 1 8 . 1 1 47 47 CYS N N 47 122.189 122.189 124.620 -2.431 18710 2352 1 8 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.272 0.482 18710 2353 1 8 . 1 1 47 47 CYS C C 47 171.892 171.892 174.644 -2.752 18710 2354 1 8 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.898 -4.887 18710 2355 1 8 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.543 12.520 18710 2356 1 8 . 1 1 47 47 CYS H H 47 9.292 9.292 8.941 0.351 18710 2357 1 8 . 1 1 48 48 ILE N N 48 129.091 129.091 126.389 2.702 18710 2358 1 8 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.651 -0.381 18710 2359 1 8 . 1 1 48 48 ILE C C 48 175.922 175.922 175.383 0.539 18710 2360 1 8 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.281 0.050 18710 2361 1 8 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.527 -1.564 18710 2362 1 8 . 1 1 48 48 ILE H H 48 8.724 8.724 9.100 -0.376 18710 2363 1 8 . 1 1 49 49 CYS N N 49 126.727 126.727 128.338 -1.611 18710 2364 1 8 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.296 0.932 18710 2365 1 8 . 1 1 49 49 CYS C C 49 172.511 172.511 173.486 -0.975 18710 2366 1 8 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.654 -8.064 18710 2367 1 8 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.583 8.951 18710 2368 1 8 . 1 1 49 49 CYS H H 49 8.457 8.457 8.744 -0.287 18710 2369 1 8 . 1 1 50 50 ASP N N 50 122.574 122.574 125.416 -2.842 18710 2370 1 8 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.822 0.688 18710 2371 1 8 . 1 1 50 50 ASP C C 50 176.217 176.217 174.833 1.384 18710 2372 1 8 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.320 -0.237 18710 2373 1 8 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.766 1.104 18710 2374 1 8 . 1 1 50 50 ASP H H 50 8.896 8.896 8.570 0.326 18710 2375 1 8 . 1 1 51 51 TYR N N 51 125.641 125.641 122.645 2.996 18710 2376 1 8 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.710 -0.594 18710 2377 1 8 . 1 1 51 51 TYR C C 51 175.491 175.491 174.688 0.803 18710 2378 1 8 . 1 1 51 51 TYR CA C 51 59.295 59.295 57.780 1.515 18710 2379 1 8 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.708 1.832 18710 2380 1 8 . 1 1 51 51 TYR H H 51 9.819 9.819 7.583 2.236 18710 2381 1 8 . 1 1 52 52 CYS N N 52 121.040 121.040 117.455 3.585 18710 2382 1 8 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.578 -0.206 18710 2383 1 8 . 1 1 52 52 CYS C C 52 173.129 173.129 173.881 -0.752 18710 2384 1 8 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.344 -3.319 18710 2385 1 8 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.561 13.680 18710 2386 1 8 . 1 1 52 52 CYS H H 52 9.700 9.700 7.737 1.963 18710 2387 1 8 . 1 1 53 53 GLU N N 53 121.628 121.628 121.712 -0.084 18710 2388 1 8 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.348 -0.083 18710 2389 1 8 . 1 1 53 53 GLU C C 53 174.253 174.253 175.944 -1.691 18710 2390 1 8 . 1 1 53 53 GLU CA C 53 55.200 55.200 55.935 -0.735 18710 2391 1 8 . 1 1 53 53 GLU CB C 53 31.198 31.198 27.805 3.393 18710 2392 1 8 . 1 1 53 53 GLU H H 53 8.466 8.466 8.670 -0.204 18710 2393 1 9 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.143 0.103 18710 2394 1 9 . 1 1 3 3 LYS C C 3 176.970 176.970 176.736 0.234 18710 2395 1 9 . 1 1 3 3 LYS CA C 3 57.314 57.314 58.477 -1.163 18710 2396 1 9 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.211 0.300 18710 2397 1 9 . 1 1 4 4 CYS N N 4 117.663 117.663 115.571 2.092 18710 2398 1 9 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.372 0.242 18710 2399 1 9 . 1 1 4 4 CYS C C 4 174.336 174.336 175.427 -1.091 18710 2400 1 9 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.294 -2.013 18710 2401 1 9 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.419 14.909 18710 2402 1 9 . 1 1 4 4 CYS H H 4 8.552 8.552 8.098 0.454 18710 2403 1 9 . 1 1 5 5 LYS N N 5 118.468 118.468 121.179 -2.711 18710 2404 1 9 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.528 0.991 18710 2405 1 9 . 1 1 5 5 LYS C C 5 176.806 176.806 175.969 0.837 18710 2406 1 9 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.495 -0.740 18710 2407 1 9 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.090 3.458 18710 2408 1 9 . 1 1 5 5 LYS H H 5 8.067 8.067 7.588 0.479 18710 2409 1 9 . 1 1 6 6 LYS N N 6 121.028 121.028 125.580 -4.552 18710 2410 1 9 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.582 0.134 18710 2411 1 9 . 1 1 6 6 LYS C C 6 176.149 176.149 174.475 1.674 18710 2412 1 9 . 1 1 6 6 LYS CA C 6 55.267 55.267 55.146 0.121 18710 2413 1 9 . 1 1 6 6 LYS CB C 6 36.779 36.779 35.767 1.012 18710 2414 1 9 . 1 1 6 6 LYS H H 6 9.043 9.043 8.705 0.338 18710 2415 1 9 . 1 1 7 7 VAL N N 7 128.686 128.686 123.324 5.362 18710 2416 1 9 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.344 -0.447 18710 2417 1 9 . 1 1 7 7 VAL C C 7 175.013 175.013 175.127 -0.114 18710 2418 1 9 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.022 3.794 18710 2419 1 9 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.387 -0.245 18710 2420 1 9 . 1 1 7 7 VAL H H 7 8.991 8.991 8.473 0.518 18710 2421 1 9 . 1 1 8 8 TYR N N 8 129.909 129.909 126.251 3.658 18710 2422 1 9 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.888 -0.517 18710 2423 1 9 . 1 1 8 8 TYR C C 8 175.018 175.018 174.415 0.603 18710 2424 1 9 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.783 -1.396 18710 2425 1 9 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.600 -3.780 18710 2426 1 9 . 1 1 8 8 TYR H H 8 9.265 9.265 7.892 1.373 18710 2427 1 9 . 1 1 9 9 GLU N N 9 131.262 131.262 125.110 6.152 18710 2428 1 9 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.814 0.297 18710 2429 1 9 . 1 1 9 9 GLU C C 9 177.071 177.071 177.192 -0.121 18710 2430 1 9 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.425 0.734 18710 2431 1 9 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.893 -0.805 18710 2432 1 9 . 1 1 9 9 GLU H H 9 9.217 9.217 8.666 0.551 18710 2433 1 9 . 1 1 10 10 ASN N N 10 115.995 115.995 115.469 0.526 18710 2434 1 9 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.465 -0.111 18710 2435 1 9 . 1 1 10 10 ASN C C 10 174.465 174.465 174.609 -0.144 18710 2436 1 9 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.348 -0.847 18710 2437 1 9 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.670 -0.598 18710 2438 1 9 . 1 1 10 10 ASN H H 10 9.445 9.445 8.525 0.920 18710 2439 1 9 . 1 1 11 11 TYR N N 11 122.981 122.981 118.951 4.030 18710 2440 1 9 . 1 1 11 11 TYR HA H 11 4.108 4.108 5.015 -0.907 18710 2441 1 9 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.374 3.021 18710 2442 1 9 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.353 0.947 18710 2443 1 9 . 1 1 11 11 TYR H H 11 7.533 7.533 8.044 -0.511 18710 2444 1 9 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.163 0.245 18710 2445 1 9 . 1 1 12 12 PRO C C 12 176.771 176.771 177.589 -0.818 18710 2446 1 9 . 1 1 12 12 PRO CA C 12 62.008 62.008 62.026 -0.018 18710 2447 1 9 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.458 -2.139 18710 2448 1 9 . 1 1 13 13 VAL N N 13 124.171 124.171 119.000 5.171 18710 2449 1 9 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.801 -0.017 18710 2450 1 9 . 1 1 13 13 VAL C C 13 178.748 178.748 177.683 1.065 18710 2451 1 9 . 1 1 13 13 VAL CA C 13 65.650 65.650 64.693 0.957 18710 2452 1 9 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.761 -0.296 18710 2453 1 9 . 1 1 13 13 VAL H H 13 8.195 8.195 8.279 -0.084 18710 2454 1 9 . 1 1 14 14 SER N N 14 118.320 118.320 114.841 3.479 18710 2455 1 9 . 1 1 14 14 SER HA H 14 4.092 4.092 4.157 -0.065 18710 2456 1 9 . 1 1 14 14 SER C C 14 177.862 177.862 176.671 1.191 18710 2457 1 9 . 1 1 14 14 SER CA C 14 61.300 61.300 61.388 -0.088 18710 2458 1 9 . 1 1 14 14 SER CB C 14 61.302 61.302 62.720 -1.418 18710 2459 1 9 . 1 1 14 14 SER H H 14 8.577 8.577 8.231 0.346 18710 2460 1 9 . 1 1 15 15 LYS N N 15 121.997 121.997 119.315 2.682 18710 2461 1 9 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.312 -0.309 18710 2462 1 9 . 1 1 15 15 LYS C C 15 178.744 178.744 178.050 0.694 18710 2463 1 9 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.640 1.070 18710 2464 1 9 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.642 -1.254 18710 2465 1 9 . 1 1 15 15 LYS H H 15 7.886 7.886 7.736 0.150 18710 2466 1 9 . 1 1 16 16 CYS N N 16 115.824 115.824 120.006 -4.182 18710 2467 1 9 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.426 0.274 18710 2468 1 9 . 1 1 16 16 CYS C C 16 175.843 175.843 176.291 -0.448 18710 2469 1 9 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.474 -2.422 18710 2470 1 9 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.436 14.977 18710 2471 1 9 . 1 1 16 16 CYS H H 16 7.848 7.848 8.187 -0.339 18710 2472 1 9 . 1 1 17 17 GLN N N 17 115.165 115.165 117.586 -2.421 18710 2473 1 9 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.069 0.083 18710 2474 1 9 . 1 1 17 17 GLN C C 17 175.310 175.310 176.500 -1.190 18710 2475 1 9 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.676 -1.427 18710 2476 1 9 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.780 -0.124 18710 2477 1 9 . 1 1 17 17 GLN H H 17 7.398 7.398 7.927 -0.529 18710 2478 1 9 . 1 1 18 18 LEU N N 18 121.702 121.702 119.696 2.006 18710 2479 1 9 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.579 -0.096 18710 2480 1 9 . 1 1 18 18 LEU C C 18 176.211 176.211 176.326 -0.115 18710 2481 1 9 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.299 0.070 18710 2482 1 9 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.702 -0.523 18710 2483 1 9 . 1 1 18 18 LEU H H 18 7.354 7.354 8.026 -0.672 18710 2484 1 9 . 1 1 19 19 ALA N N 19 128.501 128.501 128.102 0.399 18710 2485 1 9 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.878 0.197 18710 2486 1 9 . 1 1 19 19 ALA C C 19 179.107 179.107 177.896 1.211 18710 2487 1 9 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.772 -0.874 18710 2488 1 9 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.710 -0.711 18710 2489 1 9 . 1 1 19 19 ALA H H 19 8.735 8.735 8.908 -0.173 18710 2490 1 9 . 1 1 20 20 ASN N N 20 116.786 116.786 113.932 2.854 18710 2491 1 9 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.549 0.029 18710 2492 1 9 . 1 1 20 20 ASN C C 20 174.900 174.900 176.832 -1.932 18710 2493 1 9 . 1 1 20 20 ASN CA C 20 55.138 55.138 55.035 0.103 18710 2494 1 9 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.890 1.433 18710 2495 1 9 . 1 1 20 20 ASN H H 20 9.284 9.284 8.049 1.235 18710 2496 1 9 . 1 1 21 21 GLN N N 21 123.178 123.178 121.382 1.796 18710 2497 1 9 . 1 1 21 21 GLN HA H 21 3.777 3.777 3.998 -0.221 18710 2498 1 9 . 1 1 21 21 GLN C C 21 176.327 176.327 177.633 -1.306 18710 2499 1 9 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.853 0.616 18710 2500 1 9 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.492 0.946 18710 2501 1 9 . 1 1 21 21 GLN H H 21 7.696 7.696 8.634 -0.938 18710 2502 1 9 . 1 1 22 22 CYS N N 22 119.327 119.327 118.185 1.142 18710 2503 1 9 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.287 -0.033 18710 2504 1 9 . 1 1 22 22 CYS C C 22 175.955 175.955 177.273 -1.318 18710 2505 1 9 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.123 -4.731 18710 2506 1 9 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.113 12.461 18710 2507 1 9 . 1 1 22 22 CYS H H 22 8.495 8.495 7.850 0.645 18710 2508 1 9 . 1 1 23 23 ASN N N 23 119.489 119.489 118.003 1.486 18710 2509 1 9 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.393 -0.628 18710 2510 1 9 . 1 1 23 23 ASN C C 23 175.773 175.773 177.665 -1.892 18710 2511 1 9 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.321 1.544 18710 2512 1 9 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.391 1.870 18710 2513 1 9 . 1 1 23 23 ASN H H 23 8.224 8.224 8.133 0.092 18710 2514 1 9 . 1 1 24 24 TYR N N 24 118.459 118.459 121.015 -2.556 18710 2515 1 9 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.102 -0.276 18710 2516 1 9 . 1 1 24 24 TYR C C 24 178.310 178.310 178.228 0.082 18710 2517 1 9 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.079 -0.339 18710 2518 1 9 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.045 0.524 18710 2519 1 9 . 1 1 24 24 TYR H H 24 8.296 8.296 7.955 0.341 18710 2520 1 9 . 1 1 25 25 ASP N N 25 119.944 119.944 119.604 0.340 18710 2521 1 9 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.422 0.182 18710 2522 1 9 . 1 1 25 25 ASP C C 25 179.719 179.719 179.117 0.602 18710 2523 1 9 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.295 0.309 18710 2524 1 9 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.200 0.183 18710 2525 1 9 . 1 1 25 25 ASP H H 25 9.105 9.105 8.494 0.611 18710 2526 1 9 . 1 1 26 26 CYS N N 26 120.503 120.503 119.466 1.037 18710 2527 1 9 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.493 -0.416 18710 2528 1 9 . 1 1 26 26 CYS C C 26 177.789 177.789 177.902 -0.113 18710 2529 1 9 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.478 -1.950 18710 2530 1 9 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.581 10.059 18710 2531 1 9 . 1 1 26 26 CYS H H 26 9.403 9.403 9.207 0.196 18710 2532 1 9 . 1 1 27 27 LYS N N 27 119.866 119.866 120.179 -0.313 18710 2533 1 9 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.144 -0.141 18710 2534 1 9 . 1 1 27 27 LYS C C 27 177.792 177.792 179.017 -1.225 18710 2535 1 9 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.287 0.423 18710 2536 1 9 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.539 -0.337 18710 2537 1 9 . 1 1 27 27 LYS H H 27 7.652 7.652 8.438 -0.786 18710 2538 1 9 . 1 1 28 28 LEU N N 28 119.921 119.921 119.546 0.375 18710 2539 1 9 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.945 0.076 18710 2540 1 9 . 1 1 28 28 LEU C C 28 178.369 178.369 177.644 0.725 18710 2541 1 9 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.907 0.593 18710 2542 1 9 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.990 0.281 18710 2543 1 9 . 1 1 28 28 LEU H H 28 8.129 8.129 8.269 -0.140 18710 2544 1 9 . 1 1 29 29 ASP N N 29 117.215 117.215 117.518 -0.303 18710 2545 1 9 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.460 -0.077 18710 2546 1 9 . 1 1 29 29 ASP C C 29 178.274 178.274 176.985 1.289 18710 2547 1 9 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.056 0.020 18710 2548 1 9 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.191 -0.831 18710 2549 1 9 . 1 1 29 29 ASP H H 29 9.053 9.053 8.366 0.687 18710 2550 1 9 . 1 1 30 30 LYS N N 30 111.912 111.912 115.181 -3.269 18710 2551 1 9 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.401 0.044 18710 2552 1 9 . 1 1 30 30 LYS C C 30 176.629 176.629 176.397 0.232 18710 2553 1 9 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.957 -1.978 18710 2554 1 9 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.646 -1.968 18710 2555 1 9 . 1 1 30 30 LYS H H 30 6.601 6.601 7.548 -0.947 18710 2556 1 9 . 1 1 31 31 HIS N N 31 112.584 112.584 115.150 -2.566 18710 2557 1 9 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.391 0.169 18710 2558 1 9 . 1 1 31 31 HIS C C 31 174.202 174.202 174.306 -0.104 18710 2559 1 9 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.686 -0.552 18710 2560 1 9 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.178 -0.568 18710 2561 1 9 . 1 1 31 31 HIS H H 31 6.937 6.937 7.825 -0.888 18710 2562 1 9 . 1 1 32 32 ALA N N 32 120.390 120.390 122.423 -2.033 18710 2563 1 9 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.046 0.007 18710 2564 1 9 . 1 1 32 32 ALA C C 32 175.340 175.340 176.507 -1.167 18710 2565 1 9 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.578 -0.969 18710 2566 1 9 . 1 1 32 32 ALA CB C 32 18.912 18.912 20.817 -1.905 18710 2567 1 9 . 1 1 32 32 ALA H H 32 7.639 7.639 7.938 -0.299 18710 2568 1 9 . 1 1 33 33 ARG N N 33 116.855 116.855 117.071 -0.216 18710 2569 1 9 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.570 -0.479 18710 2570 1 9 . 1 1 33 33 ARG C C 33 176.630 176.630 177.524 -0.894 18710 2571 1 9 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.224 -0.286 18710 2572 1 9 . 1 1 33 33 ARG CB C 33 30.555 30.555 32.237 -1.683 18710 2573 1 9 . 1 1 33 33 ARG H H 33 8.270 8.270 8.065 0.205 18710 2574 1 9 . 1 1 34 34 SER N N 34 109.872 109.872 112.850 -2.978 18710 2575 1 9 . 1 1 34 34 SER HA H 34 4.563 4.563 4.531 0.032 18710 2576 1 9 . 1 1 34 34 SER C C 34 173.047 173.047 174.633 -1.586 18710 2577 1 9 . 1 1 34 34 SER CA C 34 57.747 57.747 57.701 0.046 18710 2578 1 9 . 1 1 34 34 SER CB C 34 65.477 65.477 64.693 0.784 18710 2579 1 9 . 1 1 34 34 SER H H 34 8.073 8.073 7.787 0.286 18710 2580 1 9 . 1 1 35 35 GLY N N 35 107.697 107.697 111.715 -4.018 18710 2581 1 9 . 1 1 35 35 GLY C C 35 170.741 170.741 174.414 -3.673 18710 2582 1 9 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.322 0.596 18710 2583 1 9 . 1 1 35 35 GLY H H 35 8.869 8.869 8.344 0.525 18710 2584 1 9 . 1 1 36 36 GLU N N 36 118.971 118.971 119.248 -0.277 18710 2585 1 9 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.423 -0.271 18710 2586 1 9 . 1 1 36 36 GLU C C 36 173.995 173.995 176.043 -2.048 18710 2587 1 9 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.629 -0.138 18710 2588 1 9 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.151 0.123 18710 2589 1 9 . 1 1 36 36 GLU H H 36 8.226 8.226 7.830 0.396 18710 2590 1 9 . 1 1 37 37 CYS N N 37 120.679 120.679 120.361 0.318 18710 2591 1 9 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.156 0.958 18710 2592 1 9 . 1 1 37 37 CYS C C 37 173.692 173.692 174.423 -0.731 18710 2593 1 9 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.456 -2.140 18710 2594 1 9 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.582 17.356 18710 2595 1 9 . 1 1 37 37 CYS H H 37 8.851 8.851 8.524 0.327 18710 2596 1 9 . 1 1 38 38 PHE N N 38 120.484 120.484 119.671 0.813 18710 2597 1 9 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.725 -0.050 18710 2598 1 9 . 1 1 38 38 PHE C C 38 175.480 175.480 174.050 1.430 18710 2599 1 9 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.566 0.173 18710 2600 1 9 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.956 0.824 18710 2601 1 9 . 1 1 38 38 PHE H H 38 9.072 9.072 8.363 0.709 18710 2602 1 9 . 1 1 39 39 TYR N N 39 122.666 122.666 119.587 3.079 18710 2603 1 9 . 1 1 39 39 TYR HA H 39 4.788 4.788 4.966 -0.178 18710 2604 1 9 . 1 1 39 39 TYR C C 39 176.738 176.738 176.391 0.347 18710 2605 1 9 . 1 1 39 39 TYR CA C 39 58.938 58.938 58.454 0.484 18710 2606 1 9 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.235 1.025 18710 2607 1 9 . 1 1 39 39 TYR H H 39 9.002 9.002 8.761 0.241 18710 2608 1 9 . 1 1 40 40 ASP N N 40 123.525 123.525 124.554 -1.029 18710 2609 1 9 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.838 -0.150 18710 2610 1 9 . 1 1 40 40 ASP C C 40 178.719 178.719 177.329 1.390 18710 2611 1 9 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.733 -0.503 18710 2612 1 9 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.883 -0.919 18710 2613 1 9 . 1 1 40 40 ASP H H 40 8.707 8.707 8.039 0.668 18710 2614 1 9 . 1 1 41 41 GLU N N 41 118.054 118.054 120.072 -2.018 18710 2615 1 9 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.230 -0.081 18710 2616 1 9 . 1 1 41 41 GLU C C 41 177.487 177.487 176.863 0.624 18710 2617 1 9 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.103 -0.183 18710 2618 1 9 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.698 -1.045 18710 2619 1 9 . 1 1 41 41 GLU H H 41 9.098 9.098 8.916 0.182 18710 2620 1 9 . 1 1 42 42 LYS N N 42 120.287 120.287 117.292 2.995 18710 2621 1 9 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.459 -0.088 18710 2622 1 9 . 1 1 42 42 LYS C C 42 175.319 175.319 175.714 -0.395 18710 2623 1 9 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.589 -0.202 18710 2624 1 9 . 1 1 42 42 LYS CB C 42 31.935 31.935 32.031 -0.096 18710 2625 1 9 . 1 1 42 42 LYS H H 42 8.104 8.104 7.967 0.137 18710 2626 1 9 . 1 1 43 43 ARG N N 43 113.150 113.150 116.063 -2.913 18710 2627 1 9 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.199 -0.625 18710 2628 1 9 . 1 1 43 43 ARG C C 43 174.823 174.823 174.839 -0.016 18710 2629 1 9 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.152 -0.033 18710 2630 1 9 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.112 -2.528 18710 2631 1 9 . 1 1 43 43 ARG H H 43 8.305 8.305 7.620 0.685 18710 2632 1 9 . 1 1 44 44 ASN N N 44 118.284 118.284 116.155 2.129 18710 2633 1 9 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.749 0.205 18710 2634 1 9 . 1 1 44 44 ASN C C 44 174.806 174.806 174.731 0.075 18710 2635 1 9 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.187 0.466 18710 2636 1 9 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.358 -0.276 18710 2637 1 9 . 1 1 44 44 ASN H H 44 8.771 8.771 7.891 0.880 18710 2638 1 9 . 1 1 45 45 LEU N N 45 126.852 126.852 123.055 3.797 18710 2639 1 9 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.304 -0.264 18710 2640 1 9 . 1 1 45 45 LEU C C 45 175.554 175.554 176.248 -0.694 18710 2641 1 9 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.583 0.447 18710 2642 1 9 . 1 1 45 45 LEU CB C 45 42.855 42.855 41.258 1.597 18710 2643 1 9 . 1 1 45 45 LEU H H 45 8.740 8.740 8.446 0.294 18710 2644 1 9 . 1 1 46 46 GLN N N 46 120.892 120.892 121.167 -0.275 18710 2645 1 9 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.496 0.144 18710 2646 1 9 . 1 1 46 46 GLN C C 46 174.603 174.603 175.031 -0.428 18710 2647 1 9 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.428 0.369 18710 2648 1 9 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.662 1.738 18710 2649 1 9 . 1 1 46 46 GLN H H 46 8.462 8.462 8.259 0.203 18710 2650 1 9 . 1 1 47 47 CYS N N 47 122.189 122.189 124.499 -2.310 18710 2651 1 9 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.253 0.501 18710 2652 1 9 . 1 1 47 47 CYS C C 47 171.892 171.892 174.462 -2.570 18710 2653 1 9 . 1 1 47 47 CYS CA C 47 55.011 55.011 60.016 -5.005 18710 2654 1 9 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.422 12.641 18710 2655 1 9 . 1 1 47 47 CYS H H 47 9.292 9.292 8.924 0.368 18710 2656 1 9 . 1 1 48 48 ILE N N 48 129.091 129.091 126.356 2.735 18710 2657 1 9 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.688 -0.418 18710 2658 1 9 . 1 1 48 48 ILE C C 48 175.922 175.922 175.392 0.530 18710 2659 1 9 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.231 0.100 18710 2660 1 9 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.713 -1.750 18710 2661 1 9 . 1 1 48 48 ILE H H 48 8.724 8.724 9.081 -0.357 18710 2662 1 9 . 