data_17824 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17824 _Entry.PDB_ID 2LGV 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 17824 _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 35 35 TRP N N 35 118.681 118.681 119.712 -1.031 17824 2 1 1 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.755 -0.112 17824 3 1 1 . 1 1 35 35 TRP C C 35 175.833 175.833 176.043 -0.210 17824 4 1 1 . 1 1 35 35 TRP CA C 35 56.900 56.900 56.754 0.146 17824 5 1 1 . 1 1 35 35 TRP CB C 35 29.375 29.375 30.200 -0.825 17824 6 1 1 . 1 1 35 35 TRP H H 35 7.831 7.831 8.305 -0.474 17824 7 1 1 . 1 1 36 36 ASP N N 36 121.178 121.178 121.666 -0.488 17824 8 1 1 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.684 -0.110 17824 9 1 1 . 1 1 36 36 ASP C C 36 175.821 175.821 176.725 -0.904 17824 10 1 1 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.621 1.000 17824 11 1 1 . 1 1 36 36 ASP CB C 36 41.150 41.150 42.404 -1.254 17824 12 1 1 . 1 1 36 36 ASP H H 36 8.111 8.111 8.355 -0.244 17824 13 1 1 . 1 1 37 37 ILE N N 37 120.177 120.177 119.088 1.089 17824 14 1 1 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.328 -0.172 17824 15 1 1 . 1 1 37 37 ILE C C 37 175.817 175.817 174.975 0.842 17824 16 1 1 . 1 1 37 37 ILE CA C 37 61.638 61.638 61.497 0.141 17824 17 1 1 . 1 1 37 37 ILE CB C 37 39.034 39.034 38.385 0.649 17824 18 1 1 . 1 1 37 37 ILE H H 37 7.820 7.820 8.017 -0.197 17824 19 1 1 . 1 1 38 38 VAL N N 38 124.844 124.844 123.918 0.926 17824 20 1 1 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.407 -0.247 17824 21 1 1 . 1 1 38 38 VAL C C 38 176.102 176.102 176.285 -0.183 17824 22 1 1 . 1 1 38 38 VAL CA C 38 62.055 62.055 61.609 0.446 17824 23 1 1 . 1 1 38 38 VAL CB C 38 32.764 32.764 34.948 -2.184 17824 24 1 1 . 1 1 38 38 VAL H H 38 8.203 8.203 8.272 -0.069 17824 25 1 1 . 1 1 39 39 VAL N N 39 123.813 123.813 119.856 3.957 17824 26 1 1 . 1 1 39 39 VAL HA H 39 4.138 4.138 4.058 0.080 17824 27 1 1 . 1 1 39 39 VAL C C 39 174.919 174.919 175.539 -0.620 17824 28 1 1 . 1 1 39 39 VAL CA C 39 62.605 62.605 61.573 1.032 17824 29 1 1 . 1 1 39 39 VAL CB C 39 32.825 32.825 32.155 0.670 17824 30 1 1 . 1 1 39 39 VAL H H 39 8.163 8.163 8.365 -0.202 17824 31 1 1 . 1 1 40 40 ASP N N 40 122.074 122.074 118.996 3.078 17824 32 1 1 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.670 -0.202 17824 33 1 1 . 1 1 40 40 ASP C C 40 174.408 174.408 174.736 -0.328 17824 34 1 1 . 1 1 40 40 ASP CA C 40 54.389 54.389 54.324 0.065 17824 35 1 1 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.783 0.372 17824 36 1 1 . 1 1 40 40 ASP H H 40 8.154 8.154 8.397 -0.243 17824 37 1 1 . 1 1 41 41 ASN N N 41 115.983 115.983 114.650 1.333 17824 38 1 1 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.548 0.214 17824 39 1 1 . 1 1 41 41 ASN C C 41 174.643 174.643 173.375 1.268 17824 40 1 1 . 1 1 41 41 ASN CA C 41 52.326 52.326 51.597 0.729 17824 41 1 1 . 1 1 41 41 ASN CB C 41 40.384 40.384 40.380 0.004 17824 42 1 1 . 1 1 41 41 ASN H H 41 7.901 7.901 7.207 0.694 17824 43 1 1 . 1 1 42 42 CYS N N 42 123.612 123.612 119.788 3.824 17824 44 1 1 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.595 -0.309 17824 45 1 1 . 1 1 42 42 CYS C C 42 176.756 176.756 175.649 1.107 17824 46 1 1 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.288 0.512 17824 47 1 1 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.325 4.448 17824 48 1 1 . 1 1 42 42 CYS H H 42 8.503 8.503 8.691 -0.188 17824 49 1 1 . 1 1 43 43 ALA N N 43 132.181 132.181 131.763 0.418 17824 50 1 1 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.256 -0.091 17824 51 1 1 . 1 1 43 43 ALA C C 43 177.706 177.706 178.246 -0.540 17824 52 1 1 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.379 -0.736 17824 53 1 1 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.557 0.854 17824 54 1 1 . 1 1 43 43 ALA H H 43 9.493 9.493 9.078 0.415 17824 55 1 1 . 1 1 44 44 ILE N N 44 116.079 116.079 118.899 -2.820 17824 56 1 1 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.637 0.159 17824 57 1 1 . 1 1 44 44 ILE C C 44 176.208 176.208 177.088 -0.880 17824 58 1 1 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.492 1.040 17824 59 1 1 . 1 1 44 44 ILE CB C 44 39.092 39.092 38.041 1.051 17824 60 1 1 . 1 1 44 44 ILE H H 44 7.956 7.956 8.262 -0.306 17824 61 1 1 . 1 1 45 45 CYS N N 45 116.456 116.456 113.678 2.778 17824 62 1 1 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.743 0.281 17824 63 1 1 . 1 1 45 45 CYS C C 45 175.747 175.747 175.119 0.628 17824 64 1 1 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.260 1.921 17824 65 1 1 . 1 1 45 45 CYS CB C 45 32.878 32.878 30.060 2.818 17824 66 1 1 . 1 1 45 45 CYS H H 45 7.818 7.818 7.846 -0.028 17824 67 1 1 . 1 1 46 46 ARG N N 46 117.125 117.125 121.092 -3.967 17824 68 1 1 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.054 -0.049 17824 69 1 1 . 1 1 46 46 ARG C C 46 175.539 175.539 174.279 1.260 17824 70 1 1 . 1 1 46 46 ARG CA C 46 59.784 59.784 57.147 2.637 17824 71 1 1 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.799 -1.204 17824 72 1 1 . 1 1 46 46 ARG H H 46 8.511 8.511 8.253 0.258 17824 73 1 1 . 1 1 47 47 ASN N N 47 121.377 121.377 115.436 5.941 17824 74 1 1 . 1 1 47 47 ASN HA H 47 5.012 5.012 5.104 -0.092 17824 75 1 1 . 1 1 47 47 ASN C C 47 175.537 175.537 173.736 1.801 17824 76 1 1 . 1 1 47 47 ASN CA C 47 49.022 49.022 52.127 -3.104 17824 77 1 1 . 1 1 47 47 ASN CB C 47 39.015 39.015 42.201 -3.186 17824 78 1 1 . 1 1 47 47 ASN H H 47 8.720 8.720 7.821 0.899 17824 79 1 1 . 1 1 48 48 HIS N N 48 122.235 122.235 119.434 2.801 17824 80 1 1 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.437 0.062 17824 81 1 1 . 1 1 48 48 HIS C C 48 177.722 177.722 175.075 2.647 17824 82 1 1 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.504 1.368 17824 83 1 1 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.329 -0.609 17824 84 1 1 . 1 1 48 48 HIS H H 48 9.226 9.226 8.816 0.410 17824 85 1 1 . 1 1 49 49 ILE N N 49 126.643 126.643 124.199 2.444 17824 86 1 1 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.725 -0.325 17824 87 1 1 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.333 -0.845 17824 88 1 1 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.497 0.474 17824 89 1 1 . 1 1 49 49 ILE H H 49 7.991 7.991 7.175 0.816 17824 90 1 1 . 1 1 50 50 MET HA H 50 4.268 4.268 4.274 -0.006 17824 91 1 1 . 1 1 50 50 MET C C 50 177.236 177.236 174.599 2.637 17824 92 1 1 . 1 1 50 50 MET CA C 50 54.795 54.795 56.849 -2.054 17824 93 1 1 . 1 1 50 50 MET CB C 50 31.357 31.357 31.455 -0.098 17824 94 1 1 . 1 1 51 51 ASP N N 51 121.143 121.143 118.132 3.011 17824 95 1 1 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.622 -0.609 17824 96 1 1 . 1 1 51 51 ASP C C 51 176.770 176.770 176.369 0.401 17824 97 1 1 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.071 -1.968 17824 98 1 1 . 1 1 51 51 ASP CB C 51 43.285 43.285 43.918 -0.633 17824 99 1 1 . 1 1 51 51 ASP H H 51 7.854 7.854 7.922 -0.068 17824 100 1 1 . 1 1 52 52 LEU N N 52 119.501 119.501 120.748 -1.247 17824 101 1 1 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.293 0.053 17824 102 1 1 . 1 1 52 52 LEU C C 52 177.049 177.049 176.335 0.714 17824 103 1 1 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.455 -0.024 17824 104 1 1 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.811 0.544 17824 105 1 1 . 1 1 52 52 LEU H H 52 8.484 8.484 8.571 -0.087 17824 106 1 1 . 1 1 53 53 CYS N N 53 120.790 120.790 117.461 3.329 17824 107 1 1 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.670 -0.824 17824 108 1 1 . 1 1 53 53 CYS C C 53 175.247 175.247 176.675 -1.428 17824 109 1 1 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.140 -0.309 17824 110 1 1 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.869 2.775 17824 111 1 1 . 1 1 53 53 CYS H H 53 8.151 8.151 8.052 0.099 17824 112 1 1 . 1 1 54 54 ILE N N 54 116.790 116.790 120.340 -3.550 17824 113 1 1 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.718 0.217 17824 114 1 1 . 1 1 54 54 ILE C C 54 176.615 176.615 178.133 -1.518 17824 115 1 1 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.207 -1.301 17824 116 1 1 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.134 1.900 17824 117 1 1 . 1 1 54 54 ILE H H 54 6.626 6.626 8.727 -2.101 17824 118 1 1 . 1 1 55 55 GLU N N 55 123.451 123.451 119.944 3.507 17824 119 1 1 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.161 -0.007 17824 120 1 1 . 1 1 55 55 GLU C C 55 179.075 179.075 178.909 0.166 17824 121 1 1 . 1 1 55 55 GLU CA C 55 59.781 59.781 59.070 0.711 17824 122 1 1 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.395 1.069 17824 123 1 1 . 1 1 55 55 GLU H H 55 7.642 7.642 8.573 -0.931 17824 124 1 1 . 1 1 56 56 CYS N N 56 124.445 124.445 117.099 7.346 17824 125 1 1 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.043 -0.055 17824 126 1 1 . 1 1 56 56 CYS C C 56 178.290 178.290 177.105 1.185 17824 127 1 1 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.727 2.251 17824 128 1 1 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.060 3.592 17824 129 1 1 . 1 1 56 56 CYS H H 56 8.676 8.676 8.415 0.261 17824 130 1 1 . 1 1 57 57 GLN N N 57 117.736 117.736 119.790 -2.054 17824 131 1 1 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.032 -0.140 17824 132 1 1 . 1 1 57 57 GLN C C 57 177.428 177.428 178.004 -0.576 17824 133 1 1 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.345 0.527 17824 134 1 1 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.224 1.604 17824 135 1 1 . 1 1 57 57 GLN H H 57 8.419 8.419 7.908 0.511 17824 136 1 1 . 1 1 58 58 ALA N N 58 119.578 119.578 121.963 -2.385 17824 137 1 1 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.135 0.142 17824 138 1 1 . 1 1 58 58 ALA C C 58 178.087 178.087 179.196 -1.109 17824 139 1 1 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.901 -0.379 17824 140 1 1 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.616 0.402 17824 141 1 1 . 1 1 58 58 ALA H H 58 7.335 7.335 7.679 -0.344 17824 142 1 1 . 1 1 59 59 ASN N N 59 116.209 116.209 117.390 -1.181 17824 143 1 1 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.514 0.304 17824 144 1 1 . 1 1 59 59 ASN C C 59 175.372 175.372 175.255 0.117 17824 145 1 1 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.327 -1.669 17824 146 1 1 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.487 -0.378 17824 147 1 1 . 1 1 59 59 ASN H H 59 7.617 7.617 8.374 -0.757 17824 148 1 1 . 1 1 60 60 GLN N N 60 120.078 120.078 114.764 5.314 17824 149 1 1 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.950 0.262 17824 150 1 1 . 1 1 60 60 GLN C C 60 176.218 176.218 174.492 1.726 17824 151 1 1 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.370 0.940 17824 152 1 1 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.014 2.636 17824 153 1 1 . 1 1 60 60 GLN H H 60 8.116 8.116 7.915 0.201 17824 154 1 1 . 1 1 61 61 ALA N N 61 122.298 122.298 125.871 -3.573 17824 155 1 1 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.322 -0.004 17824 156 1 1 . 1 1 61 61 ALA C C 61 177.964 177.964 176.937 1.027 17824 157 1 1 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.462 0.978 17824 158 1 1 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.839 -1.187 17824 159 1 1 . 1 1 61 61 ALA H H 61 8.345 8.345 7.881 0.464 17824 160 1 1 . 1 1 62 62 SER N N 62 113.232 113.232 117.611 -4.379 17824 161 1 1 . 1 1 62 62 SER HA H 62 4.454 4.454 4.543 -0.089 17824 162 1 1 . 1 1 62 62 SER C C 62 174.747 174.747 173.598 1.149 17824 163 1 1 . 1 1 62 62 SER CA C 62 58.197 58.197 57.801 0.396 17824 164 1 1 . 1 1 62 62 SER CB C 62 63.906 63.906 61.035 2.871 17824 165 1 1 . 1 1 62 62 SER H H 62 8.011 8.011 8.573 -0.562 17824 166 1 1 . 1 1 63 63 ALA N N 63 125.573 125.573 129.501 -3.928 17824 167 1 1 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.461 -0.278 17824 168 1 1 . 1 1 63 63 ALA C C 63 178.091 178.091 176.088 2.003 17824 169 1 1 . 1 1 63 63 ALA CA C 63 53.006 53.006 53.166 -0.160 17824 170 1 1 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.827 -1.071 17824 171 1 1 . 1 1 63 63 ALA H H 63 8.323 8.323 8.315 0.008 17824 172 1 1 . 1 1 64 64 THR N N 64 111.006 111.006 113.383 -2.377 17824 173 1 1 . 1 1 64 64 THR HA H 64 4.495 4.495 4.591 -0.096 17824 174 1 1 . 1 1 64 64 THR C C 64 175.346 175.346 173.385 1.961 17824 175 1 1 . 1 1 64 64 THR CA C 64 61.903 61.903 62.018 -0.115 17824 176 1 1 . 1 1 64 64 THR CB C 64 69.903 69.903 72.246 -2.343 17824 177 1 1 . 1 1 64 64 THR H H 64 8.071 8.071 7.546 0.525 17824 178 1 1 . 1 1 65 65 SER N N 65 118.037 118.037 118.941 -0.904 17824 179 1 1 . 1 1 65 65 SER HA H 65 4.524 4.524 4.446 0.078 17824 180 1 1 . 1 1 65 65 SER C C 65 175.131 175.131 175.453 -0.322 17824 181 1 1 . 1 1 65 65 SER CA C 65 59.795 59.795 59.401 0.394 17824 182 1 1 . 1 1 65 65 SER CB C 65 63.833 63.833 63.785 0.048 17824 183 1 1 . 1 1 65 65 SER H H 65 8.328 8.328 8.581 -0.253 17824 184 1 1 . 1 1 66 66 GLU N N 66 121.505 121.505 120.868 0.637 17824 185 1 1 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.153 0.161 17824 186 1 1 . 1 1 66 66 GLU C C 66 176.394 176.394 176.104 0.290 17824 187 1 1 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.776 -1.780 17824 188 1 1 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.107 0.203 17824 189 1 1 . 1 1 66 66 GLU H H 66 8.368 8.368 8.382 -0.014 17824 190 1 1 . 1 1 67 67 GLU N N 67 119.409 119.409 113.205 6.204 17824 191 1 1 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.572 -0.281 17824 192 1 1 . 1 1 67 67 GLU C C 67 175.079 175.079 174.954 0.125 17824 193 1 1 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.834 1.646 17824 194 1 1 . 1 1 67 67 GLU CB C 67 29.931 29.931 30.653 -0.722 17824 195 1 1 . 1 1 67 67 GLU H H 67 8.074 8.074 7.996 0.078 17824 196 1 1 . 1 1 68 68 CYS N N 68 126.937 126.937 123.845 3.092 17824 197 1 1 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.550 -0.262 17824 198 1 1 . 1 1 68 68 CYS C C 68 174.423 174.423 174.250 0.173 17824 199 1 1 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.313 -0.504 17824 200 1 1 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.513 0.157 17824 201 1 1 . 1 1 68 68 CYS H H 68 8.340 8.340 8.343 -0.003 17824 202 1 1 . 1 1 69 69 THR N N 69 116.442 116.442 110.733 5.709 17824 203 1 1 . 1 1 69 69 THR HA H 69 4.891 4.891 4.578 0.313 17824 204 1 1 . 1 1 69 69 THR C C 69 175.561 175.561 172.967 2.594 17824 205 1 1 . 1 1 69 69 THR CA C 69 60.817 60.817 61.648 -0.831 17824 206 1 1 . 1 1 69 69 THR CB C 69 71.654 71.654 71.500 0.154 17824 207 1 1 . 1 1 69 69 THR H H 69 7.497 7.497 7.712 -0.215 17824 208 1 1 . 1 1 70 70 VAL N N 70 123.637 123.637 123.391 0.246 17824 209 1 1 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.732 -0.397 17824 210 1 1 . 1 1 70 70 VAL C C 70 174.368 174.368 173.295 1.073 17824 211 1 1 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.666 2.276 17824 212 1 1 . 1 1 70 70 VAL CB C 70 33.897 33.897 36.010 -2.113 17824 213 1 1 . 1 1 70 70 VAL H H 70 8.862 8.862 8.593 0.269 17824 214 1 1 . 1 1 71 71 ALA N N 71 128.540 128.540 127.492 1.048 17824 215 1 1 . 1 1 71 71 ALA HA H 71 5.286 5.286 5.141 0.145 17824 216 1 1 . 1 1 71 71 ALA C C 71 174.520 174.520 175.476 -0.956 17824 217 1 1 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.764 0.008 17824 218 1 1 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.897 1.078 17824 219 1 1 . 1 1 71 71 ALA H H 71 9.247 9.247 8.911 0.336 17824 220 1 1 . 1 1 72 72 TRP N N 72 120.167 120.167 121.938 -1.771 17824 221 1 1 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.361 0.059 17824 222 1 1 . 1 1 72 72 TRP C C 72 177.182 177.182 176.941 0.241 17824 223 1 1 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.204 1.559 17824 224 1 1 . 1 1 72 72 TRP CB C 72 32.630 32.630 32.008 0.622 17824 225 1 1 . 1 1 72 72 TRP H H 72 9.065 9.065 9.158 -0.093 17824 226 1 1 . 1 1 73 73 GLY N N 73 110.755 110.755 108.112 2.643 17824 227 1 1 . 1 1 73 73 GLY C C 73 177.914 177.914 174.865 3.049 17824 228 1 1 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.359 0.808 17824 229 1 1 . 1 1 73 73 GLY H H 73 9.128 9.128 9.513 -0.385 17824 230 1 1 . 1 1 74 74 VAL N N 74 122.747 122.747 125.216 -2.469 17824 231 1 1 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.750 0.086 17824 232 1 1 . 