1 1 49 49 CYS N N 49 126.727 126.727 128.238 -1.511 18710 2663 1 9 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.273 0.955 18710 2664 1 9 . 1 1 49 49 CYS C C 49 172.511 172.511 173.424 -0.913 18710 2665 1 9 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.712 -8.121 18710 2666 1 9 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.762 8.773 18710 2667 1 9 . 1 1 49 49 CYS H H 49 8.457 8.457 8.775 -0.318 18710 2668 1 9 . 1 1 50 50 ASP N N 50 122.574 122.574 124.984 -2.410 18710 2669 1 9 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.852 0.658 18710 2670 1 9 . 1 1 50 50 ASP C C 50 176.217 176.217 174.713 1.504 18710 2671 1 9 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.299 -0.216 18710 2672 1 9 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.968 0.902 18710 2673 1 9 . 1 1 50 50 ASP H H 50 8.896 8.896 8.469 0.427 18710 2674 1 9 . 1 1 51 51 TYR N N 51 125.641 125.641 122.057 3.584 18710 2675 1 9 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.763 -0.647 18710 2676 1 9 . 1 1 51 51 TYR C C 51 175.491 175.491 175.208 0.283 18710 2677 1 9 . 1 1 51 51 TYR CA C 51 59.295 59.295 56.592 2.703 18710 2678 1 9 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.984 1.556 18710 2679 1 9 . 1 1 51 51 TYR H H 51 9.819 9.819 7.856 1.963 18710 2680 1 9 . 1 1 52 52 CYS N N 52 121.040 121.040 117.877 3.163 18710 2681 1 9 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.559 -0.187 18710 2682 1 9 . 1 1 52 52 CYS C C 52 173.129 173.129 174.066 -0.937 18710 2683 1 9 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.549 -3.524 18710 2684 1 9 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.652 13.588 18710 2685 1 9 . 1 1 52 52 CYS H H 52 9.700 9.700 7.670 2.030 18710 2686 1 9 . 1 1 53 53 GLU N N 53 121.628 121.628 122.002 -0.374 18710 2687 1 9 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.672 -0.407 18710 2688 1 9 . 1 1 53 53 GLU C C 53 174.253 174.253 176.078 -1.825 18710 2689 1 9 . 1 1 53 53 GLU CA C 53 55.200 55.200 56.068 -0.868 18710 2690 1 9 . 1 1 53 53 GLU CB C 53 31.198 31.198 29.019 2.179 18710 2691 1 9 . 1 1 53 53 GLU H H 53 8.466 8.466 8.813 -0.347 18710 2692 1 10 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.195 0.051 18710 2693 1 10 . 1 1 3 3 LYS C C 3 176.970 176.970 178.181 -1.211 18710 2694 1 10 . 1 1 3 3 LYS CA C 3 57.314 57.314 57.536 -0.222 18710 2695 1 10 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.957 -0.446 18710 2696 1 10 . 1 1 4 4 CYS N N 4 117.663 117.663 116.340 1.323 18710 2697 1 10 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.500 0.114 18710 2698 1 10 . 1 1 4 4 CYS C C 4 174.336 174.336 174.901 -0.565 18710 2699 1 10 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.662 -2.381 18710 2700 1 10 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.540 14.789 18710 2701 1 10 . 1 1 4 4 CYS H H 4 8.552 8.552 8.517 0.035 18710 2702 1 10 . 1 1 5 5 LYS N N 5 118.468 118.468 120.885 -2.417 18710 2703 1 10 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.708 0.811 18710 2704 1 10 . 1 1 5 5 LYS C C 5 176.806 176.806 175.791 1.015 18710 2705 1 10 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.199 -0.444 18710 2706 1 10 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.351 3.197 18710 2707 1 10 . 1 1 5 5 LYS H H 5 8.067 8.067 7.822 0.245 18710 2708 1 10 . 1 1 6 6 LYS N N 6 121.028 121.028 125.309 -4.281 18710 2709 1 10 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.612 0.104 18710 2710 1 10 . 1 1 6 6 LYS C C 6 176.149 176.149 174.288 1.861 18710 2711 1 10 . 1 1 6 6 LYS CA C 6 55.267 55.267 54.911 0.355 18710 2712 1 10 . 1 1 6 6 LYS CB C 6 36.779 36.779 35.877 0.902 18710 2713 1 10 . 1 1 6 6 LYS H H 6 9.043 9.043 8.848 0.195 18710 2714 1 10 . 1 1 7 7 VAL N N 7 128.686 128.686 123.382 5.304 18710 2715 1 10 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.328 -0.431 18710 2716 1 10 . 1 1 7 7 VAL C C 7 175.013 175.013 175.105 -0.092 18710 2717 1 10 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.118 3.698 18710 2718 1 10 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.279 -0.137 18710 2719 1 10 . 1 1 7 7 VAL H H 7 8.991 8.991 8.480 0.511 18710 2720 1 10 . 1 1 8 8 TYR N N 8 129.909 129.909 125.726 4.183 18710 2721 1 10 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.881 -0.510 18710 2722 1 10 . 1 1 8 8 TYR C C 8 175.018 175.018 174.573 0.445 18710 2723 1 10 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.715 -1.328 18710 2724 1 10 . 1 1 8 8 TYR CB C 8 35.820 35.820 40.141 -4.321 18710 2725 1 10 . 1 1 8 8 TYR H H 8 9.265 9.265 7.866 1.399 18710 2726 1 10 . 1 1 9 9 GLU N N 9 131.262 131.262 125.102 6.160 18710 2727 1 10 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.821 0.290 18710 2728 1 10 . 1 1 9 9 GLU C C 9 177.071 177.071 177.214 -0.143 18710 2729 1 10 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.402 0.757 18710 2730 1 10 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.882 -0.794 18710 2731 1 10 . 1 1 9 9 GLU H H 9 9.217 9.217 8.676 0.541 18710 2732 1 10 . 1 1 10 10 ASN N N 10 115.995 115.995 115.553 0.442 18710 2733 1 10 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.468 -0.114 18710 2734 1 10 . 1 1 10 10 ASN C C 10 174.465 174.465 174.610 -0.145 18710 2735 1 10 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.353 -0.852 18710 2736 1 10 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.705 -0.633 18710 2737 1 10 . 1 1 10 10 ASN H H 10 9.445 9.445 8.518 0.927 18710 2738 1 10 . 1 1 11 11 TYR N N 11 122.981 122.981 118.197 4.784 18710 2739 1 10 . 1 1 11 11 TYR HA H 11 4.108 4.108 4.974 -0.866 18710 2740 1 10 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.285 3.110 18710 2741 1 10 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.218 1.083 18710 2742 1 10 . 1 1 11 11 TYR H H 11 7.533 7.533 8.098 -0.565 18710 2743 1 10 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.154 0.254 18710 2744 1 10 . 1 1 12 12 PRO C C 12 176.771 176.771 177.604 -0.833 18710 2745 1 10 . 1 1 12 12 PRO CA C 12 62.008 62.008 62.065 -0.057 18710 2746 1 10 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.458 -2.140 18710 2747 1 10 . 1 1 13 13 VAL N N 13 124.171 124.171 119.336 4.835 18710 2748 1 10 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.803 -0.019 18710 2749 1 10 . 1 1 13 13 VAL C C 13 178.748 178.748 177.465 1.283 18710 2750 1 10 . 1 1 13 13 VAL CA C 13 65.650 65.650 64.424 1.226 18710 2751 1 10 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.694 -0.229 18710 2752 1 10 . 1 1 13 13 VAL H H 13 8.195 8.195 8.307 -0.112 18710 2753 1 10 . 1 1 14 14 SER N N 14 118.320 118.320 114.872 3.448 18710 2754 1 10 . 1 1 14 14 SER HA H 14 4.092 4.092 4.120 -0.028 18710 2755 1 10 . 1 1 14 14 SER C C 14 177.862 177.862 176.561 1.301 18710 2756 1 10 . 1 1 14 14 SER CA C 14 61.300 61.300 61.441 -0.141 18710 2757 1 10 . 1 1 14 14 SER CB C 14 61.302 61.302 62.765 -1.463 18710 2758 1 10 . 1 1 14 14 SER H H 14 8.577 8.577 8.177 0.400 18710 2759 1 10 . 1 1 15 15 LYS N N 15 121.997 121.997 119.375 2.622 18710 2760 1 10 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.362 -0.359 18710 2761 1 10 . 1 1 15 15 LYS C C 15 178.744 178.744 177.827 0.917 18710 2762 1 10 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.351 1.359 18710 2763 1 10 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.663 -1.276 18710 2764 1 10 . 1 1 15 15 LYS H H 15 7.886 7.886 7.687 0.199 18710 2765 1 10 . 1 1 16 16 CYS N N 16 115.824 115.824 120.003 -4.179 18710 2766 1 10 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.433 0.267 18710 2767 1 10 . 1 1 16 16 CYS C C 16 175.843 175.843 176.301 -0.458 18710 2768 1 10 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.479 -2.427 18710 2769 1 10 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.438 14.975 18710 2770 1 10 . 1 1 16 16 CYS H H 16 7.848 7.848 8.198 -0.350 18710 2771 1 10 . 1 1 17 17 GLN N N 17 115.165 115.165 117.604 -2.439 18710 2772 1 10 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.075 0.077 18710 2773 1 10 . 1 1 17 17 GLN C C 17 175.310 175.310 176.506 -1.196 18710 2774 1 10 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.675 -1.426 18710 2775 1 10 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.792 -0.136 18710 2776 1 10 . 1 1 17 17 GLN H H 17 7.398 7.398 7.928 -0.530 18710 2777 1 10 . 1 1 18 18 LEU N N 18 121.702 121.702 119.691 2.011 18710 2778 1 10 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.584 -0.101 18710 2779 1 10 . 1 1 18 18 LEU C C 18 176.211 176.211 176.354 -0.143 18710 2780 1 10 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.316 0.052 18710 2781 1 10 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.728 -0.550 18710 2782 1 10 . 1 1 18 18 LEU H H 18 7.354 7.354 8.038 -0.684 18710 2783 1 10 . 1 1 19 19 ALA N N 19 128.501 128.501 128.180 0.321 18710 2784 1 10 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.887 0.188 18710 2785 1 10 . 1 1 19 19 ALA C C 19 179.107 179.107 177.912 1.195 18710 2786 1 10 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.793 -0.895 18710 2787 1 10 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.722 -0.723 18710 2788 1 10 . 1 1 19 19 ALA H H 19 8.735 8.735 8.912 -0.177 18710 2789 1 10 . 1 1 20 20 ASN N N 20 116.786 116.786 113.830 2.956 18710 2790 1 10 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.556 0.022 18710 2791 1 10 . 1 1 20 20 ASN C C 20 174.900 174.900 176.821 -1.921 18710 2792 1 10 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.994 0.144 18710 2793 1 10 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.886 1.438 18710 2794 1 10 . 1 1 20 20 ASN H H 20 9.284 9.284 8.062 1.222 18710 2795 1 10 . 1 1 21 21 GLN N N 21 123.178 123.178 121.384 1.794 18710 2796 1 10 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.024 -0.247 18710 2797 1 10 . 1 1 21 21 GLN C C 21 176.327 176.327 177.603 -1.276 18710 2798 1 10 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.830 0.639 18710 2799 1 10 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.546 0.892 18710 2800 1 10 . 1 1 21 21 GLN H H 21 7.696 7.696 8.631 -0.935 18710 2801 1 10 . 1 1 22 22 CYS N N 22 119.327 119.327 118.326 1.001 18710 2802 1 10 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.291 -0.037 18710 2803 1 10 . 1 1 22 22 CYS C C 22 175.955 175.955 177.289 -1.334 18710 2804 1 10 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.150 -4.758 18710 2805 1 10 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.112 12.462 18710 2806 1 10 . 1 1 22 22 CYS H H 22 8.495 8.495 7.863 0.632 18710 2807 1 10 . 1 1 23 23 ASN N N 23 119.489 119.489 117.982 1.507 18710 2808 1 10 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.409 -0.644 18710 2809 1 10 . 1 1 23 23 ASN C C 23 175.773 175.773 177.681 -1.908 18710 2810 1 10 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.338 1.527 18710 2811 1 10 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.398 1.863 18710 2812 1 10 . 1 1 23 23 ASN H H 23 8.224 8.224 8.130 0.094 18710 2813 1 10 . 1 1 24 24 TYR N N 24 118.459 118.459 120.957 -2.498 18710 2814 1 10 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.115 -0.289 18710 2815 1 10 . 1 1 24 24 TYR C C 24 178.310 178.310 178.227 0.083 18710 2816 1 10 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.062 -0.322 18710 2817 1 10 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.054 0.516 18710 2818 1 10 . 1 1 24 24 TYR H H 24 8.296 8.296 7.906 0.390 18710 2819 1 10 . 1 1 25 25 ASP N N 25 119.944 119.944 119.671 0.273 18710 2820 1 10 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.431 0.173 18710 2821 1 10 . 1 1 25 25 ASP C C 25 179.719 179.719 179.123 0.596 18710 2822 1 10 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.310 0.294 18710 2823 1 10 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.220 0.164 18710 2824 1 10 . 1 1 25 25 ASP H H 25 9.105 9.105 8.527 0.578 18710 2825 1 10 . 1 1 26 26 CYS N N 26 120.503 120.503 119.350 1.153 18710 2826 1 10 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.524 -0.447 18710 2827 1 10 . 1 1 26 26 CYS C C 26 177.789 177.789 177.847 -0.058 18710 2828 1 10 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.414 -1.886 18710 2829 1 10 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.552 10.088 18710 2830 1 10 . 1 1 26 26 CYS H H 26 9.403 9.403 9.210 0.193 18710 2831 1 10 . 1 1 27 27 LYS N N 27 119.866 119.866 120.250 -0.384 18710 2832 1 10 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.172 -0.169 18710 2833 1 10 . 1 1 27 27 LYS C C 27 177.792 177.792 178.994 -1.202 18710 2834 1 10 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.286 0.424 18710 2835 1 10 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.576 -0.374 18710 2836 1 10 . 1 1 27 27 LYS H H 27 7.652 7.652 8.390 -0.738 18710 2837 1 10 . 1 1 28 28 LEU N N 28 119.921 119.921 119.590 0.331 18710 2838 1 10 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.933 0.088 18710 2839 1 10 . 1 1 28 28 LEU C C 28 178.369 178.369 177.658 0.711 18710 2840 1 10 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.911 0.590 18710 2841 1 10 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.981 0.290 18710 2842 1 10 . 1 1 28 28 LEU H H 28 8.129 8.129 8.267 -0.138 18710 2843 1 10 . 1 1 29 29 ASP N N 29 117.215 117.215 117.497 -0.282 18710 2844 1 10 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.462 -0.079 18710 2845 1 10 . 1 1 29 29 ASP C C 29 178.274 178.274 176.962 1.312 18710 2846 1 10 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.080 -0.004 18710 2847 1 10 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.194 -0.834 18710 2848 1 10 . 1 1 29 29 ASP H H 29 9.053 9.053 8.369 0.684 18710 2849 1 10 . 1 1 30 30 LYS N N 30 111.912 111.912 115.227 -3.315 18710 2850 1 10 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.422 0.023 18710 2851 1 10 . 1 1 30 30 LYS C C 30 176.629 176.629 176.197 0.432 18710 2852 1 10 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.853 -1.875 18710 2853 1 10 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.609 -1.931 18710 2854 1 10 . 1 1 30 30 LYS H H 30 6.601 6.601 7.590 -0.989 18710 2855 1 10 . 1 1 31 31 HIS N N 31 112.584 112.584 115.447 -2.863 18710 2856 1 10 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.362 0.198 18710 2857 1 10 . 1 1 31 31 HIS C C 31 174.202 174.202 173.851 0.351 18710 2858 1 10 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.775 -0.641 18710 2859 1 10 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.180 -0.570 18710 2860 1 10 . 1 1 31 31 HIS H H 31 6.937 6.937 7.671 -0.734 18710 2861 1 10 . 1 1 32 32 ALA N N 32 120.390 120.390 122.171 -1.781 18710 2862 1 10 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.374 -0.321 18710 2863 1 10 . 1 1 32 32 ALA C C 32 175.340 175.340 177.097 -1.757 18710 2864 1 10 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.660 -1.052 18710 2865 1 10 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.311 -2.399 18710 2866 1 10 . 1 1 32 32 ALA H H 32 7.639 7.639 8.095 -0.456 18710 2867 1 10 . 1 1 33 33 ARG N N 33 116.855 116.855 117.297 -0.442 18710 2868 1 10 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.493 -0.402 18710 2869 1 10 . 1 1 33 33 ARG C C 33 176.630 176.630 177.569 -0.939 18710 2870 1 10 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.509 -0.571 18710 2871 1 10 . 1 1 33 33 ARG CB C 33 30.555 30.555 31.613 -1.058 18710 2872 1 10 . 1 1 33 33 ARG H H 33 8.270 8.270 8.239 0.031 18710 2873 1 10 . 1 1 34 34 SER N N 34 109.872 109.872 111.445 -1.573 18710 2874 1 10 . 1 1 34 34 SER HA H 34 4.563 4.563 4.543 0.020 18710 2875 1 10 . 1 1 34 34 SER C C 34 173.047 173.047 173.564 -0.517 18710 2876 1 10 . 1 1 34 34 SER CA C 34 57.747 57.747 58.177 -0.430 18710 2877 1 10 . 1 1 34 34 SER CB C 34 65.477 65.477 64.448 1.029 18710 2878 1 10 . 1 1 34 34 SER H H 34 8.073 8.073 7.918 0.155 18710 2879 1 10 . 1 1 35 35 GLY N N 35 107.697 107.697 111.117 -3.420 18710 2880 1 10 . 1 1 35 35 GLY C C 35 170.741 170.741 174.509 -3.768 18710 2881 1 10 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.276 0.642 18710 2882 1 10 . 1 1 35 35 GLY H H 35 8.869 8.869 8.222 0.647 18710 2883 1 10 . 1 1 36 36 GLU N N 36 118.971 118.971 119.406 -0.435 18710 2884 1 10 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.441 -0.289 18710 2885 1 10 . 1 1 36 36 GLU C C 36 173.995 173.995 176.138 -2.143 18710 2886 1 10 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.702 -0.211 18710 2887 1 10 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.147 0.127 18710 2888 1 10 . 1 1 36 36 GLU H H 36 8.226 8.226 7.994 0.232 18710 2889 1 10 . 1 1 37 37 CYS N N 37 120.679 120.679 120.609 0.070 18710 2890 1 10 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.171 0.943 18710 2891 1 10 . 1 1 37 37 CYS C C 37 173.692 173.692 174.481 -0.789 18710 2892 1 10 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.570 -2.254 18710 2893 1 10 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.574 17.364 18710 2894 1 10 . 1 1 37 37 CYS H H 37 8.851 8.851 8.566 0.285 18710 2895 1 10 . 1 1 38 38 PHE N N 38 120.484 120.484 119.549 0.935 18710 2896 1 10 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.729 -0.054 18710 2897 1 10 . 1 1 38 38 PHE C C 38 175.480 175.480 173.921 1.559 18710 2898 1 10 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.482 0.256 18710 2899 1 10 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.842 0.938 18710 2900 1 10 . 1 1 38 38 PHE H H 38 9.072 9.072 8.356 0.716 18710 2901 1 10 . 1 1 39 39 TYR N N 39 122.666 122.666 119.932 2.734 18710 2902 1 10 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.030 -0.242 18710 2903 1 10 . 1 1 39 39 TYR C C 39 176.738 176.738 175.822 0.916 18710 2904 1 10 . 1 1 39 39 TYR CA C 39 58.938 58.938 58.088 0.850 18710 2905 1 10 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.157 1.103 18710 2906 1 10 . 1 1 39 39 TYR H H 39 9.002 9.002 8.781 0.221 18710 2907 1 10 . 1 1 40 40 ASP N N 40 123.525 123.525 124.651 -1.126 18710 2908 1 10 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.778 -0.090 18710 2909 1 10 . 1 1 40 40 ASP C C 40 178.719 178.719 177.439 1.280 18710 2910 1 10 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.442 -0.212 18710 2911 1 10 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.850 -0.886 18710 2912 1 10 . 1 1 40 40 ASP H H 40 8.707 8.707 8.077 0.630 18710 2913 1 10 . 1 1 41 41 GLU N N 41 118.054 118.054 119.922 -1.868 18710 2914 1 10 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.181 -0.032 18710 2915 1 10 . 1 1 41 41 GLU C C 41 177.487 177.487 176.852 0.635 18710 2916 1 10 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.162 -0.242 18710 2917 1 10 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.318 -0.665 18710 2918 1 10 . 1 1 41 41 GLU H H 41 9.098 9.098 8.928 0.170 18710 2919 1 10 . 1 1 42 42 LYS N N 42 120.287 120.287 117.229 3.058 18710 2920 1 10 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.480 -0.109 18710 2921 1 10 . 1 1 42 42 LYS C C 42 175.319 175.319 175.637 -0.318 18710 2922 1 10 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.613 -0.226 18710 2923 1 10 . 1 1 42 42 LYS CB C 42 31.935 31.935 31.924 0.011 18710 2924 1 10 . 1 1 42 42 LYS H H 42 8.104 8.104 7.912 0.192 18710 2925 1 10 . 1 1 43 43 ARG N N 43 113.150 113.150 116.092 -2.942 18710 2926 1 10 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.147 -0.573 18710 2927 1 10 . 1 1 43 43 ARG C C 43 174.823 174.823 174.735 0.088 18710 2928 1 10 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.117 0.002 18710 2929 1 10 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.473 -2.889 18710 2930 1 10 . 1 1 43 43 ARG H H 43 8.305 8.305 7.653 0.652 18710 2931 1 10 . 1 1 44 44 ASN N N 44 118.284 118.284 115.494 2.790 18710 2932 1 10 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.780 0.174 18710 2933 1 10 . 1 1 44 44 ASN C C 44 174.806 174.806 174.725 0.081 18710 2934 1 10 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.020 0.633 18710 2935 1 10 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.432 -0.351 18710 2936 1 10 . 1 1 44 44 ASN H H 44 8.771 8.771 7.824 0.947 18710 2937 1 10 . 1 1 45 45 LEU N N 45 126.852 126.852 123.106 3.746 18710 2938 1 10 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.356 -0.316 18710 2939 1 10 . 1 1 45 45 LEU C C 45 175.554 175.554 176.315 -0.761 18710 2940 1 10 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.529 0.501 18710 2941 1 10 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.982 1.873 18710 2942 1 10 . 1 1 45 45 LEU H H 45 8.740 8.740 8.464 0.276 18710 2943 1 10 . 1 1 46 46 GLN N N 46 120.892 120.892 121.427 -0.535 18710 2944 1 10 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.488 0.152 18710 2945 1 10 . 1 1 46 46 GLN C C 46 174.603 174.603 175.098 -0.495 18710 2946 1 10 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.439 0.358 18710 2947 1 10 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.422 1.978 18710 2948 1 10 . 1 1 46 46 GLN H H 46 8.462 8.462 8.291 0.171 18710 2949 1 10 . 1 1 47 47 CYS N N 47 122.189 122.189 124.686 -2.497 18710 2950 1 10 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.263 0.491 18710 2951 1 10 . 1 1 47 47 CYS C C 47 171.892 171.892 174.596 -2.704 18710 2952 1 10 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.920 -4.909 18710 2953 1 10 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.505 12.558 18710 2954 1 10 . 1 1 47 47 CYS H H 47 9.292 9.292 8.896 0.396 18710 2955 1 10 . 1 1 48 48 ILE N N 48 129.091 129.091 126.363 2.728 18710 2956 1 10 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.693 -0.423 18710 2957 1 10 . 1 1 48 48 ILE C C 48 175.922 175.922 175.406 0.516 18710 2958 1 10 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.220 0.111 18710 2959 1 10 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.633 -1.669 18710 2960 1 10 . 1 1 48 48 ILE H H 48 8.724 8.724 9.087 -0.363 18710 2961 1 10 . 1 1 49 49 CYS N N 49 126.727 126.727 128.531 -1.804 18710 2962 1 10 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.302 0.926 18710 2963 1 10 . 1 1 49 49 CYS C C 49 172.511 172.511 173.475 -0.964 18710 2964 1 10 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.392 -7.802 18710 2965 1 10 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.820 8.714 18710 2966 1 10 . 1 1 49 49 CYS H H 49 8.457 8.457 8.831 -0.374 18710 2967 1 10 . 1 1 50 50 ASP N N 50 122.574 122.574 125.314 -2.740 18710 2968 1 10 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.798 0.712 18710 2969 1 10 . 