1 1 74 74 VAL C C 74 176.014 176.014 176.660 -0.646 17824 233 1 1 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.249 -0.256 17824 234 1 1 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.795 -0.075 17824 235 1 1 . 1 1 74 74 VAL H H 74 8.299 8.299 8.274 0.025 17824 236 1 1 . 1 1 75 75 CYS N N 75 116.720 116.720 116.054 0.666 17824 237 1 1 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.432 -0.137 17824 238 1 1 . 1 1 75 75 CYS C C 75 174.359 174.359 175.465 -1.106 17824 239 1 1 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.756 0.461 17824 240 1 1 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.671 4.030 17824 241 1 1 . 1 1 75 75 CYS H H 75 7.567 7.567 8.002 -0.435 17824 242 1 1 . 1 1 76 76 ASN N N 76 114.522 114.522 118.408 -3.886 17824 243 1 1 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.275 0.159 17824 244 1 1 . 1 1 76 76 ASN C C 76 173.726 173.726 173.421 0.305 17824 245 1 1 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.196 1.456 17824 246 1 1 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.470 0.478 17824 247 1 1 . 1 1 76 76 ASN H H 76 8.060 8.060 8.086 -0.026 17824 248 1 1 . 1 1 77 77 HIS N N 77 117.754 117.754 116.811 0.943 17824 249 1 1 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.748 -0.031 17824 250 1 1 . 1 1 77 77 HIS C C 77 172.650 172.650 172.971 -0.321 17824 251 1 1 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.555 3.271 17824 252 1 1 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.255 -1.366 17824 253 1 1 . 1 1 77 77 HIS H H 77 7.797 7.797 7.638 0.159 17824 254 1 1 . 1 1 78 78 ALA N N 78 122.889 122.889 123.959 -1.070 17824 255 1 1 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.394 -0.445 17824 256 1 1 . 1 1 78 78 ALA C C 78 174.873 174.873 174.848 0.025 17824 257 1 1 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.300 -1.771 17824 258 1 1 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.601 -1.524 17824 259 1 1 . 1 1 78 78 ALA H H 78 7.811 7.811 8.308 -0.497 17824 260 1 1 . 1 1 79 79 PHE N N 79 113.618 113.618 119.945 -6.327 17824 261 1 1 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.727 -0.028 17824 262 1 1 . 1 1 79 79 PHE C C 79 176.138 176.138 174.804 1.334 17824 263 1 1 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.557 -1.208 17824 264 1 1 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.489 2.097 17824 265 1 1 . 1 1 79 79 PHE H H 79 8.377 8.377 8.767 -0.390 17824 266 1 1 . 1 1 80 80 HIS N N 80 118.823 118.823 120.222 -1.399 17824 267 1 1 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.979 -0.150 17824 268 1 1 . 1 1 80 80 HIS C C 80 177.268 177.268 176.526 0.742 17824 269 1 1 . 1 1 80 80 HIS CA C 80 60.949 60.949 55.691 5.258 17824 270 1 1 . 1 1 80 80 HIS CB C 80 29.735 29.735 31.196 -1.461 17824 271 1 1 . 1 1 80 80 HIS H H 80 8.429 8.429 8.400 0.029 17824 272 1 1 . 1 1 81 81 PHE N N 81 129.040 129.040 125.831 3.209 17824 273 1 1 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.224 0.115 17824 274 1 1 . 1 1 81 81 PHE C C 81 178.911 178.911 176.683 2.228 17824 275 1 1 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.278 -0.439 17824 276 1 1 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.276 -0.220 17824 277 1 1 . 1 1 81 81 PHE H H 81 9.881 9.881 9.224 0.657 17824 278 1 1 . 1 1 82 82 HIS N N 82 120.611 120.611 119.021 1.590 17824 279 1 1 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.039 0.247 17824 280 1 1 . 1 1 82 82 HIS C C 82 177.694 177.694 177.024 0.670 17824 281 1 1 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.781 -0.877 17824 282 1 1 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.804 3.029 17824 283 1 1 . 1 1 82 82 HIS H H 82 10.457 10.457 8.030 2.427 17824 284 1 1 . 1 1 83 83 CYS N N 83 117.628 117.628 117.633 -0.005 17824 285 1 1 . 1 1 83 83 CYS HA H 83 4.154 4.154 3.965 0.189 17824 286 1 1 . 1 1 83 83 CYS C C 83 177.768 177.768 177.007 0.761 17824 287 1 1 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.201 0.767 17824 288 1 1 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.192 2.712 17824 289 1 1 . 1 1 83 83 CYS H H 83 6.933 6.933 8.274 -1.341 17824 290 1 1 . 1 1 84 84 ILE N N 84 119.139 119.139 120.369 -1.230 17824 291 1 1 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.391 0.451 17824 292 1 1 . 1 1 84 84 ILE C C 84 175.705 175.705 176.993 -1.288 17824 293 1 1 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.469 -3.592 17824 294 1 1 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.670 0.407 17824 295 1 1 . 1 1 84 84 ILE H H 84 8.290 8.290 8.748 -0.458 17824 296 1 1 . 1 1 85 85 SER N N 85 118.224 118.224 116.434 1.790 17824 297 1 1 . 1 1 85 85 SER HA H 85 3.995 3.995 3.966 0.029 17824 298 1 1 . 1 1 85 85 SER C C 85 176.097 176.097 176.678 -0.581 17824 299 1 1 . 1 1 85 85 SER CA C 85 62.841 62.841 62.267 0.575 17824 300 1 1 . 1 1 85 85 SER CB C 85 62.009 62.009 62.434 -0.425 17824 301 1 1 . 1 1 85 85 SER H H 85 8.157 8.157 8.049 0.108 17824 302 1 1 . 1 1 86 86 ARG N N 86 120.496 120.496 121.198 -0.702 17824 303 1 1 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.032 -0.008 17824 304 1 1 . 1 1 86 86 ARG C C 86 179.382 179.382 178.225 1.157 17824 305 1 1 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.465 1.400 17824 306 1 1 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.656 0.204 17824 307 1 1 . 1 1 86 86 ARG H H 86 7.174 7.174 7.593 -0.419 17824 308 1 1 . 1 1 87 87 TRP N N 87 123.951 123.951 121.770 2.181 17824 309 1 1 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.201 -0.042 17824 310 1 1 . 1 1 87 87 TRP C C 87 177.572 177.572 178.128 -0.556 17824 311 1 1 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.269 0.655 17824 312 1 1 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.397 -0.151 17824 313 1 1 . 1 1 87 87 TRP H H 87 7.981 7.981 7.973 0.008 17824 314 1 1 . 1 1 88 88 LEU N N 88 116.707 116.707 117.552 -0.845 17824 315 1 1 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.254 0.509 17824 316 1 1 . 1 1 88 88 LEU C C 88 178.008 178.008 178.982 -0.974 17824 317 1 1 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.635 -0.907 17824 318 1 1 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.709 0.487 17824 319 1 1 . 1 1 88 88 LEU H H 88 8.246 8.246 8.285 -0.039 17824 320 1 1 . 1 1 89 89 LYS N N 89 117.240 117.240 118.093 -0.853 17824 321 1 1 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.011 0.070 17824 322 1 1 . 1 1 89 89 LYS C C 89 178.385 178.385 177.764 0.621 17824 323 1 1 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.802 0.109 17824 324 1 1 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.498 -0.194 17824 325 1 1 . 1 1 89 89 LYS H H 89 7.309 7.309 7.665 -0.356 17824 326 1 1 . 1 1 90 90 THR N N 90 106.446 106.446 110.570 -4.124 17824 327 1 1 . 1 1 90 90 THR HA H 90 4.383 4.383 4.211 0.172 17824 328 1 1 . 1 1 90 90 THR C C 90 173.919 173.919 174.520 -0.601 17824 329 1 1 . 1 1 90 90 THR CA C 90 62.069 62.069 62.335 -0.266 17824 330 1 1 . 1 1 90 90 THR CB C 90 70.133 70.133 70.047 0.086 17824 331 1 1 . 1 1 90 90 THR H H 90 7.452 7.452 7.419 0.033 17824 332 1 1 . 1 1 91 91 ARG N N 91 121.616 121.616 120.107 1.509 17824 333 1 1 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.453 -0.048 17824 334 1 1 . 1 1 91 91 ARG C C 91 174.754 174.754 175.528 -0.774 17824 335 1 1 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.338 1.495 17824 336 1 1 . 1 1 91 91 ARG CB C 91 33.885 33.885 31.583 2.302 17824 337 1 1 . 1 1 91 91 ARG H H 91 7.426 7.426 7.902 -0.476 17824 338 1 1 . 1 1 92 92 GLN N N 92 118.161 118.161 120.526 -2.365 17824 339 1 1 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.311 0.397 17824 340 1 1 . 1 1 92 92 GLN C C 92 176.437 176.437 174.852 1.585 17824 341 1 1 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.426 -1.643 17824 342 1 1 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.906 -0.948 17824 343 1 1 . 1 1 92 92 GLN H H 92 8.526 8.526 8.639 -0.113 17824 344 1 1 . 1 1 93 93 VAL N N 93 109.557 109.557 111.814 -2.257 17824 345 1 1 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.994 0.071 17824 346 1 1 . 1 1 93 93 VAL C C 93 174.806 174.806 175.567 -0.761 17824 347 1 1 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.283 -0.936 17824 348 1 1 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.509 0.799 17824 349 1 1 . 1 1 93 93 VAL H H 93 7.083 7.083 7.179 -0.096 17824 350 1 1 . 1 1 94 94 CYS N N 94 123.889 123.889 122.895 0.994 17824 351 1 1 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.639 -0.135 17824 352 1 1 . 1 1 94 94 CYS CA C 94 56.860 56.860 60.833 -3.973 17824 353 1 1 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.868 3.897 17824 354 1 1 . 1 1 94 94 CYS H H 94 9.020 9.020 9.364 -0.344 17824 355 1 1 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.188 -0.108 17824 356 1 1 . 1 1 95 95 PRO C C 95 177.037 177.037 176.379 0.658 17824 357 1 1 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.921 -0.923 17824 358 1 1 . 1 1 95 95 PRO CB C 95 31.662 31.662 31.089 0.573 17824 359 1 1 . 1 1 96 96 LEU N N 96 118.497 118.497 118.540 -0.043 17824 360 1 1 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.293 0.023 17824 361 1 1 . 1 1 96 96 LEU C C 96 177.797 177.797 177.989 -0.192 17824 362 1 1 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.655 -0.843 17824 363 1 1 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.736 1.338 17824 364 1 1 . 1 1 96 96 LEU H H 96 8.798 8.798 7.637 1.161 17824 365 1 1 . 1 1 97 97 ASP N N 97 114.958 114.958 118.787 -3.829 17824 366 1 1 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.626 0.326 17824 367 1 1 . 1 1 97 97 ASP C C 97 175.946 175.946 176.464 -0.518 17824 368 1 1 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.476 -0.764 17824 369 1 1 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.777 2.406 17824 370 1 1 . 1 1 97 97 ASP H H 97 7.396 7.396 8.430 -1.034 17824 371 1 1 . 1 1 98 98 ASN N N 98 115.407 115.407 114.787 0.620 17824 372 1 1 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.572 -0.148 17824 373 1 1 . 1 1 98 98 ASN C C 98 173.934 173.934 174.133 -0.199 17824 374 1 1 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.367 0.935 17824 375 1 1 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.523 1.473 17824 376 1 1 . 1 1 98 98 ASN H H 98 8.332 8.332 8.062 0.270 17824 377 1 1 . 1 1 99 99 ARG N N 99 119.005 119.005 118.373 0.632 17824 378 1 1 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.641 -0.169 17824 379 1 1 . 1 1 99 99 ARG C C 99 176.631 176.631 175.675 0.956 17824 380 1 1 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.638 1.183 17824 381 1 1 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.433 -1.463 17824 382 1 1 . 1 1 99 99 ARG H H 99 8.825 8.825 8.094 0.731 17824 383 1 1 . 1 1 100 100 GLU N N 100 122.676 122.676 121.904 0.772 17824 384 1 1 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.429 -0.279 17824 385 1 1 . 1 1 100 100 GLU C C 100 176.647 176.647 176.079 0.568 17824 386 1 1 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.513 0.835 17824 387 1 1 . 1 1 100 100 GLU CB C 100 29.734 29.734 29.952 -0.218 17824 388 1 1 . 1 1 100 100 GLU H H 100 8.869 8.869 8.767 0.102 17824 389 1 1 . 1 1 101 101 TRP N N 101 126.288 126.288 128.661 -2.373 17824 390 1 1 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.638 -0.035 17824 391 1 1 . 1 1 101 101 TRP C C 101 175.786 175.786 175.312 0.474 17824 392 1 1 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.826 0.109 17824 393 1 1 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.414 -0.656 17824 394 1 1 . 1 1 101 101 TRP H H 101 8.437 8.437 8.141 0.296 17824 395 1 1 . 1 1 102 102 GLU N N 102 127.912 127.912 123.891 4.021 17824 396 1 1 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.301 -0.029 17824 397 1 1 . 1 1 102 102 GLU C C 102 174.791 174.791 174.601 0.190 17824 398 1 1 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.189 0.535 17824 399 1 1 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.294 -0.039 17824 400 1 1 . 1 1 102 102 GLU H H 102 7.319 7.319 7.383 -0.064 17824 401 1 1 . 1 1 103 103 PHE N N 103 122.445 122.445 123.009 -0.564 17824 402 1 1 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.805 -0.437 17824 403 1 1 . 1 1 103 103 PHE C C 103 176.419 176.419 176.109 0.310 17824 404 1 1 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.827 1.243 17824 405 1 1 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.498 0.376 17824 406 1 1 . 1 1 103 103 PHE H H 103 8.827 8.827 8.766 0.061 17824 407 1 1 . 1 1 104 104 GLN N N 104 122.896 122.896 127.849 -4.953 17824 408 1 1 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.330 -0.044 17824 409 1 1 . 1 1 104 104 GLN C C 104 175.487 175.487 175.456 0.031 17824 410 1 1 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.796 -1.526 17824 411 1 1 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.310 0.236 17824 412 1 1 . 1 1 104 104 GLN H H 104 9.119 9.119 8.951 0.168 17824 413 1 1 . 1 1 105 105 LYS N N 105 121.917 121.917 116.626 5.291 17824 414 1 1 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.531 -0.095 17824 415 1 1 . 1 1 105 105 LYS C C 105 175.219 175.219 174.746 0.473 17824 416 1 1 . 1 1 105 105 LYS CA C 105 56.282 56.282 55.973 0.309 17824 417 1 1 . 1 1 105 105 LYS CB C 105 33.804 33.804 35.214 -1.410 17824 418 1 1 . 1 1 105 105 LYS H H 105 8.308 8.308 7.853 0.455 17824 419 1 1 . 1 1 106 106 TYR N N 106 121.451 121.451 121.903 -0.452 17824 420 1 1 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.855 -0.041 17824 421 1 1 . 1 1 106 106 TYR C C 106 176.017 176.017 176.389 -0.372 17824 422 1 1 . 1 1 106 106 TYR CA C 106 57.828 57.828 57.748 0.080 17824 423 1 1 . 1 1 106 106 TYR CB C 106 39.606 39.606 39.834 -0.229 17824 424 1 1 . 1 1 106 106 TYR H H 106 8.431 8.431 8.363 0.068 17824 425 1 1 . 1 1 107 107 GLY N N 107 110.965 110.965 111.194 -0.229 17824 426 1 1 . 1 1 107 107 GLY C C 107 172.723 172.723 174.286 -1.563 17824 427 1 1 . 1 1 107 107 GLY CA C 107 45.282 45.282 45.066 0.216 17824 428 1 1 . 1 1 107 107 GLY H H 107 8.395 8.395 7.509 0.886 17824 429 1 2 . 1 1 35 35 TRP N N 35 118.681 118.681 123.340 -4.659 17824 430 1 2 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.895 -0.252 17824 431 1 2 . 1 1 35 35 TRP C C 35 175.833 175.833 174.755 1.078 17824 432 1 2 . 1 1 35 35 TRP CA C 35 56.900 56.900 55.770 1.130 17824 433 1 2 . 1 1 35 35 TRP CB C 35 29.375 29.375 32.237 -2.862 17824 434 1 2 . 1 1 35 35 TRP H H 35 7.831 7.831 8.536 -0.705 17824 435 1 2 . 1 1 36 36 ASP N N 36 121.178 121.178 119.390 1.788 17824 436 1 2 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.897 -0.323 17824 437 1 2 . 1 1 36 36 ASP C C 36 175.821 175.821 174.974 0.847 17824 438 1 2 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.608 1.014 17824 439 1 2 . 1 1 36 36 ASP CB C 36 41.150 41.150 41.278 -0.128 17824 440 1 2 . 1 1 36 36 ASP H H 36 8.111 8.111 8.507 -0.396 17824 441 1 2 . 1 1 37 37 ILE N N 37 120.177 120.177 119.995 0.182 17824 442 1 2 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.533 -0.377 17824 443 1 2 . 1 1 37 37 ILE C C 37 175.817 175.817 174.702 1.115 17824 444 1 2 . 1 1 37 37 ILE CA C 37 61.638 61.638 59.407 2.231 17824 445 1 2 . 1 1 37 37 ILE CB C 37 39.034 39.034 40.784 -1.750 17824 446 1 2 . 1 1 37 37 ILE H H 37 7.820 7.820 7.869 -0.049 17824 447 1 2 . 1 1 38 38 VAL N N 38 124.844 124.844 120.808 4.036 17824 448 1 2 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.115 0.045 17824 449 1 2 . 1 1 38 38 VAL C C 38 176.102 176.102 176.283 -0.181 17824 450 1 2 . 1 1 38 38 VAL CA C 38 62.055 62.055 62.663 -0.608 17824 451 1 2 . 1 1 38 38 VAL CB C 38 32.764 32.764 32.365 0.399 17824 452 1 2 . 1 1 38 38 VAL H H 38 8.203 8.203 8.199 0.004 17824 453 1 2 . 1 1 39 39 VAL N N 39 123.813 123.813 123.625 0.188 17824 454 1 2 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.896 0.242 17824 455 1 2 . 1 1 39 39 VAL C C 39 174.919 174.919 175.297 -0.378 17824 456 1 2 . 1 1 39 39 VAL CA C 39 62.605 62.605 62.869 -0.264 17824 457 1 2 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.102 1.723 17824 458 1 2 . 1 1 39 39 VAL H H 39 8.163 8.163 8.644 -0.481 17824 459 1 2 . 1 1 40 40 ASP N N 40 122.074 122.074 116.695 5.379 17824 460 1 2 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.577 -0.110 17824 461 1 2 . 