1 1 50 50 ASP C C 50 176.217 176.217 175.533 0.684 18710 2970 1 10 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.334 -0.251 18710 2971 1 10 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.719 1.151 18710 2972 1 10 . 1 1 50 50 ASP H H 50 8.896 8.896 8.566 0.330 18710 2973 1 10 . 1 1 51 51 TYR N N 51 125.641 125.641 123.758 1.883 18710 2974 1 10 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.621 -0.505 18710 2975 1 10 . 1 1 51 51 TYR C C 51 175.491 175.491 174.513 0.978 18710 2976 1 10 . 1 1 51 51 TYR CA C 51 59.295 59.295 58.001 1.294 18710 2977 1 10 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.618 1.922 18710 2978 1 10 . 1 1 51 51 TYR H H 51 9.819 9.819 7.629 2.190 18710 2979 1 10 . 1 1 52 52 CYS N N 52 121.040 121.040 117.343 3.697 18710 2980 1 10 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.547 -0.175 18710 2981 1 10 . 1 1 52 52 CYS C C 52 173.129 173.129 173.815 -0.686 18710 2982 1 10 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.302 -3.277 18710 2983 1 10 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.600 13.641 18710 2984 1 10 . 1 1 52 52 CYS H H 52 9.700 9.700 7.499 2.201 18710 2985 1 10 . 1 1 53 53 GLU N N 53 121.628 121.628 122.239 -0.611 18710 2986 1 10 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.690 -0.425 18710 2987 1 10 . 1 1 53 53 GLU C C 53 174.253 174.253 175.755 -1.502 18710 2988 1 10 . 1 1 53 53 GLU CA C 53 55.200 55.200 56.170 -0.970 18710 2989 1 10 . 1 1 53 53 GLU CB C 53 31.198 31.198 28.215 2.983 18710 2990 1 10 . 1 1 53 53 GLU H H 53 8.466 8.466 8.704 -0.238 18710 2991 1 11 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.018 0.228 18710 2992 1 11 . 1 1 3 3 LYS C C 3 176.970 176.970 177.764 -0.794 18710 2993 1 11 . 1 1 3 3 LYS CA C 3 57.314 57.314 59.282 -1.968 18710 2994 1 11 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.512 -0.001 18710 2995 1 11 . 1 1 4 4 CYS N N 4 117.663 117.663 114.224 3.439 18710 2996 1 11 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.411 0.203 18710 2997 1 11 . 1 1 4 4 CYS C C 4 174.336 174.336 175.672 -1.336 18710 2998 1 11 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.174 -1.893 18710 2999 1 11 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.032 15.297 18710 3000 1 11 . 1 1 4 4 CYS H H 4 8.552 8.552 8.341 0.211 18710 3001 1 11 . 1 1 5 5 LYS N N 5 118.468 118.468 120.994 -2.526 18710 3002 1 11 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.447 1.072 18710 3003 1 11 . 1 1 5 5 LYS C C 5 176.806 176.806 175.780 1.026 18710 3004 1 11 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.331 -0.576 18710 3005 1 11 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.075 3.473 18710 3006 1 11 . 1 1 5 5 LYS H H 5 8.067 8.067 7.567 0.500 18710 3007 1 11 . 1 1 6 6 LYS N N 6 121.028 121.028 125.440 -4.412 18710 3008 1 11 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.605 0.111 18710 3009 1 11 . 1 1 6 6 LYS C C 6 176.149 176.149 174.338 1.811 18710 3010 1 11 . 1 1 6 6 LYS CA C 6 55.267 55.267 55.003 0.264 18710 3011 1 11 . 1 1 6 6 LYS CB C 6 36.779 36.779 35.922 0.856 18710 3012 1 11 . 1 1 6 6 LYS H H 6 9.043 9.043 8.650 0.393 18710 3013 1 11 . 1 1 7 7 VAL N N 7 128.686 128.686 123.075 5.611 18710 3014 1 11 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.237 -0.340 18710 3015 1 11 . 1 1 7 7 VAL C C 7 175.013 175.013 174.985 0.028 18710 3016 1 11 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.793 3.023 18710 3017 1 11 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.634 -0.492 18710 3018 1 11 . 1 1 7 7 VAL H H 7 8.991 8.991 8.439 0.552 18710 3019 1 11 . 1 1 8 8 TYR N N 8 129.909 129.909 125.930 3.979 18710 3020 1 11 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.870 -0.499 18710 3021 1 11 . 1 1 8 8 TYR C C 8 175.018 175.018 174.640 0.378 18710 3022 1 11 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.762 -1.375 18710 3023 1 11 . 1 1 8 8 TYR CB C 8 35.820 35.820 40.407 -4.587 18710 3024 1 11 . 1 1 8 8 TYR H H 8 9.265 9.265 7.906 1.359 18710 3025 1 11 . 1 1 9 9 GLU N N 9 131.262 131.262 125.116 6.146 18710 3026 1 11 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.796 0.315 18710 3027 1 11 . 1 1 9 9 GLU C C 9 177.071 177.071 177.086 -0.015 18710 3028 1 11 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.379 0.780 18710 3029 1 11 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.876 -0.788 18710 3030 1 11 . 1 1 9 9 GLU H H 9 9.217 9.217 8.646 0.571 18710 3031 1 11 . 1 1 10 10 ASN N N 10 115.995 115.995 115.548 0.447 18710 3032 1 11 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.453 -0.099 18710 3033 1 11 . 1 1 10 10 ASN C C 10 174.465 174.465 174.549 -0.084 18710 3034 1 11 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.317 -0.816 18710 3035 1 11 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.705 -0.633 18710 3036 1 11 . 1 1 10 10 ASN H H 10 9.445 9.445 8.473 0.972 18710 3037 1 11 . 1 1 11 11 TYR N N 11 122.981 122.981 117.962 5.019 18710 3038 1 11 . 1 1 11 11 TYR HA H 11 4.108 4.108 4.959 -0.851 18710 3039 1 11 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.130 3.265 18710 3040 1 11 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.075 1.225 18710 3041 1 11 . 1 1 11 11 TYR H H 11 7.533 7.533 7.845 -0.312 18710 3042 1 11 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.219 0.189 18710 3043 1 11 . 1 1 12 12 PRO C C 12 176.771 176.771 177.775 -1.004 18710 3044 1 11 . 1 1 12 12 PRO CA C 12 62.008 62.008 62.030 -0.022 18710 3045 1 11 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.442 -2.124 18710 3046 1 11 . 1 1 13 13 VAL N N 13 124.171 124.171 115.884 8.287 18710 3047 1 11 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.865 -0.081 18710 3048 1 11 . 1 1 13 13 VAL C C 13 178.748 178.748 177.298 1.450 18710 3049 1 11 . 1 1 13 13 VAL CA C 13 65.650 65.650 65.127 0.523 18710 3050 1 11 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.387 0.078 18710 3051 1 11 . 1 1 13 13 VAL H H 13 8.195 8.195 8.413 -0.218 18710 3052 1 11 . 1 1 14 14 SER N N 14 118.320 118.320 116.655 1.665 18710 3053 1 11 . 1 1 14 14 SER HA H 14 4.092 4.092 4.185 -0.093 18710 3054 1 11 . 1 1 14 14 SER C C 14 177.862 177.862 176.913 0.949 18710 3055 1 11 . 1 1 14 14 SER CA C 14 61.300 61.300 61.626 -0.326 18710 3056 1 11 . 1 1 14 14 SER CB C 14 61.302 61.302 62.278 -0.976 18710 3057 1 11 . 1 1 14 14 SER H H 14 8.577 8.577 8.284 0.292 18710 3058 1 11 . 1 1 15 15 LYS N N 15 121.997 121.997 119.734 2.263 18710 3059 1 11 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.311 -0.308 18710 3060 1 11 . 1 1 15 15 LYS C C 15 178.744 178.744 177.758 0.986 18710 3061 1 11 . 1 1 15 15 LYS CA C 15 59.710 59.710 57.587 2.123 18710 3062 1 11 . 1 1 15 15 LYS CB C 15 31.387 31.387 31.930 -0.543 18710 3063 1 11 . 1 1 15 15 LYS H H 15 7.886 7.886 7.802 0.084 18710 3064 1 11 . 1 1 16 16 CYS N N 16 115.824 115.824 119.727 -3.903 18710 3065 1 11 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.406 0.294 18710 3066 1 11 . 1 1 16 16 CYS C C 16 175.843 175.843 176.414 -0.571 18710 3067 1 11 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.617 -2.565 18710 3068 1 11 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.515 14.898 18710 3069 1 11 . 1 1 16 16 CYS H H 16 7.848 7.848 8.204 -0.356 18710 3070 1 11 . 1 1 17 17 GLN N N 17 115.165 115.165 117.593 -2.428 18710 3071 1 11 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.074 0.078 18710 3072 1 11 . 1 1 17 17 GLN C C 17 175.310 175.310 176.253 -0.943 18710 3073 1 11 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.649 -1.400 18710 3074 1 11 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.982 -0.326 18710 3075 1 11 . 1 1 17 17 GLN H H 17 7.398 7.398 7.735 -0.337 18710 3076 1 11 . 1 1 18 18 LEU N N 18 121.702 121.702 120.121 1.581 18710 3077 1 11 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.611 -0.128 18710 3078 1 11 . 1 1 18 18 LEU C C 18 176.211 176.211 176.253 -0.042 18710 3079 1 11 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.315 0.054 18710 3080 1 11 . 1 1 18 18 LEU CB C 18 42.178 42.178 43.323 -1.145 18710 3081 1 11 . 1 1 18 18 LEU H H 18 7.354 7.354 8.229 -0.875 18710 3082 1 11 . 1 1 19 19 ALA N N 19 128.501 128.501 128.381 0.120 18710 3083 1 11 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.913 0.162 18710 3084 1 11 . 1 1 19 19 ALA C C 19 179.107 179.107 177.867 1.240 18710 3085 1 11 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.757 -0.859 18710 3086 1 11 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.768 -0.769 18710 3087 1 11 . 1 1 19 19 ALA H H 19 8.735 8.735 8.887 -0.152 18710 3088 1 11 . 1 1 20 20 ASN N N 20 116.786 116.786 114.425 2.361 18710 3089 1 11 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.623 -0.045 18710 3090 1 11 . 1 1 20 20 ASN C C 20 174.900 174.900 177.294 -2.394 18710 3091 1 11 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.936 0.202 18710 3092 1 11 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.955 1.368 18710 3093 1 11 . 1 1 20 20 ASN H H 20 9.284 9.284 7.882 1.402 18710 3094 1 11 . 1 1 21 21 GLN N N 21 123.178 123.178 121.395 1.783 18710 3095 1 11 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.105 -0.328 18710 3096 1 11 . 1 1 21 21 GLN C C 21 176.327 176.327 177.386 -1.059 18710 3097 1 11 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.599 0.870 18710 3098 1 11 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.737 0.701 18710 3099 1 11 . 1 1 21 21 GLN H H 21 7.696 7.696 8.659 -0.963 18710 3100 1 11 . 1 1 22 22 CYS N N 22 119.327 119.327 118.670 0.657 18710 3101 1 11 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.276 -0.022 18710 3102 1 11 . 1 1 22 22 CYS C C 22 175.955 175.955 177.292 -1.337 18710 3103 1 11 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.193 -4.801 18710 3104 1 11 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.104 12.470 18710 3105 1 11 . 1 1 22 22 CYS H H 22 8.495 8.495 7.865 0.630 18710 3106 1 11 . 1 1 23 23 ASN N N 23 119.489 119.489 117.727 1.762 18710 3107 1 11 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.417 -0.652 18710 3108 1 11 . 1 1 23 23 ASN C C 23 175.773 175.773 177.616 -1.843 18710 3109 1 11 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.347 1.518 18710 3110 1 11 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.379 1.882 18710 3111 1 11 . 1 1 23 23 ASN H H 23 8.224 8.224 8.205 0.019 18710 3112 1 11 . 1 1 24 24 TYR N N 24 118.459 118.459 121.046 -2.587 18710 3113 1 11 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.114 -0.288 18710 3114 1 11 . 1 1 24 24 TYR C C 24 178.310 178.310 178.308 0.002 18710 3115 1 11 . 1 1 24 24 TYR CA C 24 61.740 61.740 61.989 -0.249 18710 3116 1 11 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.040 0.530 18710 3117 1 11 . 1 1 24 24 TYR H H 24 8.296 8.296 7.795 0.501 18710 3118 1 11 . 1 1 25 25 ASP N N 25 119.944 119.944 119.504 0.440 18710 3119 1 11 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.439 0.165 18710 3120 1 11 . 1 1 25 25 ASP C C 25 179.719 179.719 179.097 0.622 18710 3121 1 11 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.330 0.274 18710 3122 1 11 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.302 0.082 18710 3123 1 11 . 1 1 25 25 ASP H H 25 9.105 9.105 8.591 0.514 18710 3124 1 11 . 1 1 26 26 CYS N N 26 120.503 120.503 119.608 0.895 18710 3125 1 11 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.463 -0.386 18710 3126 1 11 . 1 1 26 26 CYS C C 26 177.789 177.789 177.953 -0.164 18710 3127 1 11 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.570 -2.042 18710 3128 1 11 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.623 10.017 18710 3129 1 11 . 1 1 26 26 CYS H H 26 9.403 9.403 9.198 0.205 18710 3130 1 11 . 1 1 27 27 LYS N N 27 119.866 119.866 120.117 -0.251 18710 3131 1 11 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.161 -0.158 18710 3132 1 11 . 1 1 27 27 LYS C C 27 177.792 177.792 179.047 -1.255 18710 3133 1 11 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.319 0.391 18710 3134 1 11 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.541 -0.339 18710 3135 1 11 . 1 1 27 27 LYS H H 27 7.652 7.652 8.456 -0.804 18710 3136 1 11 . 1 1 28 28 LEU N N 28 119.921 119.921 119.551 0.370 18710 3137 1 11 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.936 0.085 18710 3138 1 11 . 1 1 28 28 LEU C C 28 178.369 178.369 177.640 0.729 18710 3139 1 11 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.922 0.579 18710 3140 1 11 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.964 0.307 18710 3141 1 11 . 1 1 28 28 LEU H H 28 8.129 8.129 8.272 -0.143 18710 3142 1 11 . 1 1 29 29 ASP N N 29 117.215 117.215 117.567 -0.352 18710 3143 1 11 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.486 -0.103 18710 3144 1 11 . 1 1 29 29 ASP C C 29 178.274 178.274 176.951 1.323 18710 3145 1 11 . 1 1 29 29 ASP CA C 29 56.076 56.076 55.994 0.082 18710 3146 1 11 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.302 -0.942 18710 3147 1 11 . 1 1 29 29 ASP H H 29 9.053 9.053 8.385 0.668 18710 3148 1 11 . 1 1 30 30 LYS N N 30 111.912 111.912 115.369 -3.457 18710 3149 1 11 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.412 0.033 18710 3150 1 11 . 1 1 30 30 LYS C C 30 176.629 176.629 176.327 0.302 18710 3151 1 11 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.875 -1.896 18710 3152 1 11 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.434 -1.756 18710 3153 1 11 . 1 1 30 30 LYS H H 30 6.601 6.601 7.605 -1.004 18710 3154 1 11 . 1 1 31 31 HIS N N 31 112.584 112.584 115.109 -2.525 18710 3155 1 11 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.370 0.190 18710 3156 1 11 . 1 1 31 31 HIS C C 31 174.202 174.202 173.912 0.290 18710 3157 1 11 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.785 -0.652 18710 3158 1 11 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.169 -0.559 18710 3159 1 11 . 1 1 31 31 HIS H H 31 6.937 6.937 7.698 -0.761 18710 3160 1 11 . 1 1 32 32 ALA N N 32 120.390 120.390 121.828 -1.438 18710 3161 1 11 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.275 -0.222 18710 3162 1 11 . 1 1 32 32 ALA C C 32 175.340 175.340 176.971 -1.631 18710 3163 1 11 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.888 -1.280 18710 3164 1 11 . 1 1 32 32 ALA CB C 32 18.912 18.912 20.937 -2.025 18710 3165 1 11 . 1 1 32 32 ALA H H 32 7.639 7.639 8.024 -0.385 18710 3166 1 11 . 1 1 33 33 ARG N N 33 116.855 116.855 117.571 -0.716 18710 3167 1 11 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.514 -0.423 18710 3168 1 11 . 1 1 33 33 ARG C C 33 176.630 176.630 177.413 -0.783 18710 3169 1 11 . 1 1 33 33 ARG CA C 33 57.938 57.938 57.980 -0.042 18710 3170 1 11 . 1 1 33 33 ARG CB C 33 30.555 30.555 31.480 -0.925 18710 3171 1 11 . 1 1 33 33 ARG H H 33 8.270 8.270 8.257 0.013 18710 3172 1 11 . 1 1 34 34 SER N N 34 109.872 109.872 113.207 -3.335 18710 3173 1 11 . 1 1 34 34 SER HA H 34 4.563 4.563 4.546 0.017 18710 3174 1 11 . 1 1 34 34 SER C C 34 173.047 173.047 174.047 -1.000 18710 3175 1 11 . 1 1 34 34 SER CA C 34 57.747 57.747 57.212 0.535 18710 3176 1 11 . 1 1 34 34 SER CB C 34 65.477 65.477 64.428 1.049 18710 3177 1 11 . 1 1 34 34 SER H H 34 8.073 8.073 7.919 0.154 18710 3178 1 11 . 1 1 35 35 GLY N N 35 107.697 107.697 111.744 -4.047 18710 3179 1 11 . 1 1 35 35 GLY C C 35 170.741 170.741 174.559 -3.818 18710 3180 1 11 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.419 0.499 18710 3181 1 11 . 1 1 35 35 GLY H H 35 8.869 8.869 8.279 0.590 18710 3182 1 11 . 1 1 36 36 GLU N N 36 118.971 118.971 119.435 -0.464 18710 3183 1 11 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.443 -0.291 18710 3184 1 11 . 1 1 36 36 GLU C C 36 173.995 173.995 176.229 -2.234 18710 3185 1 11 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.716 -0.225 18710 3186 1 11 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.075 0.198 18710 3187 1 11 . 1 1 36 36 GLU H H 36 8.226 8.226 7.852 0.374 18710 3188 1 11 . 1 1 37 37 CYS N N 37 120.679 120.679 120.632 0.047 18710 3189 1 11 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.149 0.965 18710 3190 1 11 . 1 1 37 37 CYS C C 37 173.692 173.692 174.560 -0.868 18710 3191 1 11 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.708 -2.392 18710 3192 1 11 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.523 17.415 18710 3193 1 11 . 1 1 37 37 CYS H H 37 8.851 8.851 8.589 0.262 18710 3194 1 11 . 1 1 38 38 PHE N N 38 120.484 120.484 119.462 1.022 18710 3195 1 11 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.753 -0.078 18710 3196 1 11 . 1 1 38 38 PHE C C 38 175.480 175.480 173.930 1.550 18710 3197 1 11 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.554 0.184 18710 3198 1 11 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.888 0.892 18710 3199 1 11 . 1 1 38 38 PHE H H 38 9.072 9.072 8.363 0.709 18710 3200 1 11 . 1 1 39 39 TYR N N 39 122.666 122.666 119.858 2.808 18710 3201 1 11 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.022 -0.234 18710 3202 1 11 . 1 1 39 39 TYR C C 39 176.738 176.738 175.730 1.008 18710 3203 1 11 . 1 1 39 39 TYR CA C 39 58.938 58.938 57.995 0.943 18710 3204 1 11 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.440 0.820 18710 3205 1 11 . 1 1 39 39 TYR H H 39 9.002 9.002 8.782 0.220 18710 3206 1 11 . 1 1 40 40 ASP N N 40 123.525 123.525 124.726 -1.201 18710 3207 1 11 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.912 -0.224 18710 3208 1 11 . 1 1 40 40 ASP C C 40 178.719 178.719 177.545 1.174 18710 3209 1 11 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.673 -0.444 18710 3210 1 11 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.659 -0.695 18710 3211 1 11 . 1 1 40 40 ASP H H 40 8.707 8.707 8.369 0.338 18710 3212 1 11 . 1 1 41 41 GLU N N 41 118.054 118.054 119.457 -1.403 18710 3213 1 11 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.183 -0.034 18710 3214 1 11 . 1 1 41 41 GLU C C 41 177.487 177.487 176.760 0.727 18710 3215 1 11 . 1 1 41 41 GLU CA C 41 58.920 58.920 58.585 0.335 18710 3216 1 11 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.448 -0.795 18710 3217 1 11 . 1 1 41 41 GLU H H 41 9.098 9.098 8.872 0.226 18710 3218 1 11 . 1 1 42 42 LYS N N 42 120.287 120.287 117.236 3.051 18710 3219 1 11 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.449 -0.078 18710 3220 1 11 . 1 1 42 42 LYS C C 42 175.319 175.319 176.109 -0.790 18710 3221 1 11 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.564 -0.177 18710 3222 1 11 . 1 1 42 42 LYS CB C 42 31.935 31.935 32.135 -0.199 18710 3223 1 11 . 1 1 42 42 LYS H H 42 8.104 8.104 8.077 0.027 18710 3224 1 11 . 1 1 43 43 ARG N N 43 113.150 113.150 116.051 -2.901 18710 3225 1 11 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.255 -0.681 18710 3226 1 11 . 1 1 43 43 ARG C C 43 174.823 174.823 174.697 0.126 18710 3227 1 11 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.135 -0.016 18710 3228 1 11 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.047 -2.463 18710 3229 1 11 . 1 1 43 43 ARG H H 43 8.305 8.305 7.836 0.469 18710 3230 1 11 . 1 1 44 44 ASN N N 44 118.284 118.284 116.081 2.203 18710 3231 1 11 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.743 0.211 18710 3232 1 11 . 1 1 44 44 ASN C C 44 174.806 174.806 174.843 -0.037 18710 3233 1 11 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.262 0.391 18710 3234 1 11 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.355 -0.274 18710 3235 1 11 . 1 1 44 44 ASN H H 44 8.771 8.771 7.883 0.888 18710 3236 1 11 . 1 1 45 45 LEU N N 45 126.852 126.852 123.645 3.207 18710 3237 1 11 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.402 -0.362 18710 3238 1 11 . 1 1 45 45 LEU C C 45 175.554 175.554 176.318 -0.764 18710 3239 1 11 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.493 0.537 18710 3240 1 11 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.967 1.888 18710 3241 1 11 . 1 1 45 45 LEU H H 45 8.740 8.740 8.491 0.249 18710 3242 1 11 . 1 1 46 46 GLN N N 46 120.892 120.892 121.408 -0.516 18710 3243 1 11 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.537 0.103 18710 3244 1 11 . 1 1 46 46 GLN C C 46 174.603 174.603 175.082 -0.479 18710 3245 1 11 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.460 0.337 18710 3246 1 11 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.576 1.824 18710 3247 1 11 . 1 1 46 46 GLN H H 46 8.462 8.462 8.258 0.204 18710 3248 1 11 . 1 1 47 47 CYS N N 47 122.189 122.189 124.665 -2.476 18710 3249 1 11 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.286 0.468 18710 3250 1 11 . 1 1 47 47 CYS C C 47 171.892 171.892 174.662 -2.770 18710 3251 1 11 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.870 -4.859 18710 3252 1 11 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.508 12.555 18710 3253 1 11 . 1 1 47 47 CYS H H 47 9.292 9.292 8.949 0.343 18710 3254 1 11 . 1 1 48 48 ILE N N 48 129.091 129.091 126.443 2.648 18710 3255 1 11 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.619 -0.349 18710 3256 1 11 . 1 1 48 48 ILE C C 48 175.922 175.922 175.379 0.543 18710 3257 1 11 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.356 -0.025 18710 3258 1 11 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.491 -1.528 18710 3259 1 11 . 1 1 48 48 ILE H H 48 8.724 8.724 9.062 -0.338 18710 3260 1 11 . 1 1 49 49 CYS N N 49 126.727 126.727 128.312 -1.585 18710 3261 1 11 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.279 0.949 18710 3262 1 11 . 1 1 49 49 CYS C C 49 172.511 172.511 173.461 -0.950 18710 3263 1 11 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.577 -7.987 18710 3264 1 11 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.527 9.007 18710 3265 1 11 . 1 1 49 49 CYS H H 49 8.457 8.457 8.741 -0.284 18710 3266 1 11 . 1 1 50 50 ASP N N 50 122.574 122.574 125.349 -2.775 18710 3267 1 11 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.752 0.758 18710 3268 1 11 . 1 1 50 50 ASP C C 50 176.217 176.217 174.715 1.502 18710 3269 1 11 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.173 -0.090 18710 3270 1 11 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.694 1.176 18710 3271 1 11 . 1 1 50 50 ASP H H 50 8.896 8.896 8.501 0.395 18710 3272 1 11 . 1 1 51 51 TYR N N 51 125.641 125.641 122.493 3.148 18710 3273 1 11 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.641 -0.524 18710 3274 1 11 . 1 1 51 51 TYR C C 51 175.491 175.491 174.611 0.880 18710 3275 1 11 . 1 1 51 51 TYR CA C 51 59.295 59.295 57.692 1.603 18710 3276 1 11 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.710 1.830 18710 3277 1 11 . 1 1 51 51 TYR H H 51 9.819 9.819 7.541 2.278 18710 3278 1 11 . 1 1 52 52 CYS N N 52 121.040 121.040 117.800 3.240 18710 3279 1 11 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.535 -0.163 18710 3280 1 11 . 1 1 52 52 CYS C C 52 173.129 173.129 173.805 -0.676 18710 3281 1 11 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.368 -3.343 18710 3282 1 11 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.381 13.860 18710 3283 1 11 . 1 1 52 52 CYS H H 52 9.700 9.700 7.566 2.134 18710 3284 1 11 . 1 1 53 53 GLU N N 53 121.628 121.628 122.628 -1.000 18710 3285 1 11 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.583 -0.318 18710 3286 1 11 . 1 1 53 53 GLU C C 53 174.253 174.253 175.965 -1.712 18710 3287 1 11 . 1 1 53 53 GLU CA C 53 55.200 55.200 56.216 -1.016 18710 3288 1 11 . 1 1 53 53 GLU CB C 53 31.198 31.198 28.225 2.973 18710 3289 1 11 . 1 1 53 53 GLU H H 53 8.466 8.466 8.682 -0.216 18710 3290 1 12 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.085 0.161 18710 3291 1 12 . 1 1 3 3 LYS C C 3 176.970 176.970 176.766 0.204 18710 3292 1 12 . 1 1 3 3 LYS CA C 3 57.314 57.314 58.894 -1.580 18710 3293 1 12 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.314 0.197 18710 3294 1 12 . 1 1 4 4 CYS N N 4 117.663 117.663 114.824 2.839 18710 3295 1 12 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.457 0.157 18710 3296 1 12 . 1 1 4 4 CYS C C 4 174.336 174.336 174.887 -0.551 18710 3297 1 12 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.135 -1.854 18710 3298 1 12 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.452 14.877 18710 3299 1 12 . 1 1 4 4 CYS H H 4 8.552 8.552 8.203 0.349 18710 3300 1 12 . 1 1 5 5 LYS N N 5 118.468 118.468 120.999 -2.531 18710 3301 1 12 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.637 0.882 18710 3302 1 12 . 1 1 5 5 LYS C C 5 176.806 176.806 175.800 1.006 18710 3303 1 12 . 1 1 5 5 LYS CA C 5 54.755 54.755 54.928 -0.173 18710 3304 1 12 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.242 3.306 18710 3305 1 12 . 1 1 5 5 LYS H H 5 8.067 8.067 7.632 0.435 18710 3306 1 12 . 1 1 6 6 LYS N N 6 121.028 121.028 125.337 -4.309 18710 3307 1 12 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.624 0.092 18710 3308 1 12 . 1 1 6 6 LYS C C 6 176.149 176.149 174.309 1.840 18710 3309 1 12 . 1 1 6 6 LYS CA C 6 55.267 55.267 54.937 0.330 18710 3310 1 12 . 1 1 6 6 LYS CB C 6 36.779 36.779 35.861 0.918 18710 3311 1 12 . 1 1 6 6 LYS H H 6 9.043 9.043 8.791 0.252 18710 3312 1 12 . 1 1 7 7 VAL N N 7 128.686 128.686 123.082 5.604 18710 3313 1 12 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.367 -0.470 18710 3314 1 12 . 1 1 7 7 VAL C C 7 175.013 175.013 175.091 -0.078 18710 3315 1 12 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.077 3.739 18710 3316 1 12 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.491 -0.349 18710 3317 1 12 . 1 1 7 7 VAL H H 7 8.991 8.991 8.480 0.511 18710 3318 1 12 . 1 1 8 8 TYR N N 8 129.909 129.909 126.241 3.668 18710 3319 1 12 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.892 -0.521 18710 3320 1 12 . 1 1 8 8 TYR C C 8 175.018 175.018 174.440 0.578 18710 3321 1 12 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.750 -1.363 18710 3322 1 12 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.557 -3.737 18710 3323 1 12 . 1 1 8 8 TYR H H 8 9.265 9.265 7.886 1.379 18710 3324 1 12 . 1 1 9 9 GLU N N 9 131.262 131.262 125.037 6.225 18710 3325 1 12 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.838 0.273 18710 3326 1 12 . 1 1 9 9 GLU C C 9 177.071 177.071 177.227 -0.156 18710 3327 1 12 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.422 0.737 18710 3328 1 12 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.887 -0.798 18710 3329 1 12 . 1 1 9 9 GLU H H 9 9.217 9.217 8.679 0.538 18710 3330 1 12 . 1 1 10 10 ASN N N 10 115.995 115.995 114.153 1.842 18710 3331 1 12 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.403 -0.049 18710 3332 1 12 . 1 1 10 10 ASN C C 10 174.465 174.465 174.631 -0.166 18710 3333 1 12 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.195 -0.694 18710 3334 1 12 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.942 -0.870 18710 3335 1 12 . 1 1 10 10 ASN H H 10 9.445 9.445 8.674 0.771 18710 3336 1 12 . 1 1 11 11 TYR N N 11 122.981 122.981 118.452 4.529 18710 3337 1 12 . 1 1 11 11 TYR HA H 11 4.108 4.108 4.940 -0.832 18710 3338 1 12 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.593 2.802 18710 3339 1 12 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.056 1.244 18710 3340 1 12 . 1 1 11 11 TYR H H 11 7.533 7.533 8.106 -0.573 18710 3341 1 12 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.128 0.280 18710 3342 1 12 . 1 1 12 12 PRO C C 12 176.771 176.771 178.113 -1.342 18710 3343 1 12 . 1 1 12 12 PRO CA C 12 62.008 62.008 61.905 0.103 18710 3344 1 12 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.565 -2.247 18710 3345 1 12 . 1 1 13 13 VAL N N 13 124.171 124.171 119.993 4.178 18710 3346 1 12 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.757 0.027 18710 3347 1 12 . 1 1 13 13 VAL C C 13 178.748 178.748 177.037 1.711 18710 3348 1 12 . 1 1 13 13 VAL CA C 13 65.650 65.650 64.924 0.726 18710 3349 1 12 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.543 -0.078 18710 3350 1 12 . 1 1 13 13 VAL H H 13 8.195 8.195 8.400 -0.205 18710 3351 1 12 . 1 1 14 14 SER N N 14 118.320 118.320 115.477 2.843 18710 3352 1 12 . 1 1 14 14 SER HA H 14 4.092 4.092 4.173 -0.081 18710 3353 1 12 . 1 1 14 14 SER C C 14 177.862 177.862 176.768 1.094 18710 3354 1 12 . 1 1 14 14 SER CA C 14 61.300 61.300 61.372 -0.072 18710 3355 1 12 . 1 1 14 14 SER CB C 14 61.302 61.302 62.195 -0.893 18710 3356 1 12 . 1 1 14 14 SER H H 14 8.577 8.577 8.214 0.363 18710 3357 1 12 . 1 1 15 15 LYS N N 15 121.997 121.997 120.696 1.301 18710 3358 1 12 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.379 -0.376 18710 3359 1 12 . 1 1 15 15 LYS C C 15 178.744 178.744 178.173 0.571 18710 3360 1 12 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.437 1.273 18710 3361 1 12 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.654 -1.266 18710 3362 1 12 . 1 1 15 15 LYS H H 15 7.886 7.886 7.694 0.192 18710 3363 1 12 . 1 1 16 16 CYS N N 16 115.824 115.824 119.889 -4.065 18710 3364 1 12 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.419 0.281 18710 3365 1 12 . 1 1 16 16 CYS C C 16 175.843 175.843 176.315 -0.472 18710 3366 1 12 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.464 -2.412 18710 3367 1 12 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.433 14.980 18710 3368 1 12 . 1 1 16 16 CYS H H 16 7.848 7.848 8.235 -0.387 18710 3369 1 12 . 1 1 17 17 GLN N N 17 115.165 115.165 117.597 -2.432 18710 3370 1 12 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.069 0.083 18710 3371 1 12 . 1 1 17 17 GLN C C 17 175.310 175.310 176.488 -1.178 18710 3372 1 12 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.666 -1.417 18710 3373 1 12 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.793 -0.137 18710 3374 1 12 . 1 1 17 17 GLN H H 17 7.398 7.398 7.917 -0.519 18710 3375 1 12 . 1 1 18 18 LEU N N 18 121.702 121.702 119.555 2.147 18710 3376 1 12 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.586 -0.103 18710 3377 1 12 . 1 1 18 18 LEU C C 18 176.211 176.211 176.431 -0.220 18710 3378 1 12 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.346 0.023 18710 3379 1 12 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.917 -0.739 18710 3380 1 12 . 1 1 18 18 LEU H H 18 7.354 7.354 8.063 -0.709 18710 3381 1 12 . 1 1 19 19 ALA N N 19 128.501 128.501 128.172 0.329 18710 3382 1 12 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.914 0.161 18710 3383 1 12 . 1 1 19 19 ALA C C 19 179.107 179.107 177.841 1.266 18710 3384 1 12 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.746 -0.848 18710 3385 1 12 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.752 -0.753 18710 3386 1 12 . 1 1 19 19 ALA H H 19 8.735 8.735 8.902 -0.167 18710 3387 1 12 . 1 1 20 20 ASN N N 20 116.786 116.786 114.383 2.403 18710 3388 1 12 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.631 -0.053 18710 3389 1 12 . 1 1 20 20 ASN C C 20 174.900 174.900 177.262 -2.362 18710 3390 1 12 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.912 0.226 18710 3391 1 12 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.988 1.335 18710 3392 1 12 . 1 1 20 20 ASN H H 20 9.284 9.284 7.894 1.390 18710 3393 1 12 . 1 1 21 21 GLN N N 21 123.178 123.178 121.427 1.751 18710 3394 1 12 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.099 -0.322 18710 3395 1 12 . 1 1 21 21 GLN C C 21 176.327 176.327 177.411 -1.084 18710 3396 1 12 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.697 0.772 18710 3397 1 12 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.753 0.684 18710 3398 1 12 . 1 1 21 21 GLN H H 21 7.696 7.696 8.590 -0.894 18710 3399 1 12 . 1 1 22 22 CYS N N 22 119.327 119.327 118.656 0.671 18710 3400 1 12 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.287 -0.033 18710 3401 1 12 . 1 1 22 22 CYS C C 22 175.955 175.955 177.286 -1.331 18710 3402 1 12 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.188 -4.796 18710 3403 1 12 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.108 12.466 18710 3404 1 12 . 1 1 22 22 CYS H H 22 8.495 8.495 7.870 0.625 18710 3405 1 12 . 1 1 23 23 ASN N N 23 119.489 119.489 117.622 1.867 18710 3406 1 12 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.430 -0.665 18710 3407 1 12 . 1 1 23 23 ASN C C 23 175.773 175.773 177.820 -2.047 18710 3408 1 12 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.254 1.611 18710 3409 1 12 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.369 1.892 18710 3410 1 12 . 1 1 23 23 ASN H H 23 8.224 8.224 8.301 -0.077 18710 3411 1 12 . 1 1 24 24 TYR N N 24 118.459 118.459 120.912 -2.453 18710 3412 1 12 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.126 -0.300 18710 3413 1 12 . 1 1 24 24 TYR C C 24 178.310 178.310 178.226 0.084 18710 3414 1 12 . 1 1 24 24 TYR CA C 24 61.740 61.740 61.994 -0.254 18710 3415 1 12 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.055 0.515 18710 3416 1 12 . 1 1 24 24 TYR H H 24 8.296 8.296 7.774 0.522 18710 3417 1 12 . 1 1 25 25 ASP N N 25 119.944 119.944 119.745 0.199 18710 3418 1 12 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.437 0.167 18710 3419 1 12 . 1 1 25 25 ASP C C 25 179.719 179.719 179.122 0.597 18710 3420 1 12 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.317 0.287 18710 3421 1 12 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.232 0.152 18710 3422 1 12 . 1 1 25 25 ASP H H 25 9.105 9.105 8.548 0.557 18710 3423 1 12 . 1 1 26 26 CYS N N 26 120.503 120.503 119.367 1.136 18710 3424 1 12 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.517 -0.440 18710 3425 1 12 . 1 1 26 26 CYS C C 26 177.789 177.789 177.857 -0.068 18710 3426 1 12 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.439 -1.911 18710 3427 1 12 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.551 10.089 18710 3428 1 12 . 1 1 26 26 CYS H H 26 9.403 9.403 9.199 0.204 18710 3429 1 12 . 1 1 27 27 LYS N N 27 119.866 119.866 120.234 -0.368 18710 3430 1 12 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.160 -0.157 18710 3431 1 12 . 1 1 27 27 LYS C C 27 177.792 177.792 178.999 -1.207 18710 3432 1 12 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.311 0.399 18710 3433 1 12 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.567 -0.365 18710 3434 1 12 . 1 1 27 27 LYS H H 27 7.652 7.652 8.367 -0.715 18710 3435 1 12 . 1 1 28 28 LEU N N 28 119.921 119.921 119.609 0.312 18710 3436 1 12 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.925 0.096 18710 3437 1 12 . 1 1 28 28 LEU C C 28 178.369 178.369 177.681 0.688 18710 3438 1 12 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.929 0.572 18710 3439 1 12 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.969 0.302 18710 3440 1 12 . 1 1 28 28 LEU H H 28 8.129 8.129 8.256 -0.127 18710 3441 1 12 . 1 1 29 29 ASP N N 29 117.215 117.215 117.521 -0.306 18710 3442 1 12 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.460 -0.077 18710 3443 1 12 . 1 1 29 29 ASP C C 29 178.274 178.274 177.007 1.267 18710 3444 1 12 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.116 -0.040 18710 3445 1 12 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.173 -0.813 18710 3446 1 12 . 1 1 29 29 ASP H H 29 9.053 9.053 8.396 0.657 18710 3447 1 12 . 1 1 30 30 LYS N N 30 111.912 111.912 115.196 -3.284 18710 3448 1 12 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.431 0.014 18710 3449 1 12 . 1 1 30 30 LYS C C 30 176.629 176.629 176.209 0.420 18710 3450 1 12 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.869 -1.890 18710 3451 1 12 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.641 -1.963 18710 3452 1 12 . 1 1 30 30 LYS H H 30 6.601 6.601 7.604 -1.003 18710 3453 1 12 . 1 1 31 31 HIS N N 31 112.584 112.584 115.522 -2.938 18710 3454 1 12 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.360 0.200 18710 3455 1 12 . 1 1 31 31 HIS C C 31 174.202 174.202 173.854 0.348 18710 3456 1 12 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.795 -0.661 18710 3457 1 12 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.197 -0.587 18710 3458 1 12 . 1 1 31 31 HIS H H 31 6.937 6.937 7.692 -0.755 18710 3459 1 12 . 1 1 32 32 ALA N N 32 120.390 120.390 122.390 -2.000 18710 3460 1 12 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.346 -0.293 18710 3461 1 12 . 1 1 32 32 ALA C C 32 175.340 175.340 177.176 -1.836 18710 3462 1 12 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.705 -1.097 18710 3463 1 12 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.230 -2.318 18710 3464 1 12 . 1 1 32 32 ALA H H 32 7.639 7.639 8.070 -0.431 18710 3465 1 12 . 1 1 33 33 ARG N N 33 116.855 116.855 117.125 -0.270 18710 3466 1 12 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.517 -0.426 18710 3467 1 12 . 1 1 33 33 ARG C C 33 176.630 176.630 177.517 -0.887 18710 3468 1 12 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.489 -0.551 18710 3469 1 12 . 1 1 33 33 ARG CB C 33 30.555 30.555 31.739 -1.184 18710 3470 1 12 . 1 1 33 33 ARG H H 33 8.270 8.270 8.184 0.086 18710 3471 1 12 . 1 1 34 34 SER N N 34 109.872 109.872 112.236 -2.364 18710 3472 1 12 . 1 1 34 34 SER HA H 34 4.563 4.563 4.505 0.058 18710 3473 1 12 . 1 1 34 34 SER C C 34 173.047 173.047 173.948 -0.901 18710 3474 1 12 . 1 1 34 34 SER CA C 34 57.747 57.747 57.571 0.176 18710 3475 1 12 . 1 1 34 34 SER CB C 34 65.477 65.477 64.197 1.280 18710 3476 1 12 . 1 1 34 34 SER H H 34 8.073 8.073 7.893 0.180 18710 3477 1 12 . 1 1 35 35 GLY N N 35 107.697 107.697 111.791 -4.094 18710 3478 1 12 . 1 1 35 35 GLY C C 35 170.741 170.741 174.512 -3.771 18710 3479 1 12 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.372 0.546 18710 3480 1 12 . 1 1 35 35 GLY H H 35 8.869 8.869 8.315 0.554 18710 3481 1 12 . 1 1 36 36 GLU N N 36 118.971 118.971 119.385 -0.414 18710 3482 1 12 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.414 -0.262 18710 3483 1 12 . 1 1 36 36 GLU C C 36 173.995 173.995 176.041 -2.046 18710 3484 1 12 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.742 -0.251 18710 3485 1 12 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.123 0.151 18710 3486 1 12 . 1 1 36 36 GLU H H 36 8.226 8.226 7.852 0.374 18710 3487 1 12 . 1 1 37 37 CYS N N 37 120.679 120.679 120.578 0.101 18710 3488 1 12 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.152 0.962 18710 3489 1 12 . 1 1 37 37 CYS C C 37 173.692 173.692 174.362 -0.670 18710 3490 1 12 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.288 -1.972 18710 3491 1 12 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.697 17.241 18710 3492 1 12 . 1 1 37 37 CYS H H 37 8.851 8.851 8.504 0.347 18710 3493 1 12 . 1 1 38 38 PHE N N 38 120.484 120.484 120.123 0.361 18710 3494 1 12 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.729 -0.054 18710 3495 1 12 . 1 1 38 38 PHE C C 38 175.480 175.480 174.451 1.029 18710 3496 1 12 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.773 -0.035 18710 3497 1 12 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.811 0.969 18710 3498 1 12 . 1 1 38 38 PHE H H 38 9.072 9.072 8.434 0.638 18710 3499 1 12 . 1 1 39 39 TYR N N 39 122.666 122.666 121.777 0.889 18710 3500 1 12 . 1 1 39 39 TYR HA H 39 4.788 4.788 4.685 0.103 18710 3501 1 12 . 1 1 39 39 TYR C C 39 176.738 176.738 176.172 0.566 18710 3502 1 12 . 1 1 39 39 TYR CA C 39 58.938 58.938 59.278 -0.340 18710 3503 1 12 . 1 1 39 39 TYR CB C 39 40.260 40.260 38.717 1.543 18710 3504 1 12 . 1 1 39 39 TYR H H 39 9.002 9.002 8.755 0.247 18710 3505 1 12 . 1 1 40 40 ASP N N 40 123.525 123.525 124.755 -1.230 18710 3506 1 12 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.880 -0.192 18710 3507 1 12 . 1 1 40 40 ASP C C 40 178.719 178.719 177.189 1.530 18710 3508 1 12 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.543 -0.313 18710 3509 1 12 . 1 1 40 40 ASP CB C 40 40.964 40.964 42.282 -1.318 18710 3510 1 12 . 1 1 40 40 ASP H H 40 8.707 8.707 8.055 0.652 18710 3511 1 12 . 1 1 41 41 GLU N N 41 118.054 118.054 120.583 -2.529 18710 3512 1 12 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.097 0.052 18710 3513 1 12 . 1 1 41 41 GLU C C 41 177.487 177.487 176.900 0.587 18710 3514 1 12 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.164 -0.244 18710 3515 1 12 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.547 -0.894 18710 3516 1 12 . 1 1 41 41 GLU H H 41 9.098 9.098 8.922 0.176 18710 3517 1 12 . 1 1 42 42 LYS N N 42 120.287 120.287 117.257 3.030 18710 3518 1 12 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.395 -0.024 18710 3519 1 12 . 1 1 42 42 LYS C C 42 175.319 175.319 175.874 -0.555 18710 3520 1 12 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.788 -0.400 18710 3521 1 12 . 1 1 42 42 LYS CB C 42 31.935 31.935 31.924 0.011 18710 3522 1 12 . 1 1 42 42 LYS H H 42 8.104 8.104 8.011 0.093 18710 3523 1 12 . 1 1 43 43 ARG N N 43 113.150 113.150 116.046 -2.896 18710 3524 1 12 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.205 -0.631 18710 3525 1 12 . 1 1 43 43 ARG C C 43 174.823 174.823 174.712 0.111 18710 3526 1 12 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.244 -0.125 18710 3527 1 12 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.286 -2.702 18710 3528 1 12 . 1 1 43 43 ARG H H 43 8.305 8.305 7.733 0.572 18710 3529 1 12 . 1 1 44 44 ASN N N 44 118.284 118.284 115.986 2.298 18710 3530 1 12 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.765 0.189 18710 3531 1 12 . 1 1 44 44 ASN C C 44 174.806 174.806 174.500 0.306 18710 3532 1 12 . 1 1 44 44 ASN CA C 44 52.653 52.653 51.861 0.792 18710 3533 1 12 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.625 -0.544 18710 3534 1 12 . 1 1 44 44 ASN H H 44 8.771 8.771 7.877 0.894 18710 3535 1 12 . 1 1 45 45 LEU N N 45 126.852 126.852 122.857 3.995 18710 3536 1 12 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.097 -0.057 18710 3537 1 12 . 1 1 45 45 LEU C C 45 175.554 175.554 176.121 -0.567 18710 3538 1 12 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.857 0.173 18710 3539 1 12 . 1 1 45 45 LEU CB C 45 42.855 42.855 41.373 1.482 18710 3540 1 12 . 1 1 45 45 LEU H H 45 8.740 8.740 8.427 0.313 18710 3541 1 12 . 1 1 46 46 GLN N N 46 120.892 120.892 121.034 -0.142 18710 3542 1 12 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.480 0.160 18710 3543 1 12 . 1 1 46 46 GLN C C 46 174.603 174.603 175.003 -0.400 18710 3544 1 12 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.495 0.302 18710 3545 1 12 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.653 1.747 18710 3546 1 12 . 1 1 46 46 GLN H H 46 8.462 8.462 8.043 0.419 18710 3547 1 12 . 1 1 47 47 CYS N N 47 122.189 122.189 124.710 -2.521 18710 3548 1 12 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.258 0.496 18710 3549 1 12 . 1 1 47 47 CYS C C 47 171.892 171.892 174.622 -2.730 18710 3550 1 12 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.910 -4.899 18710 3551 1 12 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.486 12.577 18710 3552 1 12 . 1 1 47 47 CYS H H 47 9.292 9.292 8.903 0.389 18710 3553 1 12 . 1 1 48 48 ILE N N 48 129.091 129.091 126.356 2.735 18710 3554 1 12 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.710 -0.440 18710 3555 1 12 . 1 1 48 48 ILE C C 48 175.922 175.922 175.412 0.510 18710 3556 1 12 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.255 0.076 18710 3557 1 12 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.605 -1.642 18710 3558 1 12 . 1 1 48 48 ILE H H 48 8.724 8.724 9.076 -0.352 18710 3559 1 12 . 1 1 49 49 CYS N N 49 126.727 126.727 128.534 -1.807 18710 3560 1 12 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.299 0.929 18710 3561 1 12 . 1 1 49 49 CYS C C 49 172.511 172.511 173.484 -0.973 18710 3562 1 12 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.372 -7.782 18710 3563 1 12 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.712 8.822 18710 3564 1 12 . 1 1 49 49 CYS H H 49 8.457 8.457 8.901 -0.444 18710 3565 1 12 . 1 1 50 50 ASP N N 50 122.574 122.574 125.588 -3.014 18710 3566 1 12 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.832 0.678 18710 3567 1 12 . 1 1 50 50 ASP C C 50 176.217 176.217 175.583 0.634 18710 3568 1 12 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.117 -0.034 18710 3569 1 12 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.496 1.374 18710 3570 1 12 . 1 1 50 50 ASP H H 50 8.896 8.896 8.593 0.303 18710 3571 1 12 . 1 1 51 51 TYR N N 51 125.641 125.641 123.921 1.720 18710 3572 1 12 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.620 -0.504 18710 3573 1 12 . 1 1 51 51 TYR C C 51 175.491 175.491 174.535 0.956 18710 3574 1 12 . 1 1 51 51 TYR CA C 51 59.295 59.295 58.017 1.278 18710 3575 1 12 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.625 1.915 18710 3576 1 12 . 1 1 51 51 TYR H H 51 9.819 9.819 7.655 2.164 18710 3577 1 12 . 1 1 52 52 CYS N N 52 121.040 121.040 117.332 3.708 18710 3578 1 12 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.534 -0.162 18710 3579 1 12 . 1 1 52 52 CYS C C 52 173.129 173.129 173.711 -0.582 18710 3580 1 12 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.279 -3.254 18710 3581 1 12 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.677 13.564 18710 3582 1 12 . 1 1 52 52 CYS H H 52 9.700 9.700 7.474 2.226 18710 3583 1 12 . 