1 1 40 40 ASP C C 40 174.408 174.408 174.850 -0.442 17824 462 1 2 . 1 1 40 40 ASP CA C 40 54.389 54.389 53.030 1.359 17824 463 1 2 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.299 0.856 17824 464 1 2 . 1 1 40 40 ASP H H 40 8.154 8.154 8.095 0.059 17824 465 1 2 . 1 1 41 41 ASN N N 41 115.983 115.983 117.212 -1.229 17824 466 1 2 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.781 -0.019 17824 467 1 2 . 1 1 41 41 ASN C C 41 174.643 174.643 173.429 1.214 17824 468 1 2 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.607 -0.281 17824 469 1 2 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.753 -1.369 17824 470 1 2 . 1 1 41 41 ASN H H 41 7.901 7.901 7.428 0.473 17824 471 1 2 . 1 1 42 42 CYS N N 42 123.612 123.612 123.142 0.470 17824 472 1 2 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.492 -0.206 17824 473 1 2 . 1 1 42 42 CYS C C 42 176.756 176.756 175.624 1.132 17824 474 1 2 . 1 1 42 42 CYS CA C 42 58.800 58.800 59.217 -0.417 17824 475 1 2 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.609 4.164 17824 476 1 2 . 1 1 42 42 CYS H H 42 8.503 8.503 8.212 0.291 17824 477 1 2 . 1 1 43 43 ALA N N 43 132.181 132.181 131.809 0.372 17824 478 1 2 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.213 -0.048 17824 479 1 2 . 1 1 43 43 ALA C C 43 177.706 177.706 178.026 -0.320 17824 480 1 2 . 1 1 43 43 ALA CA C 43 53.643 53.643 53.728 -0.085 17824 481 1 2 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.597 0.814 17824 482 1 2 . 1 1 43 43 ALA H H 43 9.493 9.493 8.990 0.503 17824 483 1 2 . 1 1 44 44 ILE N N 44 116.079 116.079 116.454 -0.375 17824 484 1 2 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.660 0.136 17824 485 1 2 . 1 1 44 44 ILE C C 44 176.208 176.208 176.704 -0.496 17824 486 1 2 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.856 0.676 17824 487 1 2 . 1 1 44 44 ILE CB C 44 39.092 39.092 38.263 0.829 17824 488 1 2 . 1 1 44 44 ILE H H 44 7.956 7.956 7.963 -0.007 17824 489 1 2 . 1 1 45 45 CYS N N 45 116.456 116.456 112.785 3.671 17824 490 1 2 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.557 0.467 17824 491 1 2 . 1 1 45 45 CYS C C 45 175.747 175.747 175.164 0.583 17824 492 1 2 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.546 1.635 17824 493 1 2 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.476 3.402 17824 494 1 2 . 1 1 45 45 CYS H H 45 7.818 7.818 7.694 0.124 17824 495 1 2 . 1 1 46 46 ARG N N 46 117.125 117.125 118.395 -1.270 17824 496 1 2 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.007 -0.002 17824 497 1 2 . 1 1 46 46 ARG C C 46 175.539 175.539 175.086 0.453 17824 498 1 2 . 1 1 46 46 ARG CA C 46 59.784 59.784 57.099 2.685 17824 499 1 2 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.090 -0.496 17824 500 1 2 . 1 1 46 46 ARG H H 46 8.511 8.511 8.177 0.334 17824 501 1 2 . 1 1 47 47 ASN N N 47 121.377 121.377 116.895 4.482 17824 502 1 2 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.978 0.034 17824 503 1 2 . 1 1 47 47 ASN C C 47 175.537 175.537 173.932 1.605 17824 504 1 2 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.339 -2.317 17824 505 1 2 . 1 1 47 47 ASN CB C 47 39.015 39.015 40.847 -1.832 17824 506 1 2 . 1 1 47 47 ASN H H 47 8.720 8.720 7.529 1.191 17824 507 1 2 . 1 1 48 48 HIS N N 48 122.235 122.235 117.053 5.182 17824 508 1 2 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.485 0.014 17824 509 1 2 . 1 1 48 48 HIS C C 48 177.722 177.722 176.275 1.447 17824 510 1 2 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.508 1.364 17824 511 1 2 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.646 -0.926 17824 512 1 2 . 1 1 48 48 HIS H H 48 9.226 9.226 8.528 0.698 17824 513 1 2 . 1 1 49 49 ILE N N 49 126.643 126.643 121.452 5.191 17824 514 1 2 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.716 -0.316 17824 515 1 2 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.608 -1.120 17824 516 1 2 . 1 1 49 49 ILE CB C 49 38.971 38.971 39.056 -0.085 17824 517 1 2 . 1 1 49 49 ILE H H 49 7.991 7.991 8.072 -0.081 17824 518 1 2 . 1 1 50 50 MET HA H 50 4.268 4.268 4.740 -0.472 17824 519 1 2 . 1 1 50 50 MET C C 50 177.236 177.236 174.355 2.881 17824 520 1 2 . 1 1 50 50 MET CA C 50 54.795 54.795 54.643 0.152 17824 521 1 2 . 1 1 50 50 MET CB C 50 31.357 31.357 32.069 -0.712 17824 522 1 2 . 1 1 51 51 ASP N N 51 121.143 121.143 123.485 -2.342 17824 523 1 2 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.283 -0.270 17824 524 1 2 . 1 1 51 51 ASP C C 51 176.770 176.770 174.745 2.025 17824 525 1 2 . 1 1 51 51 ASP CA C 51 50.103 50.103 53.003 -2.900 17824 526 1 2 . 1 1 51 51 ASP CB C 51 43.285 43.285 44.035 -0.750 17824 527 1 2 . 1 1 51 51 ASP H H 51 7.854 7.854 8.151 -0.297 17824 528 1 2 . 1 1 52 52 LEU N N 52 119.501 119.501 121.334 -1.833 17824 529 1 2 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.397 -0.051 17824 530 1 2 . 1 1 52 52 LEU C C 52 177.049 177.049 176.273 0.776 17824 531 1 2 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.487 -0.056 17824 532 1 2 . 1 1 52 52 LEU CB C 52 43.355 43.355 43.024 0.331 17824 533 1 2 . 1 1 52 52 LEU H H 52 8.484 8.484 8.592 -0.108 17824 534 1 2 . 1 1 53 53 CYS N N 53 120.790 120.790 118.350 2.440 17824 535 1 2 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.533 -0.687 17824 536 1 2 . 1 1 53 53 CYS C C 53 175.247 175.247 176.593 -1.346 17824 537 1 2 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.426 -0.595 17824 538 1 2 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.047 3.598 17824 539 1 2 . 1 1 53 53 CYS H H 53 8.151 8.151 8.300 -0.149 17824 540 1 2 . 1 1 54 54 ILE N N 54 116.790 116.790 120.738 -3.948 17824 541 1 2 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.689 0.246 17824 542 1 2 . 1 1 54 54 ILE C C 54 176.615 176.615 177.763 -1.148 17824 543 1 2 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.785 -1.879 17824 544 1 2 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.347 1.687 17824 545 1 2 . 1 1 54 54 ILE H H 54 6.626 6.626 8.775 -2.149 17824 546 1 2 . 1 1 55 55 GLU N N 55 123.451 123.451 119.751 3.700 17824 547 1 2 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.175 -0.021 17824 548 1 2 . 1 1 55 55 GLU C C 55 179.075 179.075 178.754 0.321 17824 549 1 2 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.879 0.902 17824 550 1 2 . 1 1 55 55 GLU CB C 55 30.464 30.464 28.585 1.879 17824 551 1 2 . 1 1 55 55 GLU H H 55 7.642 7.642 8.681 -1.039 17824 552 1 2 . 1 1 56 56 CYS N N 56 124.445 124.445 117.891 6.554 17824 553 1 2 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.157 -0.169 17824 554 1 2 . 1 1 56 56 CYS C C 56 178.290 178.290 177.042 1.248 17824 555 1 2 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.898 2.080 17824 556 1 2 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.231 3.421 17824 557 1 2 . 1 1 56 56 CYS H H 56 8.676 8.676 8.197 0.479 17824 558 1 2 . 1 1 57 57 GLN N N 57 117.736 117.736 120.049 -2.313 17824 559 1 2 . 1 1 57 57 GLN HA H 57 3.892 3.892 3.992 -0.100 17824 560 1 2 . 1 1 57 57 GLN C C 57 177.428 177.428 177.350 0.078 17824 561 1 2 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.607 0.265 17824 562 1 2 . 1 1 57 57 GLN CB C 57 28.828 28.828 28.038 0.790 17824 563 1 2 . 1 1 57 57 GLN H H 57 8.419 8.419 8.497 -0.078 17824 564 1 2 . 1 1 58 58 ALA N N 58 119.578 119.578 122.042 -2.464 17824 565 1 2 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.097 0.180 17824 566 1 2 . 1 1 58 58 ALA C C 58 178.087 178.087 178.951 -0.864 17824 567 1 2 . 1 1 58 58 ALA CA C 58 53.522 53.522 54.098 -0.576 17824 568 1 2 . 1 1 58 58 ALA CB C 58 19.017 19.017 19.138 -0.121 17824 569 1 2 . 1 1 58 58 ALA H H 58 7.335 7.335 7.483 -0.148 17824 570 1 2 . 1 1 59 59 ASN N N 59 116.209 116.209 115.184 1.025 17824 571 1 2 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.509 0.309 17824 572 1 2 . 1 1 59 59 ASN C C 59 175.372 175.372 175.570 -0.198 17824 573 1 2 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.980 -2.322 17824 574 1 2 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.509 -0.400 17824 575 1 2 . 1 1 59 59 ASN H H 59 7.617 7.617 8.324 -0.707 17824 576 1 2 . 