1 1 53 53 GLU N N 53 121.628 121.628 122.263 -0.635 18710 3584 1 12 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.627 -0.362 18710 3585 1 12 . 1 1 53 53 GLU C C 53 174.253 174.253 175.632 -1.379 18710 3586 1 12 . 1 1 53 53 GLU CA C 53 55.200 55.200 55.995 -0.795 18710 3587 1 12 . 1 1 53 53 GLU CB C 53 31.198 31.198 28.234 2.964 18710 3588 1 12 . 1 1 53 53 GLU H H 53 8.466 8.466 8.679 -0.213 18710 3589 1 13 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.180 0.066 18710 3590 1 13 . 1 1 3 3 LYS C C 3 176.970 176.970 178.243 -1.273 18710 3591 1 13 . 1 1 3 3 LYS CA C 3 57.314 57.314 57.148 0.166 18710 3592 1 13 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.754 -0.243 18710 3593 1 13 . 1 1 4 4 CYS N N 4 117.663 117.663 116.964 0.699 18710 3594 1 13 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.485 0.129 18710 3595 1 13 . 1 1 4 4 CYS C C 4 174.336 174.336 175.349 -1.013 18710 3596 1 13 . 1 1 4 4 CYS CA C 4 57.281 57.281 60.067 -2.786 18710 3597 1 13 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.839 14.490 18710 3598 1 13 . 1 1 4 4 CYS H H 4 8.552 8.552 8.458 0.094 18710 3599 1 13 . 1 1 5 5 LYS N N 5 118.468 118.468 121.245 -2.777 18710 3600 1 13 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.582 0.937 18710 3601 1 13 . 1 1 5 5 LYS C C 5 176.806 176.806 175.818 0.988 18710 3602 1 13 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.760 -1.005 18710 3603 1 13 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.061 3.486 18710 3604 1 13 . 1 1 5 5 LYS H H 5 8.067 8.067 7.966 0.101 18710 3605 1 13 . 1 1 6 6 LYS N N 6 121.028 121.028 124.920 -3.892 18710 3606 1 13 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.663 0.053 18710 3607 1 13 . 1 1 6 6 LYS C C 6 176.149 176.149 174.511 1.638 18710 3608 1 13 . 1 1 6 6 LYS CA C 6 55.267 55.267 54.979 0.288 18710 3609 1 13 . 1 1 6 6 LYS CB C 6 36.779 36.779 36.175 0.604 18710 3610 1 13 . 1 1 6 6 LYS H H 6 9.043 9.043 8.821 0.222 18710 3611 1 13 . 1 1 7 7 VAL N N 7 128.686 128.686 122.995 5.691 18710 3612 1 13 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.333 -0.436 18710 3613 1 13 . 1 1 7 7 VAL C C 7 175.013 175.013 174.844 0.169 18710 3614 1 13 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.373 3.443 18710 3615 1 13 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.457 -0.315 18710 3616 1 13 . 1 1 7 7 VAL H H 7 8.991 8.991 8.541 0.450 18710 3617 1 13 . 1 1 8 8 TYR N N 8 129.909 129.909 125.574 4.335 18710 3618 1 13 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.900 -0.529 18710 3619 1 13 . 1 1 8 8 TYR C C 8 175.018 175.018 174.468 0.550 18710 3620 1 13 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.767 -1.380 18710 3621 1 13 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.523 -3.703 18710 3622 1 13 . 1 1 8 8 TYR H H 8 9.265 9.265 7.930 1.335 18710 3623 1 13 . 1 1 9 9 GLU N N 9 131.262 131.262 125.056 6.206 18710 3624 1 13 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.808 0.303 18710 3625 1 13 . 1 1 9 9 GLU C C 9 177.071 177.071 177.190 -0.119 18710 3626 1 13 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.443 0.716 18710 3627 1 13 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.878 -0.791 18710 3628 1 13 . 1 1 9 9 GLU H H 9 9.217 9.217 8.665 0.552 18710 3629 1 13 . 1 1 10 10 ASN N N 10 115.995 115.995 115.494 0.501 18710 3630 1 13 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.465 -0.111 18710 3631 1 13 . 1 1 10 10 ASN C C 10 174.465 174.465 174.609 -0.144 18710 3632 1 13 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.345 -0.844 18710 3633 1 13 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.683 -0.611 18710 3634 1 13 . 1 1 10 10 ASN H H 10 9.445 9.445 8.515 0.930 18710 3635 1 13 . 1 1 11 11 TYR N N 11 122.981 122.981 118.926 4.055 18710 3636 1 13 . 1 1 11 11 TYR HA H 11 4.108 4.108 5.014 -0.906 18710 3637 1 13 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.356 3.039 18710 3638 1 13 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.328 0.972 18710 3639 1 13 . 1 1 11 11 TYR H H 11 7.533 7.533 8.035 -0.502 18710 3640 1 13 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.202 0.206 18710 3641 1 13 . 1 1 12 12 PRO C C 12 176.771 176.771 177.740 -0.969 18710 3642 1 13 . 1 1 12 12 PRO CA C 12 62.008 62.008 61.987 0.021 18710 3643 1 13 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.435 -2.117 18710 3644 1 13 . 1 1 13 13 VAL N N 13 124.171 124.171 116.836 7.335 18710 3645 1 13 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.857 -0.073 18710 3646 1 13 . 1 1 13 13 VAL C C 13 178.748 178.748 177.799 0.949 18710 3647 1 13 . 1 1 13 13 VAL CA C 13 65.650 65.650 64.999 0.651 18710 3648 1 13 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.716 -0.251 18710 3649 1 13 . 1 1 13 13 VAL H H 13 8.195 8.195 8.257 -0.062 18710 3650 1 13 . 1 1 14 14 SER N N 14 118.320 118.320 115.856 2.464 18710 3651 1 13 . 1 1 14 14 SER HA H 14 4.092 4.092 4.139 -0.047 18710 3652 1 13 . 1 1 14 14 SER C C 14 177.862 177.862 176.477 1.385 18710 3653 1 13 . 1 1 14 14 SER CA C 14 61.300 61.300 61.701 -0.401 18710 3654 1 13 . 1 1 14 14 SER CB C 14 61.302 61.302 62.973 -1.671 18710 3655 1 13 . 1 1 14 14 SER H H 14 8.577 8.577 8.184 0.393 18710 3656 1 13 . 1 1 15 15 LYS N N 15 121.997 121.997 119.353 2.644 18710 3657 1 13 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.299 -0.296 18710 3658 1 13 . 1 1 15 15 LYS C C 15 178.744 178.744 177.828 0.916 18710 3659 1 13 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.600 1.110 18710 3660 1 13 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.684 -1.297 18710 3661 1 13 . 1 1 15 15 LYS H H 15 7.886 7.886 7.685 0.201 18710 3662 1 13 . 1 1 16 16 CYS N N 16 115.824 115.824 119.812 -3.988 18710 3663 1 13 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.417 0.283 18710 3664 1 13 . 1 1 16 16 CYS C C 16 175.843 175.843 176.283 -0.440 18710 3665 1 13 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.543 -2.491 18710 3666 1 13 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.439 14.974 18710 3667 1 13 . 1 1 16 16 CYS H H 16 7.848 7.848 8.254 -0.406 18710 3668 1 13 . 1 1 17 17 GLN N N 17 115.165 115.165 117.500 -2.335 18710 3669 1 13 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.083 0.069 18710 3670 1 13 . 1 1 17 17 GLN C C 17 175.310 175.310 176.473 -1.163 18710 3671 1 13 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.638 -1.389 18710 3672 1 13 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.854 -0.198 18710 3673 1 13 . 1 1 17 17 GLN H H 17 7.398 7.398 7.934 -0.536 18710 3674 1 13 . 1 1 18 18 LEU N N 18 121.702 121.702 119.548 2.154 18710 3675 1 13 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.582 -0.099 18710 3676 1 13 . 1 1 18 18 LEU C C 18 176.211 176.211 176.417 -0.206 18710 3677 1 13 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.393 -0.024 18710 3678 1 13 . 1 1 18 18 LEU CB C 18 42.178 42.178 43.016 -0.838 18710 3679 1 13 . 1 1 18 18 LEU H H 18 7.354 7.354 8.132 -0.778 18710 3680 1 13 . 1 1 19 19 ALA N N 19 128.501 128.501 128.110 0.391 18710 3681 1 13 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.905 0.170 18710 3682 1 13 . 1 1 19 19 ALA C C 19 179.107 179.107 177.830 1.277 18710 3683 1 13 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.712 -0.814 18710 3684 1 13 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.749 -0.750 18710 3685 1 13 . 1 1 19 19 ALA H H 19 8.735 8.735 8.879 -0.144 18710 3686 1 13 . 1 1 20 20 ASN N N 20 116.786 116.786 113.288 3.498 18710 3687 1 13 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.573 0.005 18710 3688 1 13 . 1 1 20 20 ASN C C 20 174.900 174.900 176.570 -1.670 18710 3689 1 13 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.604 0.534 18710 3690 1 13 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.887 1.436 18710 3691 1 13 . 1 1 20 20 ASN H H 20 9.284 9.284 8.099 1.185 18710 3692 1 13 . 1 1 21 21 GLN N N 21 123.178 123.178 121.424 1.754 18710 3693 1 13 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.089 -0.312 18710 3694 1 13 . 1 1 21 21 GLN C C 21 176.327 176.327 177.371 -1.044 18710 3695 1 13 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.670 0.799 18710 3696 1 13 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.745 0.693 18710 3697 1 13 . 1 1 21 21 GLN H H 21 7.696 7.696 8.561 -0.865 18710 3698 1 13 . 1 1 22 22 CYS N N 22 119.327 119.327 118.606 0.721 18710 3699 1 13 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.284 -0.030 18710 3700 1 13 . 1 1 22 22 CYS C C 22 175.955 175.955 177.281 -1.326 18710 3701 1 13 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.160 -4.768 18710 3702 1 13 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.109 12.465 18710 3703 1 13 . 1 1 22 22 CYS H H 22 8.495 8.495 7.864 0.631 18710 3704 1 13 . 1 1 23 23 ASN N N 23 119.489 119.489 117.609 1.880 18710 3705 1 13 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.427 -0.662 18710 3706 1 13 . 1 1 23 23 ASN C C 23 175.773 175.773 177.796 -2.023 18710 3707 1 13 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.247 1.618 18710 3708 1 13 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.338 1.923 18710 3709 1 13 . 1 1 23 23 ASN H H 23 8.224 8.224 8.294 -0.070 18710 3710 1 13 . 1 1 24 24 TYR N N 24 118.459 118.459 120.990 -2.531 18710 3711 1 13 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.118 -0.292 18710 3712 1 13 . 1 1 24 24 TYR C C 24 178.310 178.310 178.234 0.076 18710 3713 1 13 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.005 -0.265 18710 3714 1 13 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.042 0.528 18710 3715 1 13 . 1 1 24 24 TYR H H 24 8.296 8.296 7.779 0.517 18710 3716 1 13 . 1 1 25 25 ASP N N 25 119.944 119.944 119.596 0.348 18710 3717 1 13 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.423 0.181 18710 3718 1 13 . 1 1 25 25 ASP C C 25 179.719 179.719 179.127 0.592 18710 3719 1 13 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.307 0.297 18710 3720 1 13 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.199 0.185 18710 3721 1 13 . 1 1 25 25 ASP H H 25 9.105 9.105 8.463 0.642 18710 3722 1 13 . 1 1 26 26 CYS N N 26 120.503 120.503 119.474 1.029 18710 3723 1 13 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.511 -0.434 18710 3724 1 13 . 1 1 26 26 CYS C C 26 177.789 177.789 177.930 -0.141 18710 3725 1 13 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.499 -1.972 18710 3726 1 13 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.606 10.034 18710 3727 1 13 . 1 1 26 26 CYS H H 26 9.403 9.403 9.200 0.203 18710 3728 1 13 . 1 1 27 27 LYS N N 27 119.866 119.866 120.184 -0.318 18710 3729 1 13 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.176 -0.173 18710 3730 1 13 . 1 1 27 27 LYS C C 27 177.792 177.792 179.030 -1.238 18710 3731 1 13 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.318 0.392 18710 3732 1 13 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.554 -0.352 18710 3733 1 13 . 1 1 27 27 LYS H H 27 7.652 7.652 8.453 -0.801 18710 3734 1 13 . 1 1 28 28 LEU N N 28 119.921 119.921 119.568 0.353 18710 3735 1 13 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.941 0.080 18710 3736 1 13 . 1 1 28 28 LEU C C 28 178.369 178.369 177.646 0.723 18710 3737 1 13 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.921 0.580 18710 3738 1 13 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.988 0.283 18710 3739 1 13 . 1 1 28 28 LEU H H 28 8.129 8.129 8.296 -0.167 18710 3740 1 13 . 1 1 29 29 ASP N N 29 117.215 117.215 117.550 -0.335 18710 3741 1 13 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.470 -0.087 18710 3742 1 13 . 1 1 29 29 ASP C C 29 178.274 178.274 176.977 1.297 18710 3743 1 13 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.051 0.025 18710 3744 1 13 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.230 -0.870 18710 3745 1 13 . 1 1 29 29 ASP H H 29 9.053 9.053 8.384 0.669 18710 3746 1 13 . 1 1 30 30 LYS N N 30 111.912 111.912 115.294 -3.382 18710 3747 1 13 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.429 0.016 18710 3748 1 13 . 1 1 30 30 LYS C C 30 176.629 176.629 176.307 0.322 18710 3749 1 13 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.890 -1.911 18710 3750 1 13 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.524 -1.846 18710 3751 1 13 . 1 1 30 30 LYS H H 30 6.601 6.601 7.576 -0.975 18710 3752 1 13 . 1 1 31 31 HIS N N 31 112.584 112.584 115.282 -2.698 18710 3753 1 13 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.385 0.175 18710 3754 1 13 . 1 1 31 31 HIS C C 31 174.202 174.202 173.903 0.299 18710 3755 1 13 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.801 -0.667 18710 3756 1 13 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.163 -0.553 18710 3757 1 13 . 1 1 31 31 HIS H H 31 6.937 6.937 7.709 -0.772 18710 3758 1 13 . 1 1 32 32 ALA N N 32 120.390 120.390 121.719 -1.329 18710 3759 1 13 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.328 -0.275 18710 3760 1 13 . 1 1 32 32 ALA C C 32 175.340 175.340 176.663 -1.323 18710 3761 1 13 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.764 -1.156 18710 3762 1 13 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.314 -2.402 18710 3763 1 13 . 1 1 32 32 ALA H H 32 7.639 7.639 8.066 -0.427 18710 3764 1 13 . 1 1 33 33 ARG N N 33 116.855 116.855 117.306 -0.451 18710 3765 1 13 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.609 -0.518 18710 3766 1 13 . 1 1 33 33 ARG C C 33 176.630 176.630 178.124 -1.494 18710 3767 1 13 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.535 -0.597 18710 3768 1 13 . 1 1 33 33 ARG CB C 33 30.555 30.555 31.651 -1.096 18710 3769 1 13 . 1 1 33 33 ARG H H 33 8.270 8.270 8.283 -0.013 18710 3770 1 13 . 1 1 34 34 SER N N 34 109.872 109.872 112.883 -3.011 18710 3771 1 13 . 1 1 34 34 SER HA H 34 4.563 4.563 4.542 0.021 18710 3772 1 13 . 1 1 34 34 SER C C 34 173.047 173.047 173.738 -0.691 18710 3773 1 13 . 1 1 34 34 SER CA C 34 57.747 57.747 56.998 0.749 18710 3774 1 13 . 1 1 34 34 SER CB C 34 65.477 65.477 64.446 1.031 18710 3775 1 13 . 1 1 34 34 SER H H 34 8.073 8.073 8.113 -0.040 18710 3776 1 13 . 1 1 35 35 GLY N N 35 107.697 107.697 111.406 -3.709 18710 3777 1 13 . 1 1 35 35 GLY C C 35 170.741 170.741 174.491 -3.750 18710 3778 1 13 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.381 0.537 18710 3779 1 13 . 1 1 35 35 GLY H H 35 8.869 8.869 8.273 0.596 18710 3780 1 13 . 1 1 36 36 GLU N N 36 118.971 118.971 119.569 -0.598 18710 3781 1 13 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.406 -0.254 18710 3782 1 13 . 1 1 36 36 GLU C C 36 173.995 173.995 176.237 -2.242 18710 3783 1 13 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.471 0.020 18710 3784 1 13 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.046 0.228 18710 3785 1 13 . 1 1 36 36 GLU H H 36 8.226 8.226 7.803 0.423 18710 3786 1 13 . 1 1 37 37 CYS N N 37 120.679 120.679 121.053 -0.374 18710 3787 1 13 . 1 1 37 37 CYS HA H 37 6.114 6.114 4.909 1.205 18710 3788 1 13 . 1 1 37 37 CYS C C 37 173.692 173.692 174.577 -0.885 18710 3789 1 13 . 1 1 37 37 CYS CA C 37 56.316 56.316 59.036 -2.720 18710 3790 1 13 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.149 17.789 18710 3791 1 13 . 1 1 37 37 CYS H H 37 8.851 8.851 8.597 0.254 18710 3792 1 13 . 1 1 38 38 PHE N N 38 120.484 120.484 119.625 0.859 18710 3793 1 13 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.717 -0.042 18710 3794 1 13 . 1 1 38 38 PHE C C 38 175.480 175.480 173.928 1.552 18710 3795 1 13 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.494 0.244 18710 3796 1 13 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.936 0.844 18710 3797 1 13 . 1 1 38 38 PHE H H 38 9.072 9.072 8.430 0.642 18710 3798 1 13 . 1 1 39 39 TYR N N 39 122.666 122.666 119.367 3.299 18710 3799 1 13 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.035 -0.247 18710 3800 1 13 . 1 1 39 39 TYR C C 39 176.738 176.738 176.081 0.657 18710 3801 1 13 . 1 1 39 39 TYR CA C 39 58.938 58.938 58.089 0.849 18710 3802 1 13 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.470 0.790 18710 3803 1 13 . 1 1 39 39 TYR H H 39 9.002 9.002 8.704 0.298 18710 3804 1 13 . 1 1 40 40 ASP N N 40 123.525 123.525 124.283 -0.758 18710 3805 1 13 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.842 -0.154 18710 3806 1 13 . 1 1 40 40 ASP C C 40 178.719 178.719 177.353 1.366 18710 3807 1 13 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.476 -0.246 18710 3808 1 13 . 1 1 40 40 ASP CB C 40 40.964 40.964 42.142 -1.178 18710 3809 1 13 . 1 1 40 40 ASP H H 40 8.707 8.707 7.993 0.714 18710 3810 1 13 . 1 1 41 41 GLU N N 41 118.054 118.054 120.303 -2.249 18710 3811 1 13 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.177 -0.028 18710 3812 1 13 . 1 1 41 41 GLU C C 41 177.487 177.487 176.773 0.714 18710 3813 1 13 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.263 -0.343 18710 3814 1 13 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.650 -0.997 18710 3815 1 13 . 1 1 41 41 GLU H H 41 9.098 9.098 8.933 0.165 18710 3816 1 13 . 1 1 42 42 LYS N N 42 120.287 120.287 117.083 3.204 18710 3817 1 13 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.445 -0.074 18710 3818 1 13 . 1 1 42 42 LYS C C 42 175.319 175.319 175.672 -0.353 18710 3819 1 13 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.617 -0.230 18710 3820 1 13 . 1 1 42 42 LYS CB C 42 31.935 31.935 32.036 -0.101 18710 3821 1 13 . 1 1 42 42 LYS H H 42 8.104 8.104 7.940 0.164 18710 3822 1 13 . 1 1 43 43 ARG N N 43 113.150 113.150 116.179 -3.029 18710 3823 1 13 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.196 -0.622 18710 3824 1 13 . 1 1 43 43 ARG C C 43 174.823 174.823 174.772 0.051 18710 3825 1 13 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.111 0.008 18710 3826 1 13 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.025 -2.441 18710 3827 1 13 . 1 1 43 43 ARG H H 43 8.305 8.305 7.734 0.571 18710 3828 1 13 . 1 1 44 44 ASN N N 44 118.284 118.284 116.049 2.235 18710 3829 1 13 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.742 0.212 18710 3830 1 13 . 1 1 44 44 ASN C C 44 174.806 174.806 174.910 -0.104 18710 3831 1 13 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.129 0.524 18710 3832 1 13 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.399 -0.318 18710 3833 1 13 . 1 1 44 44 ASN H H 44 8.771 8.771 7.878 0.892 18710 3834 1 13 . 1 1 45 45 LEU N N 45 126.852 126.852 123.685 3.167 18710 3835 1 13 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.351 -0.311 18710 3836 1 13 . 1 1 45 45 LEU C C 45 175.554 175.554 176.234 -0.680 18710 3837 1 13 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.466 0.564 18710 3838 1 13 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.822 2.033 18710 3839 1 13 . 1 1 45 45 LEU H H 45 8.740 8.740 8.480 0.260 18710 3840 1 13 . 1 1 46 46 GLN N N 46 120.892 120.892 121.415 -0.523 18710 3841 1 13 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.483 0.157 18710 3842 1 13 . 1 1 46 46 GLN C C 46 174.603 174.603 175.146 -0.543 18710 3843 1 13 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.449 0.348 18710 3844 1 13 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.418 1.982 18710 3845 1 13 . 1 1 46 46 GLN H H 46 8.462 8.462 8.383 0.079 18710 3846 1 13 . 1 1 47 47 CYS N N 47 122.189 122.189 124.487 -2.298 18710 3847 1 13 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.262 0.492 18710 3848 1 13 . 1 1 47 47 CYS C C 47 171.892 171.892 174.463 -2.571 18710 3849 1 13 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.946 -4.935 18710 3850 1 13 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.389 12.674 18710 3851 1 13 . 1 1 47 47 CYS H H 47 9.292 9.292 8.914 0.378 18710 3852 1 13 . 1 1 48 48 ILE N N 48 129.091 129.091 126.409 2.682 18710 3853 1 13 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.688 -0.418 18710 3854 1 13 . 1 1 48 48 ILE C C 48 175.922 175.922 175.407 0.515 18710 3855 1 13 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.230 0.101 18710 3856 1 13 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.600 -1.637 18710 3857 1 13 . 1 1 48 48 ILE H H 48 8.724 8.724 8.925 -0.201 18710 3858 1 13 . 1 1 49 49 CYS N N 49 126.727 126.727 128.559 -1.832 18710 3859 1 13 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.327 0.901 18710 3860 1 13 . 1 1 49 49 CYS C C 49 172.511 172.511 173.521 -1.010 18710 3861 1 13 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.375 -7.785 18710 3862 1 13 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.793 8.741 18710 3863 1 13 . 1 1 49 49 CYS H H 49 8.457 8.457 8.828 -0.371 18710 3864 1 13 . 1 1 50 50 ASP N N 50 122.574 122.574 125.403 -2.829 18710 3865 1 13 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.792 0.718 18710 3866 1 13 . 1 1 50 50 ASP C C 50 176.217 176.217 175.349 0.868 18710 3867 1 13 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.678 -0.595 18710 3868 1 13 . 1 1 50 50 ASP CB C 50 42.870 42.870 42.080 0.791 18710 3869 1 13 . 1 1 50 50 ASP H H 50 8.896 8.896 8.617 0.279 18710 3870 1 13 . 1 1 51 51 TYR N N 51 125.641 125.641 123.443 2.198 18710 3871 1 13 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.741 -0.625 18710 3872 1 13 . 1 1 51 51 TYR C C 51 175.491 175.491 174.614 0.877 18710 3873 1 13 . 1 1 51 51 TYR CA C 51 59.295 59.295 57.574 1.721 18710 3874 1 13 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.808 1.732 18710 3875 1 13 . 1 1 51 51 TYR H H 51 9.819 9.819 7.727 2.092 18710 3876 1 13 . 1 1 52 52 CYS N N 52 121.040 121.040 117.888 3.152 18710 3877 1 13 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.544 -0.172 18710 3878 1 13 . 1 1 52 52 CYS C C 52 173.129 173.129 173.756 -0.627 18710 3879 1 13 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.576 -3.551 18710 3880 1 13 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.739 13.502 18710 3881 1 13 . 1 1 52 52 CYS H H 52 9.700 9.700 7.711 1.989 18710 3882 1 13 . 1 1 53 53 GLU N N 53 121.628 121.628 121.712 -0.084 18710 3883 1 13 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.327 -0.062 18710 3884 1 13 . 1 1 53 53 GLU C C 53 174.253 174.253 175.916 -1.663 18710 3885 1 13 . 1 1 53 53 GLU CA C 53 55.200 55.200 55.907 -0.707 18710 3886 1 13 . 1 1 53 53 GLU CB C 53 31.198 31.198 27.766 3.432 18710 3887 1 13 . 1 1 53 53 GLU H H 53 8.466 8.466 8.662 -0.196 18710 3888 1 14 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.031 0.215 18710 3889 1 14 . 1 1 3 3 LYS C C 3 176.970 176.970 177.794 -0.824 18710 3890 1 14 . 1 1 3 3 LYS CA C 3 57.314 57.314 59.337 -2.023 18710 3891 1 14 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.488 0.023 18710 3892 1 14 . 