1 1 60 60 GLN N N 60 120.078 120.078 115.338 4.740 17824 577 1 2 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.982 0.230 17824 578 1 2 . 1 1 60 60 GLN C C 60 176.218 176.218 174.447 1.771 17824 579 1 2 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.105 1.205 17824 580 1 2 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.504 2.146 17824 581 1 2 . 1 1 60 60 GLN H H 60 8.116 8.116 8.174 -0.058 17824 582 1 2 . 1 1 61 61 ALA N N 61 122.298 122.298 125.828 -3.530 17824 583 1 2 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.437 -0.119 17824 584 1 2 . 1 1 61 61 ALA C C 61 177.964 177.964 177.635 0.329 17824 585 1 2 . 1 1 61 61 ALA CA C 61 53.440 53.440 51.438 2.002 17824 586 1 2 . 1 1 61 61 ALA CB C 61 18.652 18.652 20.333 -1.681 17824 587 1 2 . 1 1 61 61 ALA H H 61 8.345 8.345 8.363 -0.018 17824 588 1 2 . 1 1 62 62 SER N N 62 113.232 113.232 116.271 -3.039 17824 589 1 2 . 1 1 62 62 SER HA H 62 4.454 4.454 4.401 0.053 17824 590 1 2 . 1 1 62 62 SER C C 62 174.747 174.747 173.738 1.009 17824 591 1 2 . 1 1 62 62 SER CA C 62 58.197 58.197 58.456 -0.259 17824 592 1 2 . 1 1 62 62 SER CB C 62 63.906 63.906 61.416 2.490 17824 593 1 2 . 1 1 62 62 SER H H 62 8.011 8.011 8.522 -0.511 17824 594 1 2 . 1 1 63 63 ALA N N 63 125.573 125.573 127.953 -2.380 17824 595 1 2 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.616 -0.433 17824 596 1 2 . 1 1 63 63 ALA C C 63 178.091 178.091 175.991 2.100 17824 597 1 2 . 1 1 63 63 ALA CA C 63 53.006 53.006 51.990 1.016 17824 598 1 2 . 1 1 63 63 ALA CB C 63 18.756 18.756 21.260 -2.504 17824 599 1 2 . 1 1 63 63 ALA H H 63 8.323 8.323 7.787 0.536 17824 600 1 2 . 1 1 64 64 THR N N 64 111.006 111.006 115.628 -4.622 17824 601 1 2 . 1 1 64 64 THR HA H 64 4.495 4.495 4.349 0.146 17824 602 1 2 . 1 1 64 64 THR C C 64 175.346 175.346 175.337 0.009 17824 603 1 2 . 1 1 64 64 THR CA C 64 61.903 61.903 63.128 -1.225 17824 604 1 2 . 1 1 64 64 THR CB C 64 69.903 69.903 69.219 0.684 17824 605 1 2 . 1 1 64 64 THR H H 64 8.071 8.071 8.602 -0.531 17824 606 1 2 . 1 1 65 65 SER N N 65 118.037 118.037 120.456 -2.419 17824 607 1 2 . 1 1 65 65 SER HA H 65 4.524 4.524 4.506 0.018 17824 608 1 2 . 1 1 65 65 SER C C 65 175.131 175.131 175.673 -0.542 17824 609 1 2 . 1 1 65 65 SER CA C 65 59.795 59.795 60.115 -0.320 17824 610 1 2 . 1 1 65 65 SER CB C 65 63.833 63.833 63.572 0.261 17824 611 1 2 . 1 1 65 65 SER H H 65 8.328 8.328 8.559 -0.231 17824 612 1 2 . 1 1 66 66 GLU N N 66 121.505 121.505 119.953 1.552 17824 613 1 2 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.157 0.157 17824 614 1 2 . 1 1 66 66 GLU C C 66 176.394 176.394 176.181 0.213 17824 615 1 2 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.588 -1.593 17824 616 1 2 . 1 1 66 66 GLU CB C 66 30.310 30.310 29.975 0.335 17824 617 1 2 . 1 1 66 66 GLU H H 66 8.368 8.368 8.523 -0.155 17824 618 1 2 . 1 1 67 67 GLU N N 67 119.409 119.409 113.037 6.372 17824 619 1 2 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.588 -0.297 17824 620 1 2 . 1 1 67 67 GLU C C 67 175.079 175.079 175.258 -0.179 17824 621 1 2 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.710 1.770 17824 622 1 2 . 1 1 67 67 GLU CB C 67 29.931 29.931 31.090 -1.159 17824 623 1 2 . 1 1 67 67 GLU H H 67 8.074 8.074 7.887 0.187 17824 624 1 2 . 1 1 68 68 CYS N N 68 126.937 126.937 123.982 2.955 17824 625 1 2 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.467 -0.179 17824 626 1 2 . 1 1 68 68 CYS C C 68 174.423 174.423 173.999 0.424 17824 627 1 2 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.675 -0.866 17824 628 1 2 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.151 0.519 17824 629 1 2 . 1 1 68 68 CYS H H 68 8.340 8.340 8.392 -0.052 17824 630 1 2 . 1 1 69 69 THR N N 69 116.442 116.442 110.346 6.096 17824 631 1 2 . 1 1 69 69 THR HA H 69 4.891 4.891 4.525 0.366 17824 632 1 2 . 1 1 69 69 THR C C 69 175.561 175.561 172.933 2.628 17824 633 1 2 . 1 1 69 69 THR CA C 69 60.817 60.817 61.004 -0.187 17824 634 1 2 . 1 1 69 69 THR CB C 69 71.654 71.654 71.777 -0.123 17824 635 1 2 . 1 1 69 69 THR H H 69 7.497 7.497 7.540 -0.043 17824 636 1 2 . 1 1 70 70 VAL N N 70 123.637 123.637 124.255 -0.618 17824 637 1 2 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.791 -0.456 17824 638 1 2 . 1 1 70 70 VAL C C 70 174.368 174.368 172.901 1.467 17824 639 1 2 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.451 2.491 17824 640 1 2 . 1 1 70 70 VAL CB C 70 33.897 33.897 35.975 -2.078 17824 641 1 2 . 1 1 70 70 VAL H H 70 8.862 8.862 8.839 0.023 17824 642 1 2 . 1 1 71 71 ALA N N 71 128.540 128.540 127.896 0.644 17824 643 1 2 . 1 1 71 71 ALA HA H 71 5.286 5.286 5.076 0.210 17824 644 1 2 . 1 1 71 71 ALA C C 71 174.520 174.520 175.453 -0.933 17824 645 1 2 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.620 0.152 17824 646 1 2 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.890 1.085 17824 647 1 2 . 1 1 71 71 ALA H H 71 9.247 9.247 9.060 0.187 17824 648 1 2 . 1 1 72 72 TRP N N 72 120.167 120.167 122.197 -2.030 17824 649 1 2 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.305 0.115 17824 650 1 2 . 1 1 72 72 TRP C C 72 177.182 177.182 176.816 0.366 17824 651 1 2 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.356 1.407 17824 652 1 2 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.988 0.642 17824 653 1 2 . 1 1 72 72 TRP H H 72 9.065 9.065 9.218 -0.153 17824 654 1 2 . 1 1 73 73 GLY N N 73 110.755 110.755 108.791 1.964 17824 655 1 2 . 1 1 73 73 GLY C C 73 177.914 177.914 174.972 2.942 17824 656 1 2 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.296 0.871 17824 657 1 2 . 1 1 73 73 GLY H H 73 9.128 9.128 9.660 -0.532 17824 658 1 2 . 1 1 74 74 VAL N N 74 122.747 122.747 124.058 -1.311 17824 659 1 2 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.994 -0.158 17824 660 1 2 . 1 1 74 74 VAL C C 74 176.014 176.014 177.152 -1.138 17824 661 1 2 . 1 1 74 74 VAL CA C 74 64.993 64.993 64.505 0.488 17824 662 1 2 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.271 0.449 17824 663 1 2 . 1 1 74 74 VAL H H 74 8.299 8.299 8.108 0.191 17824 664 1 2 . 1 1 75 75 CYS N N 75 116.720 116.720 114.338 2.382 17824 665 1 2 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.357 -0.062 17824 666 1 2 . 1 1 75 75 CYS C C 75 174.359 174.359 174.741 -0.382 17824 667 1 2 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.621 0.596 17824 668 1 2 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.117 4.584 17824 669 1 2 . 1 1 75 75 CYS H H 75 7.567 7.567 8.128 -0.561 17824 670 1 2 . 1 1 76 76 ASN N N 76 114.522 114.522 118.657 -4.135 17824 671 1 2 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.276 0.158 17824 672 1 2 . 1 1 76 76 ASN C C 76 173.726 173.726 173.439 0.287 17824 673 1 2 . 1 1 76 76 ASN CA C 76 55.652 55.652 53.956 1.696 17824 674 1 2 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.653 0.295 17824 675 1 2 . 1 1 76 76 ASN H H 76 8.060 8.060 8.040 0.020 17824 676 1 2 . 1 1 77 77 HIS N N 77 117.754 117.754 116.904 0.850 17824 677 1 2 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.758 -0.041 17824 678 1 2 . 1 1 77 77 HIS C C 77 172.650 172.650 173.265 -0.615 17824 679 1 2 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.218 3.608 17824 680 1 2 . 1 1 77 77 HIS CB C 77 32.889 32.889 33.987 -1.098 17824 681 1 2 . 1 1 77 77 HIS H H 77 7.797 7.797 7.613 0.184 17824 682 1 2 . 1 1 78 78 ALA N N 78 122.889 122.889 122.560 0.329 17824 683 1 2 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.451 -0.502 17824 684 1 2 . 1 1 78 78 ALA C C 78 174.873 174.873 174.954 -0.081 17824 685 1 2 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.473 -1.944 17824 686 1 2 . 1 1 78 78 ALA CB C 78 20.077 20.077 22.044 -1.967 17824 687 1 2 . 1 1 78 78 ALA H H 78 7.811 7.811 8.275 -0.464 17824 688 1 2 . 1 1 79 79 PHE N N 79 113.618 113.618 119.659 -6.041 17824 689 1 2 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.735 -0.036 17824 690 1 2 . 1 1 79 79 PHE C C 79 176.138 176.138 174.508 1.630 17824 691 1 2 . 1 1 79 79 PHE CA C 79 55.349 55.349 57.031 -1.682 17824 692 1 2 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.301 2.285 17824 693 1 2 . 