1 1 4 4 CYS N N 4 117.663 117.663 114.239 3.424 18710 3893 1 14 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.434 0.180 18710 3894 1 14 . 1 1 4 4 CYS C C 4 174.336 174.336 175.526 -1.190 18710 3895 1 14 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.103 -1.822 18710 3896 1 14 . 1 1 4 4 CYS CB C 4 41.329 41.329 25.901 15.428 18710 3897 1 14 . 1 1 4 4 CYS H H 4 8.552 8.552 8.374 0.178 18710 3898 1 14 . 1 1 5 5 LYS N N 5 118.468 118.468 120.909 -2.441 18710 3899 1 14 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.481 1.038 18710 3900 1 14 . 1 1 5 5 LYS C C 5 176.806 176.806 175.743 1.063 18710 3901 1 14 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.172 -0.417 18710 3902 1 14 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.152 3.396 18710 3903 1 14 . 1 1 5 5 LYS H H 5 8.067 8.067 7.594 0.473 18710 3904 1 14 . 1 1 6 6 LYS N N 6 121.028 121.028 124.878 -3.850 18710 3905 1 14 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.664 0.052 18710 3906 1 14 . 1 1 6 6 LYS C C 6 176.149 176.149 174.442 1.707 18710 3907 1 14 . 1 1 6 6 LYS CA C 6 55.267 55.267 55.001 0.266 18710 3908 1 14 . 1 1 6 6 LYS CB C 6 36.779 36.779 36.153 0.626 18710 3909 1 14 . 1 1 6 6 LYS H H 6 9.043 9.043 8.554 0.489 18710 3910 1 14 . 1 1 7 7 VAL N N 7 128.686 128.686 122.964 5.722 18710 3911 1 14 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.371 -0.474 18710 3912 1 14 . 1 1 7 7 VAL C C 7 175.013 175.013 174.830 0.183 18710 3913 1 14 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.320 3.496 18710 3914 1 14 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.512 -0.370 18710 3915 1 14 . 1 1 7 7 VAL H H 7 8.991 8.991 8.545 0.446 18710 3916 1 14 . 1 1 8 8 TYR N N 8 129.909 129.909 125.416 4.493 18710 3917 1 14 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.867 -0.496 18710 3918 1 14 . 1 1 8 8 TYR C C 8 175.018 175.018 174.602 0.416 18710 3919 1 14 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.808 -1.421 18710 3920 1 14 . 1 1 8 8 TYR CB C 8 35.820 35.820 40.101 -4.281 18710 3921 1 14 . 1 1 8 8 TYR H H 8 9.265 9.265 7.957 1.308 18710 3922 1 14 . 1 1 9 9 GLU N N 9 131.262 131.262 125.063 6.199 18710 3923 1 14 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.815 0.296 18710 3924 1 14 . 1 1 9 9 GLU C C 9 177.071 177.071 177.141 -0.070 18710 3925 1 14 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.500 0.659 18710 3926 1 14 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.851 -0.763 18710 3927 1 14 . 1 1 9 9 GLU H H 9 9.217 9.217 8.670 0.547 18710 3928 1 14 . 1 1 10 10 ASN N N 10 115.995 115.995 115.484 0.511 18710 3929 1 14 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.445 -0.091 18710 3930 1 14 . 1 1 10 10 ASN C C 10 174.465 174.465 174.546 -0.081 18710 3931 1 14 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.300 -0.799 18710 3932 1 14 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.702 -0.630 18710 3933 1 14 . 1 1 10 10 ASN H H 10 9.445 9.445 8.461 0.984 18710 3934 1 14 . 1 1 11 11 TYR N N 11 122.981 122.981 118.367 4.614 18710 3935 1 14 . 1 1 11 11 TYR HA H 11 4.108 4.108 5.015 -0.907 18710 3936 1 14 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.228 3.167 18710 3937 1 14 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.180 1.120 18710 3938 1 14 . 1 1 11 11 TYR H H 11 7.533 7.533 7.785 -0.252 18710 3939 1 14 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.178 0.230 18710 3940 1 14 . 1 1 12 12 PRO C C 12 176.771 176.771 177.853 -1.082 18710 3941 1 14 . 1 1 12 12 PRO CA C 12 62.008 62.008 62.014 -0.006 18710 3942 1 14 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.608 -2.290 18710 3943 1 14 . 1 1 13 13 VAL N N 13 124.171 124.171 119.512 4.659 18710 3944 1 14 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.885 -0.101 18710 3945 1 14 . 1 1 13 13 VAL C C 13 178.748 178.748 177.742 1.006 18710 3946 1 14 . 1 1 13 13 VAL CA C 13 65.650 65.650 65.014 0.636 18710 3947 1 14 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.784 -0.319 18710 3948 1 14 . 1 1 13 13 VAL H H 13 8.195 8.195 8.352 -0.157 18710 3949 1 14 . 1 1 14 14 SER N N 14 118.320 118.320 115.525 2.795 18710 3950 1 14 . 1 1 14 14 SER HA H 14 4.092 4.092 4.186 -0.094 18710 3951 1 14 . 1 1 14 14 SER C C 14 177.862 177.862 176.400 1.462 18710 3952 1 14 . 1 1 14 14 SER CA C 14 61.300 61.300 61.355 -0.055 18710 3953 1 14 . 1 1 14 14 SER CB C 14 61.302 61.302 63.020 -1.718 18710 3954 1 14 . 1 1 14 14 SER H H 14 8.577 8.577 8.255 0.322 18710 3955 1 14 . 1 1 15 15 LYS N N 15 121.997 121.997 118.995 3.002 18710 3956 1 14 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.347 -0.344 18710 3957 1 14 . 1 1 15 15 LYS C C 15 178.744 178.744 178.085 0.659 18710 3958 1 14 . 1 1 15 15 LYS CA C 15 59.710 59.710 57.920 1.790 18710 3959 1 14 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.284 -0.897 18710 3960 1 14 . 1 1 15 15 LYS H H 15 7.886 7.886 7.804 0.082 18710 3961 1 14 . 1 1 16 16 CYS N N 16 115.824 115.824 118.781 -2.957 18710 3962 1 14 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.484 0.216 18710 3963 1 14 . 1 1 16 16 CYS C C 16 175.843 175.843 176.430 -0.587 18710 3964 1 14 . 1 1 16 16 CYS CA C 16 58.052 58.052 61.082 -3.030 18710 3965 1 14 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.483 14.930 18710 3966 1 14 . 1 1 16 16 CYS H H 16 7.848 7.848 8.327 -0.479 18710 3967 1 14 . 1 1 17 17 GLN N N 17 115.165 115.165 117.229 -2.064 18710 3968 1 14 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.098 0.054 18710 3969 1 14 . 1 1 17 17 GLN C C 17 175.310 175.310 176.474 -1.164 18710 3970 1 14 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.573 -1.324 18710 3971 1 14 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.988 -0.332 18710 3972 1 14 . 1 1 17 17 GLN H H 17 7.398 7.398 7.859 -0.461 18710 3973 1 14 . 1 1 18 18 LEU N N 18 121.702 121.702 119.602 2.100 18710 3974 1 14 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.576 -0.093 18710 3975 1 14 . 1 1 18 18 LEU C C 18 176.211 176.211 176.294 -0.083 18710 3976 1 14 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.324 0.045 18710 3977 1 14 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.745 -0.567 18710 3978 1 14 . 1 1 18 18 LEU H H 18 7.354 7.354 8.205 -0.851 18710 3979 1 14 . 1 1 19 19 ALA N N 19 128.501 128.501 127.932 0.569 18710 3980 1 14 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.908 0.167 18710 3981 1 14 . 1 1 19 19 ALA C C 19 179.107 179.107 177.798 1.309 18710 3982 1 14 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.655 -0.757 18710 3983 1 14 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.812 -0.813 18710 3984 1 14 . 1 1 19 19 ALA H H 19 8.735 8.735 8.871 -0.136 18710 3985 1 14 . 1 1 20 20 ASN N N 20 116.786 116.786 114.127 2.659 18710 3986 1 14 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.541 0.037 18710 3987 1 14 . 1 1 20 20 ASN C C 20 174.900 174.900 176.882 -1.982 18710 3988 1 14 . 1 1 20 20 ASN CA C 20 55.138 55.138 55.113 0.025 18710 3989 1 14 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.840 1.483 18710 3990 1 14 . 1 1 20 20 ASN H H 20 9.284 9.284 8.043 1.241 18710 3991 1 14 . 1 1 21 21 GLN N N 21 123.178 123.178 121.483 1.695 18710 3992 1 14 . 1 1 21 21 GLN HA H 21 3.777 3.777 3.972 -0.195 18710 3993 1 14 . 1 1 21 21 GLN C C 21 176.327 176.327 177.639 -1.312 18710 3994 1 14 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.765 0.704 18710 3995 1 14 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.386 1.052 18710 3996 1 14 . 1 1 21 21 GLN H H 21 7.696 7.696 8.544 -0.848 18710 3997 1 14 . 1 1 22 22 CYS N N 22 119.327 119.327 117.974 1.353 18710 3998 1 14 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.248 0.006 18710 3999 1 14 . 1 1 22 22 CYS C C 22 175.955 175.955 177.294 -1.339 18710 4000 1 14 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.060 -4.668 18710 4001 1 14 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.053 12.521 18710 4002 1 14 . 1 1 22 22 CYS H H 22 8.495 8.495 7.826 0.669 18710 4003 1 14 . 1 1 23 23 ASN N N 23 119.489 119.489 118.092 1.397 18710 4004 1 14 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.394 -0.629 18710 4005 1 14 . 1 1 23 23 ASN C C 23 175.773 175.773 177.692 -1.919 18710 4006 1 14 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.297 1.568 18710 4007 1 14 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.377 1.884 18710 4008 1 14 . 1 1 23 23 ASN H H 23 8.224 8.224 8.116 0.108 18710 4009 1 14 . 1 1 24 24 TYR N N 24 118.459 118.459 120.969 -2.510 18710 4010 1 14 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.108 -0.282 18710 4011 1 14 . 1 1 24 24 TYR C C 24 178.310 178.310 178.263 0.047 18710 4012 1 14 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.108 -0.368 18710 4013 1 14 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.065 0.505 18710 4014 1 14 . 1 1 24 24 TYR H H 24 8.296 8.296 8.006 0.290 18710 4015 1 14 . 1 1 25 25 ASP N N 25 119.944 119.944 119.576 0.368 18710 4016 1 14 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.453 0.151 18710 4017 1 14 . 1 1 25 25 ASP C C 25 179.719 179.719 179.085 0.634 18710 4018 1 14 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.303 0.301 18710 4019 1 14 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.329 0.055 18710 4020 1 14 . 1 1 25 25 ASP H H 25 9.105 9.105 8.456 0.649 18710 4021 1 14 . 1 1 26 26 CYS N N 26 120.503 120.503 119.467 1.036 18710 4022 1 14 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.484 -0.407 18710 4023 1 14 . 1 1 26 26 CYS C C 26 177.789 177.789 177.906 -0.117 18710 4024 1 14 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.506 -1.978 18710 4025 1 14 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.558 10.082 18710 4026 1 14 . 1 1 26 26 CYS H H 26 9.403 9.403 9.239 0.164 18710 4027 1 14 . 1 1 27 27 LYS N N 27 119.866 119.866 120.217 -0.351 18710 4028 1 14 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.174 -0.171 18710 4029 1 14 . 1 1 27 27 LYS C C 27 177.792 177.792 179.014 -1.222 18710 4030 1 14 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.298 0.412 18710 4031 1 14 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.588 -0.386 18710 4032 1 14 . 1 1 27 27 LYS H H 27 7.652 7.652 8.376 -0.724 18710 4033 1 14 . 1 1 28 28 LEU N N 28 119.921 119.921 119.605 0.316 18710 4034 1 14 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.938 0.083 18710 4035 1 14 . 1 1 28 28 LEU C C 28 178.369 178.369 177.676 0.693 18710 4036 1 14 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.943 0.558 18710 4037 1 14 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.961 0.310 18710 4038 1 14 . 1 1 28 28 LEU H H 28 8.129 8.129 8.252 -0.123 18710 4039 1 14 . 1 1 29 29 ASP N N 29 117.215 117.215 117.484 -0.269 18710 4040 1 14 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.475 -0.092 18710 4041 1 14 . 1 1 29 29 ASP C C 29 178.274 178.274 176.958 1.316 18710 4042 1 14 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.042 0.034 18710 4043 1 14 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.240 -0.880 18710 4044 1 14 . 1 1 29 29 ASP H H 29 9.053 9.053 8.401 0.652 18710 4045 1 14 . 1 1 30 30 LYS N N 30 111.912 111.912 115.249 -3.337 18710 4046 1 14 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.404 0.041 18710 4047 1 14 . 1 1 30 30 LYS C C 30 176.629 176.629 176.284 0.345 18710 4048 1 14 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.910 -1.931 18710 4049 1 14 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.603 -1.925 18710 4050 1 14 . 1 1 30 30 LYS H H 30 6.601 6.601 7.527 -0.926 18710 4051 1 14 . 1 1 31 31 HIS N N 31 112.584 112.584 115.320 -2.736 18710 4052 1 14 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.371 0.189 18710 4053 1 14 . 1 1 31 31 HIS C C 31 174.202 174.202 173.861 0.341 18710 4054 1 14 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.749 -0.615 18710 4055 1 14 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.144 -0.534 18710 4056 1 14 . 1 1 31 31 HIS H H 31 6.937 6.937 7.728 -0.791 18710 4057 1 14 . 1 1 32 32 ALA N N 32 120.390 120.390 121.318 -0.928 18710 4058 1 14 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.288 -0.235 18710 4059 1 14 . 1 1 32 32 ALA C C 32 175.340 175.340 176.169 -0.829 18710 4060 1 14 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.621 -1.013 18710 4061 1 14 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.418 -2.506 18710 4062 1 14 . 1 1 32 32 ALA H H 32 7.639 7.639 8.110 -0.471 18710 4063 1 14 . 1 1 33 33 ARG N N 33 116.855 116.855 116.499 0.356 18710 4064 1 14 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.500 -0.409 18710 4065 1 14 . 1 1 33 33 ARG C C 33 176.630 176.630 177.229 -0.599 18710 4066 1 14 . 1 1 33 33 ARG CA C 33 57.938 57.938 57.912 0.026 18710 4067 1 14 . 1 1 33 33 ARG CB C 33 30.555 30.555 31.616 -1.061 18710 4068 1 14 . 1 1 33 33 ARG H H 33 8.270 8.270 8.139 0.131 18710 4069 1 14 . 1 1 34 34 SER N N 34 109.872 109.872 111.974 -2.102 18710 4070 1 14 . 1 1 34 34 SER HA H 34 4.563 4.563 4.482 0.081 18710 4071 1 14 . 1 1 34 34 SER C C 34 173.047 173.047 174.136 -1.089 18710 4072 1 14 . 1 1 34 34 SER CA C 34 57.747 57.747 57.221 0.526 18710 4073 1 14 . 1 1 34 34 SER CB C 34 65.477 65.477 64.220 1.257 18710 4074 1 14 . 1 1 34 34 SER H H 34 8.073 8.073 7.824 0.249 18710 4075 1 14 . 1 1 35 35 GLY N N 35 107.697 107.697 111.834 -4.137 18710 4076 1 14 . 1 1 35 35 GLY C C 35 170.741 170.741 174.413 -3.672 18710 4077 1 14 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.415 0.503 18710 4078 1 14 . 1 1 35 35 GLY H H 35 8.869 8.869 8.300 0.569 18710 4079 1 14 . 1 1 36 36 GLU N N 36 118.971 118.971 119.469 -0.498 18710 4080 1 14 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.504 -0.352 18710 4081 1 14 . 1 1 36 36 GLU C C 36 173.995 173.995 175.983 -1.988 18710 4082 1 14 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.205 0.286 18710 4083 1 14 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.584 -0.310 18710 4084 1 14 . 1 1 36 36 GLU H H 36 8.226 8.226 7.800 0.426 18710 4085 1 14 . 1 1 37 37 CYS N N 37 120.679 120.679 120.133 0.546 18710 4086 1 14 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.187 0.927 18710 4087 1 14 . 1 1 37 37 CYS C C 37 173.692 173.692 174.351 -0.659 18710 4088 1 14 . 1 1 37 37 CYS CA C 37 56.316 56.316 57.492 -1.176 18710 4089 1 14 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.497 17.441 18710 4090 1 14 . 1 1 37 37 CYS H H 37 8.851 8.851 8.478 0.373 18710 4091 1 14 . 1 1 38 38 PHE N N 38 120.484 120.484 118.802 1.682 18710 4092 1 14 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.700 -0.025 18710 4093 1 14 . 1 1 38 38 PHE C C 38 175.480 175.480 174.701 0.779 18710 4094 1 14 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.770 -0.032 18710 4095 1 14 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.969 0.811 18710 4096 1 14 . 1 1 38 38 PHE H H 38 9.072 9.072 8.418 0.654 18710 4097 1 14 . 1 1 39 39 TYR N N 39 122.666 122.666 121.916 0.750 18710 4098 1 14 . 1 1 39 39 TYR HA H 39 4.788 4.788 4.626 0.162 18710 4099 1 14 . 1 1 39 39 TYR C C 39 176.738 176.738 176.120 0.618 18710 4100 1 14 . 1 1 39 39 TYR CA C 39 58.938 58.938 59.199 -0.261 18710 4101 1 14 . 1 1 39 39 TYR CB C 39 40.260 40.260 38.322 1.938 18710 4102 1 14 . 1 1 39 39 TYR H H 39 9.002 9.002 8.878 0.124 18710 4103 1 14 . 1 1 40 40 ASP N N 40 123.525 123.525 125.096 -1.571 18710 4104 1 14 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.906 -0.218 18710 4105 1 14 . 1 1 40 40 ASP C C 40 178.719 178.719 177.495 1.224 18710 4106 1 14 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.823 -0.593 18710 4107 1 14 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.559 -0.595 18710 4108 1 14 . 1 1 40 40 ASP H H 40 8.707 8.707 8.179 0.528 18710 4109 1 14 . 1 1 41 41 GLU N N 41 118.054 118.054 120.100 -2.046 18710 4110 1 14 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.171 -0.022 18710 4111 1 14 . 1 1 41 41 GLU C C 41 177.487 177.487 176.967 0.520 18710 4112 1 14 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.064 -0.144 18710 4113 1 14 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.662 -1.009 18710 4114 1 14 . 1 1 41 41 GLU H H 41 9.098 9.098 8.766 0.332 18710 4115 1 14 . 1 1 42 42 LYS N N 42 120.287 120.287 117.291 2.996 18710 4116 1 14 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.456 -0.085 18710 4117 1 14 . 1 1 42 42 LYS C C 42 175.319 175.319 175.704 -0.385 18710 4118 1 14 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.651 -0.264 18710 4119 1 14 . 1 1 42 42 LYS CB C 42 31.935 31.935 31.903 0.032 18710 4120 1 14 . 1 1 42 42 LYS H H 42 8.104 8.104 7.999 0.105 18710 4121 1 14 . 1 1 43 43 ARG N N 43 113.150 113.150 116.158 -3.008 18710 4122 1 14 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.143 -0.569 18710 4123 1 14 . 1 1 43 43 ARG C C 43 174.823 174.823 174.641 0.182 18710 4124 1 14 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.164 -0.045 18710 4125 1 14 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.555 -2.971 18710 4126 1 14 . 1 1 43 43 ARG H H 43 8.305 8.305 7.723 0.582 18710 4127 1 14 . 1 1 44 44 ASN N N 44 118.284 118.284 115.539 2.745 18710 4128 1 14 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.782 0.172 18710 4129 1 14 . 1 1 44 44 ASN C C 44 174.806 174.806 174.633 0.173 18710 4130 1 14 . 1 1 44 44 ASN CA C 44 52.653 52.653 51.992 0.661 18710 4131 1 14 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.556 -0.475 18710 4132 1 14 . 1 1 44 44 ASN H H 44 8.771 8.771 7.844 0.927 18710 4133 1 14 . 1 1 45 45 LEU N N 45 126.852 126.852 123.098 3.754 18710 4134 1 14 . 1 1 45 45 LEU HA H 45 4.040 4.040 3.957 0.083 18710 4135 1 14 . 1 1 45 45 LEU C C 45 175.554 175.554 175.645 -0.091 18710 4136 1 14 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.693 0.337 18710 4137 1 14 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.991 1.864 18710 4138 1 14 . 1 1 45 45 LEU H H 45 8.740 8.740 8.467 0.273 18710 4139 1 14 . 1 1 46 46 GLN N N 46 120.892 120.892 121.557 -0.665 18710 4140 1 14 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.569 0.070 18710 4141 1 14 . 1 1 46 46 GLN C C 46 174.603 174.603 175.584 -0.981 18710 4142 1 14 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.168 0.629 18710 4143 1 14 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.496 1.904 18710 4144 1 14 . 1 1 46 46 GLN H H 46 8.462 8.462 7.826 0.636 18710 4145 1 14 . 1 1 47 47 CYS N N 47 122.189 122.189 124.589 -2.400 18710 4146 1 14 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.228 0.526 18710 4147 1 14 . 1 1 47 47 CYS C C 47 171.892 171.892 174.546 -2.654 18710 4148 1 14 . 1 1 47 47 CYS CA C 47 55.011 55.011 60.094 -5.083 18710 4149 1 14 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.375 12.688 18710 4150 1 14 . 1 1 47 47 CYS H H 47 9.292 9.292 8.991 0.301 18710 4151 1 14 . 1 1 48 48 ILE N N 48 129.091 129.091 126.386 2.705 18710 4152 1 14 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.681 -0.411 18710 4153 1 14 . 1 1 48 48 ILE C C 48 175.922 175.922 175.485 0.437 18710 4154 1 14 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.309 0.022 18710 4155 1 14 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.412 -1.449 18710 4156 1 14 . 1 1 48 48 ILE H H 48 8.724 8.724 9.022 -0.298 18710 4157 1 14 . 1 1 49 49 CYS N N 49 126.727 126.727 128.388 -1.661 18710 4158 1 14 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.281 0.947 18710 4159 1 14 . 1 1 49 49 CYS C C 49 172.511 172.511 173.483 -0.972 18710 4160 1 14 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.480 -7.890 18710 4161 1 14 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.331 9.203 18710 4162 1 14 . 1 1 49 49 CYS H H 49 8.457 8.457 8.783 -0.326 18710 4163 1 14 . 1 1 50 50 ASP N N 50 122.574 122.574 125.738 -3.164 18710 4164 1 14 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.785 0.725 18710 4165 1 14 . 1 1 50 50 ASP C C 50 176.217 176.217 174.890 1.327 18710 4166 1 14 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.102 -0.019 18710 4167 1 14 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.481 1.389 18710 4168 1 14 . 1 1 50 50 ASP H H 50 8.896 8.896 8.481 0.415 18710 4169 1 14 . 1 1 51 51 TYR N N 51 125.641 125.641 122.507 3.134 18710 4170 1 14 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.661 -0.545 18710 4171 1 14 . 1 1 51 51 TYR C C 51 175.491 175.491 174.860 0.631 18710 4172 1 14 . 1 1 51 51 TYR CA C 51 59.295 59.295 57.353 1.942 18710 4173 1 14 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.811 1.729 18710 4174 1 14 . 1 1 51 51 TYR H H 51 9.819 9.819 7.574 2.245 18710 4175 1 14 . 1 1 52 52 CYS N N 52 121.040 121.040 118.165 2.875 18710 4176 1 14 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.500 -0.128 18710 4177 1 14 . 1 1 52 52 CYS C C 52 173.129 173.129 173.781 -0.652 18710 4178 1 14 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.605 -3.580 18710 4179 1 14 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.323 13.918 18710 4180 1 14 . 1 1 52 52 CYS H H 52 9.700 9.700 7.599 2.101 18710 4181 1 14 . 1 1 53 53 GLU N N 53 121.628 121.628 122.260 -0.632 18710 4182 1 14 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.720 -0.455 18710 4183 1 14 . 1 1 53 53 GLU C C 53 174.253 174.253 176.024 -1.771 18710 4184 1 14 . 1 1 53 53 GLU CA C 53 55.200 55.200 56.010 -0.810 18710 4185 1 14 . 1 1 53 53 GLU CB C 53 31.198 31.198 27.630 3.568 18710 4186 1 14 . 1 1 53 53 GLU H H 53 8.466 8.466 8.735 -0.269 18710 4187 1 15 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.195 0.051 18710 4188 1 15 . 1 1 3 3 LYS C C 3 176.970 176.970 177.784 -0.814 18710 4189 1 15 . 1 1 3 3 LYS CA C 3 57.314 57.314 58.412 -1.098 18710 4190 1 15 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.717 -0.206 18710 4191 1 15 . 1 1 4 4 CYS N N 4 117.663 117.663 115.207 2.456 18710 4192 1 15 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.570 0.044 18710 4193 1 15 . 1 1 4 4 CYS C C 4 174.336 174.336 175.490 -1.154 18710 4194 1 15 . 1 1 4 4 CYS CA C 4 57.281 57.281 58.860 -1.579 18710 4195 1 15 . 1 1 4 4 CYS CB C 4 41.329 41.329 27.565 13.764 18710 4196 1 15 . 1 1 4 4 CYS H H 4 8.552 8.552 8.423 0.129 18710 4197 1 15 . 1 1 5 5 LYS N N 5 118.468 118.468 121.464 -2.996 18710 4198 1 15 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.466 1.053 18710 4199 1 15 . 