1 1 79 79 PHE H H 79 8.377 8.377 8.960 -0.583 17824 694 1 2 . 1 1 80 80 HIS N N 80 118.823 118.823 120.485 -1.662 17824 695 1 2 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.801 0.028 17824 696 1 2 . 1 1 80 80 HIS C C 80 177.268 177.268 176.456 0.812 17824 697 1 2 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.441 4.508 17824 698 1 2 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.693 -0.958 17824 699 1 2 . 1 1 80 80 HIS H H 80 8.429 8.429 8.436 -0.007 17824 700 1 2 . 1 1 81 81 PHE N N 81 129.040 129.040 126.634 2.406 17824 701 1 2 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.209 0.130 17824 702 1 2 . 1 1 81 81 PHE C C 81 178.911 178.911 176.767 2.144 17824 703 1 2 . 1 1 81 81 PHE CA C 81 61.838 61.838 61.929 -0.091 17824 704 1 2 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.417 -0.361 17824 705 1 2 . 1 1 81 81 PHE H H 81 9.881 9.881 8.813 1.068 17824 706 1 2 . 1 1 82 82 HIS N N 82 120.611 120.611 118.830 1.781 17824 707 1 2 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.052 0.234 17824 708 1 2 . 1 1 82 82 HIS C C 82 177.694 177.694 177.266 0.428 17824 709 1 2 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.808 -0.904 17824 710 1 2 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.834 2.999 17824 711 1 2 . 1 1 82 82 HIS H H 82 10.457 10.457 8.178 2.279 17824 712 1 2 . 1 1 83 83 CYS N N 83 117.628 117.628 117.546 0.082 17824 713 1 2 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.088 0.066 17824 714 1 2 . 1 1 83 83 CYS C C 83 177.768 177.768 177.029 0.739 17824 715 1 2 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.140 0.828 17824 716 1 2 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.280 2.624 17824 717 1 2 . 1 1 83 83 CYS H H 83 6.933 6.933 8.291 -1.358 17824 718 1 2 . 1 1 84 84 ILE N N 84 119.139 119.139 120.604 -1.465 17824 719 1 2 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.442 0.400 17824 720 1 2 . 1 1 84 84 ILE C C 84 175.705 175.705 177.128 -1.423 17824 721 1 2 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.181 -3.304 17824 722 1 2 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.560 0.516 17824 723 1 2 . 1 1 84 84 ILE H H 84 8.290 8.290 8.812 -0.522 17824 724 1 2 . 1 1 85 85 SER N N 85 118.224 118.224 115.885 2.339 17824 725 1 2 . 1 1 85 85 SER HA H 85 3.995 3.995 3.972 0.023 17824 726 1 2 . 1 1 85 85 SER C C 85 176.097 176.097 176.729 -0.632 17824 727 1 2 . 1 1 85 85 SER CA C 85 62.841 62.841 61.954 0.887 17824 728 1 2 . 1 1 85 85 SER CB C 85 62.009 62.009 62.590 -0.581 17824 729 1 2 . 1 1 85 85 SER H H 85 8.157 8.157 8.100 0.057 17824 730 1 2 . 1 1 86 86 ARG N N 86 120.496 120.496 120.609 -0.113 17824 731 1 2 . 1 1 86 86 ARG HA H 86 4.024 4.024 3.999 0.025 17824 732 1 2 . 1 1 86 86 ARG C C 86 179.382 179.382 178.341 1.041 17824 733 1 2 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.657 1.208 17824 734 1 2 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.526 0.334 17824 735 1 2 . 1 1 86 86 ARG H H 86 7.174 7.174 7.631 -0.457 17824 736 1 2 . 1 1 87 87 TRP N N 87 123.951 123.951 121.524 2.427 17824 737 1 2 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.215 -0.056 17824 738 1 2 . 1 1 87 87 TRP C C 87 177.572 177.572 177.916 -0.344 17824 739 1 2 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.405 0.519 17824 740 1 2 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.424 -0.178 17824 741 1 2 . 1 1 87 87 TRP H H 87 7.981 7.981 8.273 -0.292 17824 742 1 2 . 1 1 88 88 LEU N N 88 116.707 116.707 117.886 -1.179 17824 743 1 2 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.162 0.601 17824 744 1 2 . 1 1 88 88 LEU C C 88 178.008 178.008 179.052 -1.044 17824 745 1 2 . 1 1 88 88 LEU CA C 88 55.728 55.728 57.023 -1.295 17824 746 1 2 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.797 0.399 17824 747 1 2 . 1 1 88 88 LEU H H 88 8.246 8.246 8.265 -0.019 17824 748 1 2 . 1 1 89 89 LYS N N 89 117.240 117.240 117.417 -0.177 17824 749 1 2 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.014 0.067 17824 750 1 2 . 1 1 89 89 LYS C C 89 178.385 178.385 177.987 0.398 17824 751 1 2 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.777 0.134 17824 752 1 2 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.350 -0.046 17824 753 1 2 . 1 1 89 89 LYS H H 89 7.309 7.309 7.564 -0.255 17824 754 1 2 . 1 1 90 90 THR N N 90 106.446 106.446 110.999 -4.553 17824 755 1 2 . 1 1 90 90 THR HA H 90 4.383 4.383 4.173 0.210 17824 756 1 2 . 1 1 90 90 THR C C 90 173.919 173.919 174.244 -0.325 17824 757 1 2 . 1 1 90 90 THR CA C 90 62.069 62.069 62.347 -0.278 17824 758 1 2 . 1 1 90 90 THR CB C 90 70.133 70.133 69.585 0.548 17824 759 1 2 . 1 1 90 90 THR H H 90 7.452 7.452 7.382 0.070 17824 760 1 2 . 1 1 91 91 ARG N N 91 121.616 121.616 119.627 1.989 17824 761 1 2 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.434 -0.029 17824 762 1 2 . 1 1 91 91 ARG C C 91 174.754 174.754 175.206 -0.452 17824 763 1 2 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.457 1.376 17824 764 1 2 . 1 1 91 91 ARG CB C 91 33.885 33.885 31.874 2.011 17824 765 1 2 . 1 1 91 91 ARG H H 91 7.426 7.426 7.854 -0.428 17824 766 1 2 . 1 1 92 92 GLN N N 92 118.161 118.161 120.333 -2.172 17824 767 1 2 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.290 0.418 17824 768 1 2 . 1 1 92 92 GLN C C 92 176.437 176.437 175.108 1.329 17824 769 1 2 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.364 -1.581 17824 770 1 2 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.960 -1.002 17824 771 1 2 . 1 1 92 92 GLN H H 92 8.526 8.526 8.604 -0.078 17824 772 1 2 . 1 1 93 93 VAL N N 93 109.557 109.557 110.573 -1.016 17824 773 1 2 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.911 0.154 17824 774 1 2 . 1 1 93 93 VAL C C 93 174.806 174.806 175.400 -0.594 17824 775 1 2 . 1 1 93 93 VAL CA C 93 58.348 58.348 58.287 0.061 17824 776 1 2 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.959 0.349 17824 777 1 2 . 1 1 93 93 VAL H H 93 7.083 7.083 7.170 -0.087 17824 778 1 2 . 1 1 94 94 CYS N N 94 123.889 123.889 122.671 1.218 17824 779 1 2 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.615 -0.111 17824 780 1 2 . 1 1 94 94 CYS CA C 94 56.860 56.860 60.606 -3.746 17824 781 1 2 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.543 4.222 17824 782 1 2 . 1 1 94 94 CYS H H 94 9.020 9.020 9.322 -0.302 17824 783 1 2 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.247 -0.167 17824 784 1 2 . 1 1 95 95 PRO C C 95 177.037 177.037 176.584 0.453 17824 785 1 2 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.994 -0.996 17824 786 1 2 . 1 1 95 95 PRO CB C 95 31.662 31.662 31.266 0.396 17824 787 1 2 . 1 1 96 96 LEU N N 96 118.497 118.497 115.904 2.593 17824 788 1 2 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.740 -0.424 17824 789 1 2 . 1 1 96 96 LEU C C 96 177.797 177.797 178.359 -0.562 17824 790 1 2 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.290 -0.478 17824 791 1 2 . 1 1 96 96 LEU CB C 96 43.074 43.074 42.001 1.073 17824 792 1 2 . 1 1 96 96 LEU H H 96 8.798 8.798 7.613 1.185 17824 793 1 2 . 1 1 97 97 ASP N N 97 114.958 114.958 118.478 -3.520 17824 794 1 2 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.659 0.293 17824 795 1 2 . 1 1 97 97 ASP C C 97 175.946 175.946 176.453 -0.507 17824 796 1 2 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.441 -0.729 17824 797 1 2 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.928 2.256 17824 798 1 2 . 1 1 97 97 ASP H H 97 7.396 7.396 8.213 -0.817 17824 799 1 2 . 1 1 98 98 ASN N N 98 115.407 115.407 114.950 0.457 17824 800 1 2 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.554 -0.130 17824 801 1 2 . 1 1 98 98 ASN C C 98 173.934 173.934 174.018 -0.084 17824 802 1 2 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.503 0.799 17824 803 1 2 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.644 1.352 17824 804 1 2 . 1 1 98 98 ASN H H 98 8.332 8.332 8.161 0.171 17824 805 1 2 . 1 1 99 99 ARG N N 99 119.005 119.005 118.258 0.747 17824 806 1 2 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.603 -0.131 17824 807 1 2 . 