1 1 5 5 LYS C C 5 176.806 176.806 175.931 0.875 18710 4200 1 15 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.992 -1.237 18710 4201 1 15 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.126 3.422 18710 4202 1 15 . 1 1 5 5 LYS H H 5 8.067 8.067 8.086 -0.019 18710 4203 1 15 . 1 1 6 6 LYS N N 6 121.028 121.028 125.384 -4.356 18710 4204 1 15 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.616 0.100 18710 4205 1 15 . 1 1 6 6 LYS C C 6 176.149 176.149 174.276 1.873 18710 4206 1 15 . 1 1 6 6 LYS CA C 6 55.267 55.267 55.006 0.261 18710 4207 1 15 . 1 1 6 6 LYS CB C 6 36.779 36.779 35.908 0.871 18710 4208 1 15 . 1 1 6 6 LYS H H 6 9.043 9.043 8.899 0.144 18710 4209 1 15 . 1 1 7 7 VAL N N 7 128.686 128.686 123.115 5.571 18710 4210 1 15 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.381 -0.484 18710 4211 1 15 . 1 1 7 7 VAL C C 7 175.013 175.013 175.101 -0.088 18710 4212 1 15 . 1 1 7 7 VAL CA C 7 63.816 63.816 59.936 3.880 18710 4213 1 15 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.655 -0.513 18710 4214 1 15 . 1 1 7 7 VAL H H 7 8.991 8.991 8.457 0.534 18710 4215 1 15 . 1 1 8 8 TYR N N 8 129.909 129.909 125.976 3.933 18710 4216 1 15 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.892 -0.521 18710 4217 1 15 . 1 1 8 8 TYR C C 8 175.018 175.018 174.432 0.586 18710 4218 1 15 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.842 -1.455 18710 4219 1 15 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.560 -3.740 18710 4220 1 15 . 1 1 8 8 TYR H H 8 9.265 9.265 7.878 1.387 18710 4221 1 15 . 1 1 9 9 GLU N N 9 131.262 131.262 125.572 5.690 18710 4222 1 15 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.641 0.470 18710 4223 1 15 . 1 1 9 9 GLU C C 9 177.071 177.071 177.159 -0.088 18710 4224 1 15 . 1 1 9 9 GLU CA C 9 58.159 58.159 58.039 0.120 18710 4225 1 15 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.767 -0.679 18710 4226 1 15 . 1 1 9 9 GLU H H 9 9.217 9.217 8.631 0.586 18710 4227 1 15 . 1 1 10 10 ASN N N 10 115.995 115.995 115.458 0.537 18710 4228 1 15 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.469 -0.115 18710 4229 1 15 . 1 1 10 10 ASN C C 10 174.465 174.465 174.615 -0.150 18710 4230 1 15 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.343 -0.842 18710 4231 1 15 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.716 -0.644 18710 4232 1 15 . 1 1 10 10 ASN H H 10 9.445 9.445 8.522 0.923 18710 4233 1 15 . 1 1 11 11 TYR N N 11 122.981 122.981 119.013 3.968 18710 4234 1 15 . 1 1 11 11 TYR HA H 11 4.108 4.108 5.019 -0.911 18710 4235 1 15 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.383 3.013 18710 4236 1 15 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.314 0.986 18710 4237 1 15 . 1 1 11 11 TYR H H 11 7.533 7.533 8.032 -0.499 18710 4238 1 15 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.147 0.261 18710 4239 1 15 . 1 1 12 12 PRO C C 12 176.771 176.771 177.785 -1.014 18710 4240 1 15 . 1 1 12 12 PRO CA C 12 62.008 62.008 62.437 -0.429 18710 4241 1 15 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.185 -1.867 18710 4242 1 15 . 1 1 13 13 VAL N N 13 124.171 124.171 116.425 7.746 18710 4243 1 15 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.885 -0.101 18710 4244 1 15 . 1 1 13 13 VAL C C 13 178.748 178.748 177.633 1.115 18710 4245 1 15 . 1 1 13 13 VAL CA C 13 65.650 65.650 64.954 0.696 18710 4246 1 15 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.612 -0.147 18710 4247 1 15 . 1 1 13 13 VAL H H 13 8.195 8.195 8.299 -0.104 18710 4248 1 15 . 1 1 14 14 SER N N 14 118.320 118.320 115.978 2.342 18710 4249 1 15 . 1 1 14 14 SER HA H 14 4.092 4.092 4.157 -0.065 18710 4250 1 15 . 1 1 14 14 SER C C 14 177.862 177.862 176.814 1.048 18710 4251 1 15 . 1 1 14 14 SER CA C 14 61.300 61.300 61.815 -0.515 18710 4252 1 15 . 1 1 14 14 SER CB C 14 61.302 61.302 62.626 -1.324 18710 4253 1 15 . 1 1 14 14 SER H H 14 8.577 8.577 8.295 0.282 18710 4254 1 15 . 1 1 15 15 LYS N N 15 121.997 121.997 119.277 2.720 18710 4255 1 15 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.254 -0.251 18710 4256 1 15 . 1 1 15 15 LYS C C 15 178.744 178.744 178.017 0.727 18710 4257 1 15 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.866 0.844 18710 4258 1 15 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.541 -1.154 18710 4259 1 15 . 1 1 15 15 LYS H H 15 7.886 7.886 7.753 0.133 18710 4260 1 15 . 1 1 16 16 CYS N N 16 115.824 115.824 119.802 -3.978 18710 4261 1 15 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.333 0.367 18710 4262 1 15 . 1 1 16 16 CYS C C 16 175.843 175.843 176.275 -0.432 18710 4263 1 15 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.701 -2.649 18710 4264 1 15 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.533 14.880 18710 4265 1 15 . 1 1 16 16 CYS H H 16 7.848 7.848 8.239 -0.391 18710 4266 1 15 . 1 1 17 17 GLN N N 17 115.165 115.165 117.329 -2.164 18710 4267 1 15 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.074 0.078 18710 4268 1 15 . 1 1 17 17 GLN C C 17 175.310 175.310 176.129 -0.819 18710 4269 1 15 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.516 -1.266 18710 4270 1 15 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.862 -0.206 18710 4271 1 15 . 1 1 17 17 GLN H H 17 7.398 7.398 7.770 -0.372 18710 4272 1 15 . 1 1 18 18 LEU N N 18 121.702 121.702 120.101 1.601 18710 4273 1 15 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.590 -0.107 18710 4274 1 15 . 1 1 18 18 LEU C C 18 176.211 176.211 176.317 -0.106 18710 4275 1 15 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.523 -0.154 18710 4276 1 15 . 1 1 18 18 LEU CB C 18 42.178 42.178 43.619 -1.441 18710 4277 1 15 . 1 1 18 18 LEU H H 18 7.354 7.354 8.067 -0.713 18710 4278 1 15 . 1 1 19 19 ALA N N 19 128.501 128.501 128.275 0.226 18710 4279 1 15 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.897 0.178 18710 4280 1 15 . 1 1 19 19 ALA C C 19 179.107 179.107 177.872 1.235 18710 4281 1 15 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.738 -0.840 18710 4282 1 15 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.801 -0.802 18710 4283 1 15 . 1 1 19 19 ALA H H 19 8.735 8.735 8.818 -0.083 18710 4284 1 15 . 1 1 20 20 ASN N N 20 116.786 116.786 113.286 3.500 18710 4285 1 15 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.559 0.019 18710 4286 1 15 . 1 1 20 20 ASN C C 20 174.900 174.900 176.598 -1.698 18710 4287 1 15 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.660 0.478 18710 4288 1 15 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.861 1.462 18710 4289 1 15 . 1 1 20 20 ASN H H 20 9.284 9.284 8.103 1.181 18710 4290 1 15 . 1 1 21 21 GLN N N 21 123.178 123.178 121.315 1.863 18710 4291 1 15 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.095 -0.318 18710 4292 1 15 . 1 1 21 21 GLN C C 21 176.327 176.327 177.383 -1.056 18710 4293 1 15 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.629 0.840 18710 4294 1 15 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.730 0.708 18710 4295 1 15 . 1 1 21 21 GLN H H 21 7.696 7.696 8.614 -0.918 18710 4296 1 15 . 1 1 22 22 CYS N N 22 119.327 119.327 118.960 0.367 18710 4297 1 15 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.294 -0.040 18710 4298 1 15 . 1 1 22 22 CYS C C 22 175.955 175.955 177.239 -1.284 18710 4299 1 15 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.562 -5.170 18710 4300 1 15 . 1 1 22 22 CYS CB C 22 38.574 38.574 25.887 12.688 18710 4301 1 15 . 1 1 22 22 CYS H H 22 8.495 8.495 7.897 0.598 18710 4302 1 15 . 1 1 23 23 ASN N N 23 119.489 119.489 118.327 1.162 18710 4303 1 15 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.425 -0.660 18710 4304 1 15 . 1 1 23 23 ASN C C 23 175.773 175.773 177.607 -1.834 18710 4305 1 15 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.351 1.514 18710 4306 1 15 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.229 2.032 18710 4307 1 15 . 1 1 23 23 ASN H H 23 8.224 8.224 8.708 -0.484 18710 4308 1 15 . 1 1 24 24 TYR N N 24 118.459 118.459 120.960 -2.501 18710 4309 1 15 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.114 -0.288 18710 4310 1 15 . 1 1 24 24 TYR C C 24 178.310 178.310 178.227 0.083 18710 4311 1 15 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.025 -0.285 18710 4312 1 15 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.048 0.522 18710 4313 1 15 . 1 1 24 24 TYR H H 24 8.296 8.296 7.773 0.523 18710 4314 1 15 . 1 1 25 25 ASP N N 25 119.944 119.944 119.588 0.356 18710 4315 1 15 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.437 0.167 18710 4316 1 15 . 1 1 25 25 ASP C C 25 179.719 179.719 179.129 0.590 18710 4317 1 15 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.277 0.327 18710 4318 1 15 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.203 0.181 18710 4319 1 15 . 1 1 25 25 ASP H H 25 9.105 9.105 8.527 0.578 18710 4320 1 15 . 1 1 26 26 CYS N N 26 120.503 120.503 119.496 1.007 18710 4321 1 15 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.525 -0.448 18710 4322 1 15 . 1 1 26 26 CYS C C 26 177.789 177.789 177.874 -0.085 18710 4323 1 15 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.482 -1.954 18710 4324 1 15 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.541 10.099 18710 4325 1 15 . 1 1 26 26 CYS H H 26 9.403 9.403 9.229 0.174 18710 4326 1 15 . 1 1 27 27 LYS N N 27 119.866 119.866 120.267 -0.401 18710 4327 1 15 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.181 -0.178 18710 4328 1 15 . 1 1 27 27 LYS C C 27 177.792 177.792 179.013 -1.221 18710 4329 1 15 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.301 0.409 18710 4330 1 15 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.573 -0.371 18710 4331 1 15 . 1 1 27 27 LYS H H 27 7.652 7.652 8.455 -0.803 18710 4332 1 15 . 1 1 28 28 LEU N N 28 119.921 119.921 119.592 0.329 18710 4333 1 15 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.941 0.080 18710 4334 1 15 . 1 1 28 28 LEU C C 28 178.369 178.369 177.654 0.715 18710 4335 1 15 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.923 0.578 18710 4336 1 15 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.989 0.282 18710 4337 1 15 . 1 1 28 28 LEU H H 28 8.129 8.129 8.266 -0.137 18710 4338 1 15 . 1 1 29 29 ASP N N 29 117.215 117.215 117.482 -0.267 18710 4339 1 15 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.457 -0.074 18710 4340 1 15 . 1 1 29 29 ASP C C 29 178.274 178.274 176.948 1.326 18710 4341 1 15 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.052 0.024 18710 4342 1 15 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.175 -0.814 18710 4343 1 15 . 1 1 29 29 ASP H H 29 9.053 9.053 8.382 0.671 18710 4344 1 15 . 1 1 30 30 LYS N N 30 111.912 111.912 115.242 -3.330 18710 4345 1 15 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.430 0.015 18710 4346 1 15 . 1 1 30 30 LYS C C 30 176.629 176.629 176.318 0.311 18710 4347 1 15 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.917 -1.938 18710 4348 1 15 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.558 -1.880 18710 4349 1 15 . 1 1 30 30 LYS H H 30 6.601 6.601 7.527 -0.926 18710 4350 1 15 . 1 1 31 31 HIS N N 31 112.584 112.584 115.137 -2.553 18710 4351 1 15 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.407 0.153 18710 4352 1 15 . 1 1 31 31 HIS C C 31 174.202 174.202 174.446 -0.244 18710 4353 1 15 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.707 -0.573 18710 4354 1 15 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.192 -0.581 18710 4355 1 15 . 1 1 31 31 HIS H H 31 6.937 6.937 7.720 -0.783 18710 4356 1 15 . 1 1 32 32 ALA N N 32 120.390 120.390 122.346 -1.956 18710 4357 1 15 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.184 -0.131 18710 4358 1 15 . 1 1 32 32 ALA C C 32 175.340 175.340 176.609 -1.269 18710 4359 1 15 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.747 -1.139 18710 4360 1 15 . 1 1 32 32 ALA CB C 32 18.912 18.912 20.820 -1.908 18710 4361 1 15 . 1 1 32 32 ALA H H 32 7.639 7.639 8.084 -0.445 18710 4362 1 15 . 1 1 33 33 ARG N N 33 116.855 116.855 117.033 -0.178 18710 4363 1 15 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.600 -0.509 18710 4364 1 15 . 1 1 33 33 ARG C C 33 176.630 176.630 177.287 -0.657 18710 4365 1 15 . 1 1 33 33 ARG CA C 33 57.938 57.938 57.913 0.025 18710 4366 1 15 . 1 1 33 33 ARG CB C 33 30.555 30.555 32.078 -1.524 18710 4367 1 15 . 1 1 33 33 ARG H H 33 8.270 8.270 8.272 -0.002 18710 4368 1 15 . 1 1 34 34 SER N N 34 109.872 109.872 112.339 -2.467 18710 4369 1 15 . 1 1 34 34 SER HA H 34 4.563 4.563 4.506 0.057 18710 4370 1 15 . 1 1 34 34 SER C C 34 173.047 173.047 174.604 -1.557 18710 4371 1 15 . 1 1 34 34 SER CA C 34 57.747 57.747 58.126 -0.379 18710 4372 1 15 . 1 1 34 34 SER CB C 34 65.477 65.477 64.904 0.573 18710 4373 1 15 . 1 1 34 34 SER H H 34 8.073 8.073 7.730 0.343 18710 4374 1 15 . 1 1 35 35 GLY N N 35 107.697 107.697 111.514 -3.817 18710 4375 1 15 . 1 1 35 35 GLY C C 35 170.741 170.741 174.400 -3.659 18710 4376 1 15 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.397 0.521 18710 4377 1 15 . 1 1 35 35 GLY H H 35 8.869 8.869 8.310 0.559 18710 4378 1 15 . 1 1 36 36 GLU N N 36 118.971 118.971 119.494 -0.523 18710 4379 1 15 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.480 -0.328 18710 4380 1 15 . 1 1 36 36 GLU C C 36 173.995 173.995 176.096 -2.101 18710 4381 1 15 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.258 0.233 18710 4382 1 15 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.353 -0.079 18710 4383 1 15 . 1 1 36 36 GLU H H 36 8.226 8.226 7.800 0.426 18710 4384 1 15 . 1 1 37 37 CYS N N 37 120.679 120.679 120.465 0.214 18710 4385 1 15 . 1 1 37 37 CYS HA H 37 6.114 6.114 4.923 1.191 18710 4386 1 15 . 1 1 37 37 CYS C C 37 173.692 173.692 174.550 -0.858 18710 4387 1 15 . 1 1 37 37 CYS CA C 37 56.316 56.316 59.007 -2.691 18710 4388 1 15 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.234 17.704 18710 4389 1 15 . 1 1 37 37 CYS H H 37 8.851 8.851 8.594 0.257 18710 4390 1 15 . 1 1 38 38 PHE N N 38 120.484 120.484 119.343 1.141 18710 4391 1 15 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.715 -0.040 18710 4392 1 15 . 1 1 38 38 PHE C C 38 175.480 175.480 173.866 1.614 18710 4393 1 15 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.537 0.201 18710 4394 1 15 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.937 0.843 18710 4395 1 15 . 1 1 38 38 PHE H H 38 9.072 9.072 8.313 0.759 18710 4396 1 15 . 1 1 39 39 TYR N N 39 122.666 122.666 119.804 2.862 18710 4397 1 15 . 1 1 39 39 TYR HA H 39 4.788 4.788 5.068 -0.280 18710 4398 1 15 . 1 1 39 39 TYR C C 39 176.738 176.738 175.795 0.943 18710 4399 1 15 . 1 1 39 39 TYR CA C 39 58.938 58.938 57.698 1.240 18710 4400 1 15 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.462 0.798 18710 4401 1 15 . 1 1 39 39 TYR H H 39 9.002 9.002 8.662 0.340 18710 4402 1 15 . 1 1 40 40 ASP N N 40 123.525 123.525 125.138 -1.613 18710 4403 1 15 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.865 -0.177 18710 4404 1 15 . 1 1 40 40 ASP C C 40 178.719 178.719 177.532 1.187 18710 4405 1 15 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.716 -0.486 18710 4406 1 15 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.915 -0.951 18710 4407 1 15 . 1 1 40 40 ASP H H 40 8.707 8.707 8.165 0.542 18710 4408 1 15 . 1 1 41 41 GLU N N 41 118.054 118.054 119.837 -1.783 18710 4409 1 15 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.102 0.047 18710 4410 1 15 . 1 1 41 41 GLU C C 41 177.487 177.487 176.859 0.628 18710 4411 1 15 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.057 -0.137 18710 4412 1 15 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.578 -0.925 18710 4413 1 15 . 1 1 41 41 GLU H H 41 9.098 9.098 8.851 0.247 18710 4414 1 15 . 1 1 42 42 LYS N N 42 120.287 120.287 117.266 3.021 18710 4415 1 15 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.442 -0.071 18710 4416 1 15 . 1 1 42 42 LYS C C 42 175.319 175.319 175.551 -0.232 18710 4417 1 15 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.665 -0.278 18710 4418 1 15 . 1 1 42 42 LYS CB C 42 31.935 31.935 31.869 0.066 18710 4419 1 15 . 1 1 42 42 LYS H H 42 8.104 8.104 7.989 0.115 18710 4420 1 15 . 1 1 43 43 ARG N N 43 113.150 113.150 116.216 -3.066 18710 4421 1 15 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.155 -0.581 18710 4422 1 15 . 1 1 43 43 ARG C C 43 174.823 174.823 174.689 0.134 18710 4423 1 15 . 1 1 43 43 ARG CA C 43 57.119 57.119 56.996 0.123 18710 4424 1 15 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.391 -2.807 18710 4425 1 15 . 1 1 43 43 ARG H H 43 8.305 8.305 7.720 0.585 18710 4426 1 15 . 1 1 44 44 ASN N N 44 118.284 118.284 115.380 2.904 18710 4427 1 15 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.753 0.201 18710 4428 1 15 . 1 1 44 44 ASN C C 44 174.806 174.806 174.859 -0.053 18710 4429 1 15 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.130 0.523 18710 4430 1 15 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.443 -0.362 18710 4431 1 15 . 1 1 44 44 ASN H H 44 8.771 8.771 7.826 0.945 18710 4432 1 15 . 1 1 45 45 LEU N N 45 126.852 126.852 122.914 3.938 18710 4433 1 15 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.466 -0.426 18710 4434 1 15 . 1 1 45 45 LEU C C 45 175.554 175.554 176.113 -0.559 18710 4435 1 15 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.221 0.809 18710 4436 1 15 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.636 2.219 18710 4437 1 15 . 1 1 45 45 LEU H H 45 8.740 8.740 8.513 0.227 18710 4438 1 15 . 1 1 46 46 GLN N N 46 120.892 120.892 121.541 -0.649 18710 4439 1 15 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.515 0.125 18710 4440 1 15 . 1 1 46 46 GLN C C 46 174.603 174.603 175.015 -0.412 18710 4441 1 15 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.677 0.120 18710 4442 1 15 . 1 1 46 46 GLN CB C 46 32.400 32.400 31.214 1.186 18710 4443 1 15 . 1 1 46 46 GLN H H 46 8.462 8.462 8.128 0.334 18710 4444 1 15 . 1 1 47 47 CYS N N 47 122.189 122.189 124.406 -2.217 18710 4445 1 15 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.251 0.503 18710 4446 1 15 . 1 1 47 47 CYS C C 47 171.892 171.892 174.396 -2.504 18710 4447 1 15 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.914 -4.903 18710 4448 1 15 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.532 12.531 18710 4449 1 15 . 1 1 47 47 CYS H H 47 9.292 9.292 8.951 0.341 18710 4450 1 15 . 1 1 48 48 ILE N N 48 129.091 129.091 126.116 2.975 18710 4451 1 15 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.724 -0.454 18710 4452 1 15 . 1 1 48 48 ILE C C 48 175.922 175.922 175.509 0.413 18710 4453 1 15 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.055 0.276 18710 4454 1 15 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.640 -1.677 18710 4455 1 15 . 1 1 48 48 ILE H H 48 8.724 8.724 9.086 -0.362 18710 4456 1 15 . 1 1 49 49 CYS N N 49 126.727 126.727 128.781 -2.054 18710 4457 1 15 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.270 0.958 18710 4458 1 15 . 1 1 49 49 CYS C C 49 172.511 172.511 173.442 -0.931 18710 4459 1 15 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.713 -8.123 18710 4460 1 15 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.692 8.842 18710 4461 1 15 . 1 1 49 49 CYS H H 49 8.457 8.457 8.853 -0.396 18710 4462 1 15 . 1 1 50 50 ASP N N 50 122.574 122.574 125.253 -2.679 18710 4463 1 15 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.717 0.793 18710 4464 1 15 . 1 1 50 50 ASP C C 50 176.217 176.217 174.768 1.449 18710 4465 1 15 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.566 -0.483 18710 4466 1 15 . 1 1 50 50 ASP CB C 50 42.870 42.870 42.140 0.730 18710 4467 1 15 . 1 1 50 50 ASP H H 50 8.896 8.896 8.494 0.402 18710 4468 1 15 . 1 1 51 51 TYR N N 51 125.641 125.641 122.086 3.555 18710 4469 1 15 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.864 -0.748 18710 4470 1 15 . 1 1 51 51 TYR C C 51 175.491 175.491 175.275 0.216 18710 4471 1 15 . 1 1 51 51 TYR CA C 51 59.295 59.295 56.523 2.772 18710 4472 1 15 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.913 1.627 18710 4473 1 15 . 1 1 51 51 TYR H H 51 9.819 9.819 7.905 1.914 18710 4474 1 15 . 1 1 52 52 CYS N N 52 121.040 121.040 118.190 2.850 18710 4475 1 15 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.564 -0.192 18710 4476 1 15 . 1 1 52 52 CYS C C 52 173.129 173.129 173.972 -0.843 18710 4477 1 15 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.547 -3.522 18710 4478 1 15 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.384 13.857 18710 4479 1 15 . 1 1 52 52 CYS H H 52 9.700 9.700 7.867 1.833 18710 4480 1 15 . 1 1 53 53 GLU N N 53 121.628 121.628 121.733 -0.105 18710 4481 1 15 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.406 -0.141 18710 4482 1 15 . 1 1 53 53 GLU C C 53 174.253 174.253 176.096 -1.843 18710 4483 1 15 . 1 1 53 53 GLU CA C 53 55.200 55.200 55.792 -0.592 18710 4484 1 15 . 1 1 53 53 GLU CB C 53 31.198 31.198 27.347 3.851 18710 4485 1 15 . 1 1 53 53 GLU H H 53 8.466 8.466 8.695 -0.229 18710 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 49 2.907 -0.481 2.897 18710 2 1 1 "Average Difference" HA 52 0.420 0.009 0.424 18710 3 1 1 "Average Difference" C 50 1.187 0.242 1.174 18710 4 1 1 "Average Difference" CA 51 1.965 0.510 1.917 18710 5 1 1 "Average Difference" CB 50 5.598 -2.076 5.252 18710 6 1 1 "Average Difference" HN 49 0.680 -0.208 0.654 18710 7 1 2 "Average Difference" N 49 2.686 -0.402 2.683 18710 8 1 2 "Average Difference" HA 52 0.406 0.016 0.410 18710 9 1 2 "Average Difference" C 50 1.197 0.250 1.182 18710 10 1 2 "Average Difference" CA 51 1.907 0.478 1.865 18710 11 1 2 "Average Difference" CB 50 5.538 -2.047 5.198 18710 12 1 2 "Average Difference" HN 49 0.700 -0.236 0.665 18710 13 1 3 "Average Difference" N 49 2.685 -0.450 2.674 18710 14 1 3 "Average Difference" HA 52 0.409 0.011 0.412 18710 15 1 3 "Average Difference" C 50 1.212 0.225 1.203 18710 16 1 3 "Average Difference" CA 51 1.901 0.446 1.866 18710 17 1 3 "Average Difference" CB 50 5.526 -2.045 5.186 18710 18 1 3 "Average Difference" HN 49 0.706 -0.249 0.667 18710 19 1 4 "Average Difference" N 49 2.773 -0.451 2.764 18710 20 1 4 "Average Difference" HA 52 0.417 0.001 0.421 18710 21 1 4 "Average Difference" C 50 1.207 0.278 1.187 18710 22 1 4 "Average Difference" CA 51 1.928 0.465 1.890 18710 23 1 4 "Average Difference" CB 50 5.533 -2.018 5.204 18710 24 1 4 "Average Difference" HN 49 0.689 -0.244 0.651 18710 25 1 5 "Average Difference" N 49 2.964 -0.494 2.953 18710 26 1 5 "Average Difference" HA 52 0.426 -0.006 0.430 18710 27 1 5 "Average Difference" C 50 1.192 0.221 1.183 18710 28 1 5 "Average Difference" CA 51 1.989 0.483 1.949 18710 29 1 5 "Average Difference" CB 50 5.524 -2.021 5.193 18710 30 1 5 "Average Difference" HN 49 0.663 -0.230 0.628 18710 31 1 6 "Average Difference" N 49 3.003 -0.525 2.988 18710 32 1 6 "Average Difference" HA 52 0.414 0.005 0.418 18710 33 1 6 "Average Difference" C 50 1.239 0.236 1.229 18710 34 1 6 "Average Difference" CA 51 1.929 0.491 1.884 18710 35 1 6 "Average Difference" CB 50 5.578 -2.031 5.247 18710 36 1 6 "Average Difference" HN 49 0.695 -0.228 0.663 18710 37 1 7 "Average Difference" N 49 3.054 -0.571 3.031 18710 38 1 7 "Average Difference" HA 52 0.421 -0.002 0.425 18710 39 1 7 "Average Difference" C 50 1.189 0.270 1.169 18710 40 1 7 "Average Difference" CA 51 1.932 0.514 1.880 18710 41 1 7 "Average Difference" CB 50 5.618 -2.079 5.272 18710 42 1 7 "Average Difference" HN 49 0.688 -0.234 0.653 18710 43 1 8 "Average Difference" N 49 2.729 -0.450 2.720 18710 44 1 8 "Average Difference" HA 52 0.415 0.008 0.419 18710 45 1 8 "Average Difference" C 50 1.249 0.265 1.233 18710 46 1 8 "Average Difference" CA 51 1.922 0.477 1.880 18710 47 1 8 "Average Difference" CB 50 5.512 -1.980 5.197 18710 48 1 8 "Average Difference" HN 49 0.691 -0.239 0.655 18710 49 1 9 "Average Difference" N 49 2.740 -0.448 2.731 18710 50 1 9 "Average Difference" HA 52 0.417 0.002 0.421 18710 51 1 9 "Average Difference" C 50 1.178 0.264 1.159 18710 52 1 9 "Average Difference" CA 51 1.960 0.470 1.922 18710 53 1 9 "Average Difference" CB 50 5.495 -2.013 5.165 18710 54 1 9 "Average Difference" HN 49 0.687 -0.248 0.647 18710 55 1 10 "Average Difference" N 49 2.702 -0.442 2.693 18710 56 1 10 "Average Difference" HA 52 0.402 0.016 0.406 18710 57 1 10 "Average Difference" C 50 1.201 0.232 1.190 18710 58 1 10 "Average Difference" CA 51 1.907 0.456 1.870 18710 59 1 10 "Average Difference" CB 50 5.510 -2.031 5.174 18710 60 1 10 "Average Difference" HN 49 0.703 -0.231 0.671 18710 61 1 11 "Average Difference" N 49 2.884 -0.447 2.879 18710 62 1 11 "Average Difference" HA 52 0.416 0.007 0.420 18710 63 1 11 "Average Difference" C 50 1.247 0.254 1.233 18710 64 1 11 "Average Difference" CA 51 1.940 0.471 1.901 18710 65 1 11 "Average Difference" CB 50 5.547 -2.076 5.197 18710 66 1 11 "Average Difference" HN 49 0.707 -0.237 0.673 18710 67 1 12 "Average Difference" N 49 2.682 -0.328 2.689 18710 68 1 12 "Average Difference" HA 52 0.404 0.000 0.408 18710 69 1 12 "Average Difference" C 50 1.205 0.233 1.194 18710 70 1 12 "Average Difference" CA 51 1.881 0.492 1.833 18710 71 1 12 "Average Difference" CB 50 5.501 -2.048 5.157 18710 72 1 12 "Average Difference" HN 49 0.708 -0.241 0.673 18710 73 1 13 "Average Difference" N 49 2.802 -0.439 2.796 18710 74 1 13 "Average Difference" HA 52 0.424 0.010 0.428 18710 75 1 13 "Average Difference" C 50 1.196 0.258 1.180 18710 76 1 13 "Average Difference" CA 51 1.939 0.475 1.898 18710 77 1 13 "Average Difference" CB 50 5.513 -2.021 5.182 18710 78 1 13 "Average Difference" HN 49 0.678 -0.216 0.649 18710 79 1 14 "Average Difference" N 49 2.708 -0.513 2.687 18710 80 1 14 "Average Difference" HA 52 0.413 -0.004 0.417 18710 81 1 14 "Average Difference" C 50 1.166 0.245 1.151 18710 82 1 14 "Average Difference" CA 51 1.937 0.461 1.900 18710 83 1 14 "Average Difference" CB 50 5.601 -2.081 5.253 18710 84 1 14 "Average Difference" HN 49 0.703 -0.254 0.662 18710 85 1 15 "Average Difference" N 49 2.844 -0.473 2.834 18710 86 1 15 "Average Difference" HA 52 0.446 0.005 0.451 18710 87 1 15 "Average Difference" C 50 1.172 0.250 1.156 18710 88 1 15 "Average Difference" CA 51 2.002 0.488 1.961 18710 89 1 15 "Average Difference" CB 50 5.493 -2.002 5.167 18710 90 1 15 "Average Difference" HN 49 0.664 -0.211 0.637 18710 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 18710 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 LYS HA H 3 4.246 4.246 4.119 0.127 18710 2 1 . 1 1 3 3 LYS C C 3 176.970 176.970 177.585 -0.615 18710 3 1 . 1 1 3 3 LYS CA C 3 57.314 57.314 58.582 -1.268 18710 4 1 . 1 1 3 3 LYS CB C 3 32.511 32.511 32.477 0.034 18710 5 1 . 1 1 4 4 CYS N N 4 117.663 117.663 115.242 2.421 18710 6 1 . 1 1 4 4 CYS HA H 4 4.614 4.614 4.447 0.167 18710 7 1 . 1 1 4 4 CYS C C 4 174.336 174.336 175.427 -1.091 18710 8 1 . 1 1 4 4 CYS CA C 4 57.281 57.281 59.329 -2.048 18710 9 1 . 1 1 4 4 CYS CB C 4 41.329 41.329 26.391 14.938 18710 10 1 . 1 1 4 4 CYS H H 4 8.552 8.552 8.341 0.211 18710 11 1 . 1 1 5 5 LYS N N 5 118.468 118.468 121.090 -2.622 18710 12 1 . 1 1 5 5 LYS HA H 5 5.519 5.519 4.544 0.975 18710 13 1 . 1 1 5 5 LYS C C 5 176.806 176.806 175.834 0.972 18710 14 1 . 1 1 5 5 LYS CA C 5 54.755 54.755 55.390 -0.635 18710 15 1 . 1 1 5 5 LYS CB C 5 34.548 34.548 31.122 3.426 18710 16 1 . 1 1 5 5 LYS H H 5 8.067 8.067 7.683 0.384 18710 17 1 . 1 1 6 6 LYS N N 6 121.028 121.028 125.357 -4.329 18710 18 1 . 1 1 6 6 LYS HA H 6 4.716 4.716 4.623 0.093 18710 19 1 . 1 1 6 6 LYS C C 6 176.149 176.149 174.414 1.735 18710 20 1 . 1 1 6 6 LYS CA C 6 55.267 55.267 55.025 0.242 18710 21 1 . 1 1 6 6 LYS CB C 6 36.779 36.779 35.986 0.793 18710 22 1 . 1 1 6 6 LYS H H 6 9.043 9.043 8.715 0.328 18710 23 1 . 1 1 7 7 VAL N N 7 128.686 128.686 123.010 5.676 18710 24 1 . 1 1 7 7 VAL HA H 7 3.897 3.897 4.309 -0.412 18710 25 1 . 1 1 7 7 VAL C C 7 175.013 175.013 175.017 -0.004 18710 26 1 . 1 1 7 7 VAL CA C 7 63.816 63.816 60.468 3.348 18710 27 1 . 1 1 7 7 VAL CB C 7 33.142 33.142 33.482 -0.340 18710 28 1 . 1 1 7 7 VAL H H 7 8.991 8.991 8.485 0.506 18710 29 1 . 1 1 8 8 TYR N N 8 129.909 129.909 125.924 3.985 18710 30 1 . 1 1 8 8 TYR HA H 8 4.371 4.371 4.884 -0.513 18710 31 1 . 1 1 8 8 TYR C C 8 175.018 175.018 174.514 0.504 18710 32 1 . 1 1 8 8 TYR CA C 8 55.387 55.387 56.762 -1.375 18710 33 1 . 1 1 8 8 TYR CB C 8 35.820 35.820 39.823 -4.003 18710 34 1 . 1 1 8 8 TYR H H 8 9.265 9.265 7.909 1.356 18710 35 1 . 1 1 9 9 GLU N N 9 131.262 131.262 125.134 6.128 18710 36 1 . 1 1 9 9 GLU HA H 9 4.111 4.111 3.802 0.309 18710 37 1 . 1 1 9 9 GLU C C 9 177.071 177.071 177.156 -0.085 18710 38 1 . 1 1 9 9 GLU CA C 9 58.159 58.159 57.444 0.715 18710 39 1 . 1 1 9 9 GLU CB C 9 29.088 29.088 29.876 -0.788 18710 40 1 . 1 1 9 9 GLU H H 9 9.217 9.217 8.659 0.558 18710 41 1 . 1 1 10 10 ASN N N 10 115.995 115.995 115.414 0.581 18710 42 1 . 1 1 10 10 ASN HA H 10 4.354 4.354 4.455 -0.101 18710 43 1 . 1 1 10 10 ASN C C 10 174.465 174.465 174.589 -0.124 18710 44 1 . 1 1 10 10 ASN CA C 10 54.501 54.501 55.325 -0.824 18710 45 1 . 1 1 10 10 ASN CB C 10 37.072 37.072 37.698 -0.626 18710 46 1 . 1 1 10 10 ASN H H 10 9.445 9.445 8.514 0.931 18710 47 1 . 1 1 11 11 TYR N N 11 122.981 122.981 118.461 4.520 18710 48 1 . 1 1 11 11 TYR HA H 11 4.108 4.108 4.987 -0.879 18710 49 1 . 1 1 11 11 TYR CA C 11 57.395 57.395 54.291 3.105 18710 50 1 . 1 1 11 11 TYR CB C 11 39.300 39.300 38.214 1.086 18710 51 1 . 1 1 11 11 TYR H H 11 7.533 7.533 7.979 -0.446 18710 52 1 . 1 1 12 12 PRO HA H 12 4.408 4.408 4.181 0.227 18710 53 1 . 1 1 12 12 PRO C C 12 176.771 176.771 177.760 -0.989 18710 54 1 . 1 1 12 12 PRO CA C 12 62.008 62.008 62.041 -0.032 18710 55 1 . 1 1 12 12 PRO CB C 12 30.318 30.318 32.486 -2.168 18710 56 1 . 1 1 13 13 VAL N N 13 124.171 124.171 117.724 6.447 18710 57 1 . 1 1 13 13 VAL HA H 13 3.784 3.784 3.816 -0.032 18710 58 1 . 1 1 13 13 VAL C C 13 178.748 178.748 177.510 1.238 18710 59 1 . 1 1 13 13 VAL CA C 13 65.650 65.650 64.904 0.746 18710 60 1 . 1 1 13 13 VAL CB C 13 31.465 31.465 31.679 -0.214 18710 61 1 . 1 1 13 13 VAL H H 13 8.195 8.195 8.323 -0.128 18710 62 1 . 1 1 14 14 SER N N 14 118.320 118.320 115.701 2.619 18710 63 1 . 1 1 14 14 SER HA H 14 4.092 4.092 4.155 -0.063 18710 64 1 . 1 1 14 14 SER C C 14 177.862 177.862 176.654 1.208 18710 65 1 . 1 1 14 14 SER CA C 14 61.300 61.300 61.584 -0.284 18710 66 1 . 1 1 14 14 SER CB C 14 61.302 61.302 62.640 -1.338 18710 67 1 . 1 1 14 14 SER H H 14 8.577 8.577 8.224 0.353 18710 68 1 . 1 1 15 15 LYS N N 15 121.997 121.997 119.528 2.469 18710 69 1 . 1 1 15 15 LYS HA H 15 4.003 4.003 4.330 -0.327 18710 70 1 . 1 1 15 15 LYS C C 15 178.744 178.744 177.942 0.802 18710 71 1 . 1 1 15 15 LYS CA C 15 59.710 59.710 58.272 1.438 18710 72 1 . 1 1 15 15 LYS CB C 15 31.387 31.387 32.482 -1.095 18710 73 1 . 1 1 15 15 LYS H H 15 7.886 7.886 7.749 0.137 18710 74 1 . 1 1 16 16 CYS N N 16 115.824 115.824 119.806 -3.982 18710 75 1 . 1 1 16 16 CYS HA H 16 4.700 4.700 4.425 0.275 18710 76 1 . 1 1 16 16 CYS C C 16 175.843 175.843 176.320 -0.477 18710 77 1 . 1 1 16 16 CYS CA C 16 58.052 58.052 60.557 -2.505 18710 78 1 . 1 1 16 16 CYS CB C 16 40.413 40.413 25.458 14.955 18710 79 1 . 1 1 16 16 CYS H H 16 7.848 7.848 8.216 -0.368 18710 80 1 . 1 1 17 17 GLN N N 17 115.165 115.165 117.522 -2.357 18710 81 1 . 1 1 17 17 GLN HA H 17 4.152 4.152 4.079 0.073 18710 82 1 . 1 1 17 17 GLN C C 17 175.310 175.310 176.444 -1.134 18710 83 1 . 1 1 17 17 GLN CA C 17 56.249 56.249 57.647 -1.398 18710 84 1 . 1 1 17 17 GLN CB C 17 28.656 28.656 28.856 -0.200 18710 85 1 . 1 1 17 17 GLN H H 17 7.398 7.398 7.898 -0.500 18710 86 1 . 1 1 18 18 LEU N N 18 121.702 121.702 119.613 2.089 18710 87 1 . 1 1 18 18 LEU HA H 18 4.483 4.483 4.586 -0.103 18710 88 1 . 1 1 18 18 LEU C C 18 176.211 176.211 176.388 -0.177 18710 89 1 . 1 1 18 18 LEU CA C 18 53.369 53.369 53.353 0.016 18710 90 1 . 1 1 18 18 LEU CB C 18 42.178 42.178 42.963 -0.785 18710 91 1 . 1 1 18 18 LEU H H 18 7.354 7.354 8.088 -0.734 18710 92 1 . 1 1 19 19 ALA N N 19 128.501 128.501 128.119 0.382 18710 93 1 . 1 1 19 19 ALA HA H 19 4.075 4.075 3.900 0.175 18710 94 1 . 1 1 19 19 ALA C C 19 179.107 179.107 177.846 1.261 18710 95 1 . 1 1 19 19 ALA CA C 19 53.898 53.898 54.734 -0.836 18710 96 1 . 1 1 19 19 ALA CB C 19 17.999 17.999 18.751 -0.752 18710 97 1 . 1 1 19 19 ALA H H 19 8.735 8.735 8.885 -0.150 18710 98 1 . 1 1 20 20 ASN N N 20 116.786 116.786 113.823 2.963 18710 99 1 . 1 1 20 20 ASN HA H 20 4.578 4.578 4.583 -0.005 18710 100 1 . 1 1 20 20 ASN C C 20 174.900 174.900 176.871 -1.971 18710 101 1 . 1 1 20 20 ASN CA C 20 55.138 55.138 54.809 0.329 18710 102 1 . 1 1 20 20 ASN CB C 20 39.323 39.323 37.901 1.422 18710 103 1 . 1 1 20 20 ASN H H 20 9.284 9.284 8.017 1.267 18710 104 1 . 1 1 21 21 GLN N N 21 123.178 123.178 121.428 1.750 18710 105 1 . 1 1 21 21 GLN HA H 21 3.777 3.777 4.068 -0.291 18710 106 1 . 1 1 21 21 GLN C C 21 176.327 176.327 177.444 -1.117 18710 107 1 . 1 1 21 21 GLN CA C 21 59.469 59.469 58.693 0.776 18710 108 1 . 1 1 21 21 GLN CB C 21 29.438 29.438 28.663 0.775 18710 109 1 . 1 1 21 21 GLN H H 21 7.696 7.696 8.584 -0.888 18710 110 1 . 1 1 22 22 CYS N N 22 119.327 119.327 118.561 0.766 18710 111 1 . 1 1 22 22 CYS HA H 22 4.254 4.254 4.283 -0.029 18710 112 1 . 1 1 22 22 CYS C C 22 175.955 175.955 177.278 -1.323 18710 113 1 . 1 1 22 22 CYS CA C 22 58.392 58.392 63.234 -4.842 18710 114 1 . 1 1 22 22 CYS CB C 22 38.574 38.574 26.056 12.518 18710 115 1 . 1 1 22 22 CYS H H 22 8.495 8.495 7.869 0.626 18710 116 1 . 1 1 23 23 ASN N N 23 119.489 119.489 117.918 1.571 18710 117 1 . 1 1 23 23 ASN HA H 23 3.765 3.765 4.415 -0.650 18710 118 1 . 1 1 23 23 ASN C C 23 175.773 175.773 177.672 -1.899 18710 119 1 . 1 1 23 23 ASN CA C 23 57.865 57.865 56.323 1.542 18710 120 1 . 1 1 23 23 ASN CB C 23 39.261 39.261 37.342 1.919 18710 121 1 . 1 1 23 23 ASN H H 23 8.224 8.224 8.303 -0.079 18710 122 1 . 1 1 24 24 TYR N N 24 118.459 118.459 120.992 -2.533 18710 123 1 . 1 1 24 24 TYR HA H 24 3.826 3.826 4.116 -0.290 18710 124 1 . 1 1 24 24 TYR C C 24 178.310 178.310 178.251 0.059 18710 125 1 . 1 1 24 24 TYR CA C 24 61.740 61.740 62.026 -0.286 18710 126 1 . 1 1 24 24 TYR CB C 24 38.570 38.570 38.049 0.521 18710 127 1 . 1 1 24 24 TYR H H 24 8.296 8.296 7.838 0.458 18710 128 1 . 1 1 25 25 ASP N N 25 119.944 119.944 119.596 0.348 18710 129 1 . 1 1 25 25 ASP HA H 25 4.604 4.604 4.433 0.171 18710 130 1 . 1 1 25 25 ASP C C 25 179.719 179.719 179.114 0.605 18710 131 1 . 1 1 25 25 ASP CA C 25 57.604 57.604 57.312 0.292 18710 132 1 . 1 1 25 25 ASP CB C 25 40.384 40.384 40.245 0.138 18710 133 1 . 1 1 25 25 ASP H H 25 9.105 9.105 8.516 0.589 18710 134 1 . 1 1 26 26 CYS N N 26 120.503 120.503 119.497 1.006 18710 135 1 . 1 1 26 26 CYS HA H 26 4.077 4.077 4.494 -0.417 18710 136 1 . 1 1 26 26 CYS C C 26 177.789 177.789 177.884 -0.095 18710 137 1 . 1 1 26 26 CYS CA C 26 60.528 60.528 62.514 -1.986 18710 138 1 . 1 1 26 26 CYS CB C 26 36.640 36.640 26.589 10.051 18710 139 1 . 1 1 26 26 CYS H H 26 9.403 9.403 9.211 0.192 18710 140 1 . 1 1 27 27 LYS N N 27 119.866 119.866 120.171 -0.305 18710 141 1 . 1 1 27 27 LYS HA H 27 4.003 4.003 4.168 -0.165 18710 142 1 . 1 1 27 27 LYS C C 27 177.792 177.792 179.036 -1.244 18710 143 1 . 1 1 27 27 LYS CA C 27 59.710 59.710 59.310 0.399 18710 144 1 . 1 1 27 27 LYS CB C 27 32.202 32.202 32.556 -0.354 18710 145 1 . 1 1 27 27 LYS H H 27 7.652 7.652 8.429 -0.777 18710 146 1 . 1 1 28 28 LEU N N 28 119.921 119.921 119.566 0.355 18710 147 1 . 1 1 28 28 LEU HA H 28 4.021 4.021 3.938 0.083 18710 148 1 . 1 1 28 28 LEU C C 28 178.369 178.369 177.651 0.718 18710 149 1 . 1 1 28 28 LEU CA C 28 57.501 57.501 56.922 0.579 18710 150 1 . 1 1 28 28 LEU CB C 28 42.271 42.271 41.977 0.294 18710 151 1 . 1 1 28 28 LEU H H 28 8.129 8.129 8.276 -0.147 18710 152 1 . 1 1 29 29 ASP N N 29 117.215 117.215 117.528 -0.313 18710 153 1 . 1 1 29 29 ASP HA H 29 4.383 4.383 4.471 -0.088 18710 154 1 . 1 1 29 29 ASP C C 29 178.274 178.274 176.968 1.306 18710 155 1 . 1 1 29 29 ASP CA C 29 56.076 56.076 56.043 0.033 18710 156 1 . 1 1 29 29 ASP CB C 29 40.360 40.360 41.230 -0.870 18710 157 1 . 1 1 29 29 ASP H H 29 9.053 9.053 8.372 0.681 18710 158 1 . 1 1 30 30 LYS N N 30 111.912 111.912 115.309 -3.397 18710 159 1 . 1 1 30 30 LYS HA H 30 4.445 4.445 4.415 0.030 18710 160 1 . 1 1 30 30 LYS C C 30 176.629 176.629 176.296 0.333 18710 161 1 . 1 1 30 30 LYS CA C 30 52.979 52.979 54.905 -1.926 18710 162 1 . 1 1 30 30 LYS CB C 30 31.678 31.678 33.537 -1.859 18710 163 1 . 1 1 30 30 LYS H H 30 6.601 6.601 7.586 -0.985 18710 164 1 . 1 1 31 31 HIS N N 31 112.584 112.584 115.200 -2.616 18710 165 1 . 1 1 31 31 HIS HA H 31 4.560 4.560 4.378 0.182 18710 166 1 . 1 1 31 31 HIS C C 31 174.202 174.202 174.000 0.202 18710 167 1 . 1 1 31 31 HIS CA C 31 56.134 56.134 56.765 -0.632 18710 168 1 . 1 1 31 31 HIS CB C 31 25.610 25.610 26.174 -0.564 18710 169 1 . 1 1 31 31 HIS H H 31 6.937 6.937 7.715 -0.778 18710 170 1 . 1 1 32 32 ALA N N 32 120.390 120.390 121.887 -1.497 18710 171 1 . 1 1 32 32 ALA HA H 32 4.053 4.053 4.280 -0.227 18710 172 1 . 1 1 32 32 ALA C C 32 175.340 175.340 176.733 -1.393 18710 173 1 . 1 1 32 32 ALA CA C 32 50.608 50.608 51.759 -1.151 18710 174 1 . 1 1 32 32 ALA CB C 32 18.912 18.912 21.131 -2.219 18710 175 1 . 1 1 32 32 ALA H H 32 7.639 7.639 8.050 -0.411 18710 176 1 . 1 1 33 33 ARG N N 33 116.855 116.855 117.248 -0.393 18710 177 1 . 1 1 33 33 ARG HA H 33 4.091 4.091 4.572 -0.481 18710 178 1 . 1 1 33 33 ARG C C 33 176.630 176.630 177.650 -1.020 18710 179 1 . 1 1 33 33 ARG CA C 33 57.938 57.938 58.285 -0.347 18710 180 1 . 1 1 33 33 ARG CB C 33 30.555 30.555 31.892 -1.337 18710 181 1 . 1 1 33 33 ARG H H 33 8.270 8.270 8.189 0.081 18710 182 1 . 1 1 34 34 SER N N 34 109.872 109.872 112.430 -2.558 18710 183 1 . 1 1 34 34 SER HA H 34 4.563 4.563 4.545 0.018 18710 184 1 . 1 1 34 34 SER C C 34 173.047 173.047 174.177 -1.130 18710 185 1 . 1 1 34 34 SER CA C 34 57.747 57.747 57.739 0.008 18710 186 1 . 1 1 34 34 SER CB C 34 65.477 65.477 64.749 0.728 18710 187 1 . 1 1 34 34 SER H H 34 8.073 8.073 7.948 0.125 18710 188 1 . 1 1 35 35 GLY N N 35 107.697 107.697 111.605 -3.908 18710 189 1 . 1 1 35 35 GLY C C 35 170.741 170.741 174.430 -3.689 18710 190 1 . 1 1 35 35 GLY CA C 35 46.918 46.918 46.344 0.574 18710 191 1 . 1 1 35 35 GLY H H 35 8.869 8.869 8.315 0.554 18710 192 1 . 1 1 36 36 GLU N N 36 118.971 118.971 119.421 -0.450 18710 193 1 . 1 1 36 36 GLU HA H 36 4.152 4.152 4.429 -0.277 18710 194 1 . 1 1 36 36 GLU C C 36 173.995 173.995 176.120 -2.125 18710 195 1 . 1 1 36 36 GLU CA C 36 55.491 55.491 55.553 -0.062 18710 196 1 . 1 1 36 36 GLU CB C 36 32.274 32.274 32.180 0.094 18710 197 1 . 1 1 36 36 GLU H H 36 8.226 8.226 7.854 0.372 18710 198 1 . 1 1 37 37 CYS N N 37 120.679 120.679 120.576 0.103 18710 199 1 . 1 1 37 37 CYS HA H 37 6.114 6.114 5.073 1.041 18710 200 1 . 1 1 37 37 CYS C C 37 173.692 173.692 174.486 -0.794 18710 201 1 . 1 1 37 37 CYS CA C 37 56.316 56.316 58.620 -2.304 18710 202 1 . 1 1 37 37 CYS CB C 37 45.938 45.938 28.421 17.517 18710 203 1 . 1 1 37 37 CYS H H 37 8.851 8.851 8.551 0.300 18710 204 1 . 1 1 38 38 PHE N N 38 120.484 120.484 119.554 0.930 18710 205 1 . 1 1 38 38 PHE HA H 38 4.675 4.675 4.717 -0.042 18710 206 1 . 1 1 38 38 PHE C C 38 175.480 175.480 174.015 1.465 18710 207 1 . 1 1 38 38 PHE CA C 38 56.738 56.738 56.551 0.187 18710 208 1 . 1 1 38 38 PHE CB C 38 43.780 43.780 42.906 0.874 18710 209 1 . 1 1 38 38 PHE H H 38 9.072 9.072 8.380 0.692 18710 210 1 . 1 1 39 39 TYR N N 39 122.666 122.666 120.087 2.579 18710 211 1 . 1 1 39 39 TYR HA H 39 4.788 4.788 4.985 -0.197 18710 212 1 . 1 1 39 39 TYR C C 39 176.738 176.738 175.897 0.841 18710 213 1 . 1 1 39 39 TYR CA C 39 58.938 58.938 58.213 0.725 18710 214 1 . 1 1 39 39 TYR CB C 39 40.260 40.260 39.178 1.082 18710 215 1 . 1 1 39 39 TYR H H 39 9.002 9.002 8.769 0.233 18710 216 1 . 1 1 40 40 ASP N N 40 123.525 123.525 124.447 -0.922 18710 217 1 . 1 1 40 40 ASP HA H 40 4.688 4.688 4.825 -0.137 18710 218 1 . 1 1 40 40 ASP C C 40 178.719 178.719 177.346 1.373 18710 219 1 . 1 1 40 40 ASP CA C 40 52.230 52.230 52.480 -0.250 18710 220 1 . 1 1 40 40 ASP CB C 40 40.964 40.964 41.930 -0.966 18710 221 1 . 1 1 40 40 ASP H H 40 8.707 8.707 8.093 0.614 18710 222 1 . 1 1 41 41 GLU N N 41 118.054 118.054 120.110 -2.056 18710 223 1 . 1 1 41 41 GLU HA H 41 4.149 4.149 4.162 -0.013 18710 224 1 . 1 1 41 41 GLU C C 41 177.487 177.487 176.845 0.642 18710 225 1 . 1 1 41 41 GLU CA C 41 58.920 58.920 59.137 -0.217 18710 226 1 . 1 1 41 41 GLU CB C 41 28.653 28.653 29.514 -0.861 18710 227 1 . 1 1 41 41 GLU H H 41 9.098 9.098 8.900 0.198 18710 228 1 . 1 1 42 42 LYS N N 42 120.287 120.287 117.152 3.135 18710 229 1 . 1 1 42 42 LYS HA H 42 4.371 4.371 4.453 -0.082 18710 230 1 . 1 1 42 42 LYS C C 42 175.319 175.319 175.722 -0.403 18710 231 1 . 1 1 42 42 LYS CA C 42 55.387 55.387 55.604 -0.217 18710 232 1 . 1 1 42 42 LYS CB C 42 31.935 31.935 31.969 -0.034 18710 233 1 . 1 1 42 42 LYS H H 42 8.104 8.104 7.966 0.138 18710 234 1 . 1 1 43 43 ARG N N 43 113.150 113.150 116.287 -3.137 18710 235 1 . 1 1 43 43 ARG HA H 43 3.574 3.574 4.163 -0.589 18710 236 1 . 1 1 43 43 ARG C C 43 174.823 174.823 174.731 0.092 18710 237 1 . 1 1 43 43 ARG CA C 43 57.119 57.119 57.221 -0.102 18710 238 1 . 1 1 43 43 ARG CB C 43 25.584 25.584 28.428 -2.844 18710 239 1 . 1 1 43 43 ARG H H 43 8.305 8.305 7.721 0.584 18710 240 1 . 1 1 44 44 ASN N N 44 118.284 118.284 115.526 2.758 18710 241 1 . 1 1 44 44 ASN HA H 44 4.954 4.954 4.771 0.183 18710 242 1 . 1 1 44 44 ASN C C 44 174.806 174.806 174.816 -0.010 18710 243 1 . 1 1 44 44 ASN CA C 44 52.653 52.653 52.078 0.575 18710 244 1 . 1 1 44 44 ASN CB C 44 39.081 39.081 39.491 -0.410 18710 245 1 . 1 1 44 44 ASN H H 44 8.771 8.771 7.885 0.886 18710 246 1 . 1 1 45 45 LEU N N 45 126.852 126.852 123.307 3.545 18710 247 1 . 1 1 45 45 LEU HA H 45 4.040 4.040 4.313 -0.273 18710 248 1 . 1 1 45 45 LEU C C 45 175.554 175.554 176.205 -0.651 18710 249 1 . 1 1 45 45 LEU CA C 45 55.030 55.030 54.547 0.483 18710 250 1 . 1 1 45 45 LEU CB C 45 42.855 42.855 40.973 1.882 18710 251 1 . 1 1 45 45 LEU H H 45 8.740 8.740 8.478 0.262 18710 252 1 . 1 1 46 46 GLN N N 46 120.892 120.892 121.341 -0.449 18710 253 1 . 1 1 46 46 GLN HA H 46 4.640 4.640 4.506 0.134 18710 254 1 . 1 1 46 46 GLN C C 46 174.603 174.603 175.113 -0.510 18710 255 1 . 1 1 46 46 GLN CA C 46 53.797 53.797 53.452 0.345 18710 256 1 . 1 1 46 46 GLN CB C 46 32.400 32.400 30.611 1.789 18710 257 1 . 1 1 46 46 GLN H H 46 8.462 8.462 8.241 0.221 18710 258 1 . 1 1 47 47 CYS N N 47 122.189 122.189 124.561 -2.372 18710 259 1 . 1 1 47 47 CYS HA H 47 4.754 4.754 4.262 0.492 18710 260 1 . 1 1 47 47 CYS C C 47 171.892 171.892 174.545 -2.653 18710 261 1 . 1 1 47 47 CYS CA C 47 55.011 55.011 59.935 -4.924 18710 262 1 . 1 1 47 47 CYS CB C 47 38.063 38.063 25.426 12.637 18710 263 1 . 1 1 47 47 CYS H H 47 9.292 9.292 8.932 0.360 18710 264 1 . 1 1 48 48 ILE N N 48 129.091 129.091 126.385 2.706 18710 265 1 . 1 1 48 48 ILE HA H 48 4.270 4.270 4.677 -0.407 18710 266 1 . 1 1 48 48 ILE C C 48 175.922 175.922 175.425 0.497 18710 267 1 . 1 1 48 48 ILE CA C 48 60.331 60.331 60.269 0.062 18710 268 1 . 1 1 48 48 ILE CB C 48 37.963 37.963 39.547 -1.584 18710 269 1 . 1 1 48 48 ILE H H 48 8.724 8.724 9.034 -0.310 18710 270 1 . 1 1 49 49 CYS N N 49 126.727 126.727 128.475 -1.748 18710 271 1 . 1 1 49 49 CYS HA H 49 5.228 5.228 4.295 0.933 18710 272 1 . 1 1 49 49 CYS C C 49 172.511 172.511 173.490 -0.979 18710 273 1 . 1 1 49 49 CYS CA C 49 51.590 51.590 59.499 -7.909 18710 274 1 . 1 1 49 49 CYS CB C 49 35.534 35.534 26.607 8.927 18710 275 1 . 1 1 49 49 CYS H H 49 8.457 8.457 8.791 -0.334 18710 276 1 . 1 1 50 50 ASP N N 50 122.574 122.574 125.415 -2.841 18710 277 1 . 1 1 50 50 ASP HA H 50 5.510 5.510 4.796 0.714 18710 278 1 . 1 1 50 50 ASP C C 50 176.217 176.217 175.028 1.189 18710 279 1 . 1 1 50 50 ASP CA C 50 52.083 52.083 52.319 -0.236 18710 280 1 . 1 1 50 50 ASP CB C 50 42.870 42.870 41.800 1.070 18710 281 1 . 1 1 50 50 ASP H H 50 8.896 8.896 8.540 0.356 18710 282 1 . 1 1 51 51 TYR N N 51 125.641 125.641 122.782 2.859 18710 283 1 . 1 1 51 51 TYR HA H 51 4.116 4.116 4.712 -0.596 18710 284 1 . 1 1 51 51 TYR C C 51 175.491 175.491 174.832 0.659 18710 285 1 . 1 1 51 51 TYR CA C 51 59.295 59.295 57.399 1.896 18710 286 1 . 1 1 51 51 TYR CB C 51 38.540 38.540 36.813 1.727 18710 287 1 . 1 1 51 51 TYR H H 51 9.819 9.819 7.685 2.134 18710 288 1 . 1 1 52 52 CYS N N 52 121.040 121.040 117.866 3.174 18710 289 1 . 1 1 52 52 CYS HA H 52 4.372 4.372 4.544 -0.172 18710 290 1 . 1 1 52 52 CYS C C 52 173.129 173.129 173.848 -0.719 18710 291 1 . 1 1 52 52 CYS CA C 52 55.025 55.025 58.482 -3.457 18710 292 1 . 1 1 52 52 CYS CB C 52 44.241 44.241 30.529 13.712 18710 293 1 . 1 1 52 52 CYS H H 52 9.700 9.700 7.662 2.038 18710 294 1 . 1 1 53 53 GLU N N 53 121.628 121.628 122.126 -0.498 18710 295 1 . 1 1 53 53 GLU HA H 53 4.265 4.265 4.497 -0.232 18710 296 1 . 1 1 53 53 GLU C C 53 174.253 174.253 175.941 -1.688 18710 297 1 . 1 1 53 53 GLU CA C 53 55.200 55.200 55.967 -0.767 18710 298 1 . 1 1 53 53 GLU CB C 53 31.198 31.198 27.997 3.201 18710 299 1 . 1 1 53 53 GLU H H 53 8.466 8.466 8.701 -0.235 18710 stop_ save_