1 1 99 99 ARG C C 99 176.631 176.631 175.358 1.273 17824 808 1 2 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.434 1.387 17824 809 1 2 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.542 -1.572 17824 810 1 2 . 1 1 99 99 ARG H H 99 8.825 8.825 7.936 0.889 17824 811 1 2 . 1 1 100 100 GLU N N 100 122.676 122.676 122.726 -0.050 17824 812 1 2 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.512 -0.362 17824 813 1 2 . 1 1 100 100 GLU C C 100 176.647 176.647 176.261 0.386 17824 814 1 2 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.866 0.482 17824 815 1 2 . 1 1 100 100 GLU CB C 100 29.734 29.734 29.662 0.072 17824 816 1 2 . 1 1 100 100 GLU H H 100 8.869 8.869 8.802 0.067 17824 817 1 2 . 1 1 101 101 TRP N N 101 126.288 126.288 128.760 -2.472 17824 818 1 2 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.664 -0.061 17824 819 1 2 . 1 1 101 101 TRP C C 101 175.786 175.786 175.578 0.208 17824 820 1 2 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.706 0.229 17824 821 1 2 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.671 -0.913 17824 822 1 2 . 1 1 101 101 TRP H H 101 8.437 8.437 8.111 0.326 17824 823 1 2 . 1 1 102 102 GLU N N 102 127.912 127.912 123.711 4.201 17824 824 1 2 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.303 -0.031 17824 825 1 2 . 1 1 102 102 GLU C C 102 174.791 174.791 174.574 0.217 17824 826 1 2 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.139 0.585 17824 827 1 2 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.321 -0.066 17824 828 1 2 . 1 1 102 102 GLU H H 102 7.319 7.319 7.547 -0.228 17824 829 1 2 . 1 1 103 103 PHE N N 103 122.445 122.445 122.516 -0.071 17824 830 1 2 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.799 -0.431 17824 831 1 2 . 1 1 103 103 PHE C C 103 176.419 176.419 175.956 0.463 17824 832 1 2 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.588 1.482 17824 833 1 2 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.545 0.329 17824 834 1 2 . 1 1 103 103 PHE H H 103 8.827 8.827 8.733 0.094 17824 835 1 2 . 1 1 104 104 GLN N N 104 122.896 122.896 127.319 -4.423 17824 836 1 2 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.435 -0.149 17824 837 1 2 . 1 1 104 104 GLN C C 104 175.487 175.487 175.105 0.382 17824 838 1 2 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.357 -1.087 17824 839 1 2 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.362 0.184 17824 840 1 2 . 1 1 104 104 GLN H H 104 9.119 9.119 8.895 0.224 17824 841 1 2 . 1 1 105 105 LYS N N 105 121.917 121.917 116.549 5.368 17824 842 1 2 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.671 -0.235 17824 843 1 2 . 1 1 105 105 LYS C C 105 175.219 175.219 174.183 1.036 17824 844 1 2 . 1 1 105 105 LYS CA C 105 56.282 56.282 56.089 0.193 17824 845 1 2 . 1 1 105 105 LYS CB C 105 33.804 33.804 36.220 -2.416 17824 846 1 2 . 1 1 105 105 LYS H H 105 8.308 8.308 7.902 0.406 17824 847 1 2 . 1 1 106 106 TYR N N 106 121.451 121.451 120.230 1.221 17824 848 1 2 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.837 -0.023 17824 849 1 2 . 1 1 106 106 TYR C C 106 176.017 176.017 174.232 1.785 17824 850 1 2 . 1 1 106 106 TYR CA C 106 57.828 57.828 56.184 1.644 17824 851 1 2 . 1 1 106 106 TYR CB C 106 39.606 39.606 41.199 -1.593 17824 852 1 2 . 1 1 106 106 TYR H H 106 8.431 8.431 8.076 0.355 17824 853 1 2 . 1 1 107 107 GLY N N 107 110.965 110.965 109.482 1.483 17824 854 1 2 . 1 1 107 107 GLY C C 107 172.723 172.723 173.772 -1.049 17824 855 1 2 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.378 0.904 17824 856 1 2 . 1 1 107 107 GLY H H 107 8.395 8.395 8.154 0.241 17824 857 1 3 . 1 1 35 35 TRP N N 35 118.681 118.681 118.483 0.198 17824 858 1 3 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.473 0.170 17824 859 1 3 . 1 1 35 35 TRP C C 35 175.833 175.833 176.665 -0.832 17824 860 1 3 . 1 1 35 35 TRP CA C 35 56.900 56.900 57.401 -0.501 17824 861 1 3 . 1 1 35 35 TRP CB C 35 29.375 29.375 27.237 2.138 17824 862 1 3 . 1 1 35 35 TRP H H 35 7.831 7.831 8.215 -0.384 17824 863 1 3 . 1 1 36 36 ASP N N 36 121.178 121.178 116.789 4.389 17824 864 1 3 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.481 0.093 17824 865 1 3 . 1 1 36 36 ASP C C 36 175.821 175.821 176.281 -0.460 17824 866 1 3 . 1 1 36 36 ASP CA C 36 54.622 54.622 55.276 -0.654 17824 867 1 3 . 1 1 36 36 ASP CB C 36 41.150 41.150 40.514 0.636 17824 868 1 3 . 1 1 36 36 ASP H H 36 8.111 8.111 8.693 -0.582 17824 869 1 3 . 1 1 37 37 ILE N N 37 120.177 120.177 113.928 6.249 17824 870 1 3 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.300 -0.144 17824 871 1 3 . 1 1 37 37 ILE C C 37 175.817 175.817 175.381 0.436 17824 872 1 3 . 1 1 37 37 ILE CA C 37 61.638 61.638 60.989 0.649 17824 873 1 3 . 1 1 37 37 ILE CB C 37 39.034 39.034 37.645 1.389 17824 874 1 3 . 1 1 37 37 ILE H H 37 7.820 7.820 7.453 0.367 17824 875 1 3 . 1 1 38 38 VAL N N 38 124.844 124.844 122.666 2.178 17824 876 1 3 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.283 -0.123 17824 877 1 3 . 1 1 38 38 VAL C C 38 176.102 176.102 176.693 -0.591 17824 878 1 3 . 1 1 38 38 VAL CA C 38 62.055 62.055 61.434 0.621 17824 879 1 3 . 1 1 38 38 VAL CB C 38 32.764 32.764 33.639 -0.875 17824 880 1 3 . 1 1 38 38 VAL H H 38 8.203 8.203 7.483 0.720 17824 881 1 3 . 1 1 39 39 VAL N N 39 123.813 123.813 123.625 0.188 17824 882 1 3 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.818 0.320 17824 883 1 3 . 1 1 39 39 VAL C C 39 174.919 174.919 176.004 -1.085 17824 884 1 3 . 1 1 39 39 VAL CA C 39 62.605 62.605 63.979 -1.374 17824 885 1 3 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.686 1.139 17824 886 1 3 . 1 1 39 39 VAL H H 39 8.163 8.163 8.720 -0.557 17824 887 1 3 . 1 1 40 40 ASP N N 40 122.074 122.074 119.475 2.599 17824 888 1 3 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.588 -0.120 17824 889 1 3 . 1 1 40 40 ASP C C 40 174.408 174.408 175.056 -0.648 17824 890 1 3 . 1 1 40 40 ASP CA C 40 54.389 54.389 55.291 -0.902 17824 891 1 3 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.522 0.633 17824 892 1 3 . 1 1 40 40 ASP H H 40 8.154 8.154 8.418 -0.264 17824 893 1 3 . 1 1 41 41 ASN N N 41 115.983 115.983 117.194 -1.211 17824 894 1 3 . 1 1 41 41 ASN HA H 41 4.762 4.762 5.119 -0.357 17824 895 1 3 . 1 1 41 41 ASN C C 41 174.643 174.643 173.601 1.042 17824 896 1 3 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.828 -0.501 17824 897 1 3 . 1 1 41 41 ASN CB C 41 40.384 40.384 42.224 -1.840 17824 898 1 3 . 1 1 41 41 ASN H H 41 7.901 7.901 7.777 0.124 17824 899 1 3 . 1 1 42 42 CYS N N 42 123.612 123.612 123.285 0.327 17824 900 1 3 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.539 -0.253 17824 901 1 3 . 1 1 42 42 CYS C C 42 176.756 176.756 175.508 1.248 17824 902 1 3 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.589 0.211 17824 903 1 3 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.744 4.029 17824 904 1 3 . 1 1 42 42 CYS H H 42 8.503 8.503 8.661 -0.158 17824 905 1 3 . 1 1 43 43 ALA N N 43 132.181 132.181 131.186 0.995 17824 906 1 3 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.283 -0.118 17824 907 1 3 . 1 1 43 43 ALA C C 43 177.706 177.706 178.679 -0.973 17824 908 1 3 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.559 -0.916 17824 909 1 3 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.558 0.853 17824 910 1 3 . 1 1 43 43 ALA H H 43 9.493 9.493 9.031 0.462 17824 911 1 3 . 1 1 44 44 ILE N N 44 116.079 116.079 117.198 -1.119 17824 912 1 3 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.592 0.204 17824 913 1 3 . 1 1 44 44 ILE C C 44 176.208 176.208 176.203 0.005 17824 914 1 3 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.935 0.597 17824 915 1 3 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.875 1.217 17824 916 1 3 . 1 1 44 44 ILE H H 44 7.956 7.956 7.613 0.343 17824 917 1 3 . 1 1 45 45 CYS N N 45 116.456 116.456 112.864 3.592 17824 918 1 3 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.561 0.463 17824 919 1 3 . 1 1 45 45 CYS C C 45 175.747 175.747 174.988 0.759 17824 920 1 3 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.232 1.949 17824 921 1 3 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.095 3.783 17824 922 1 3 . 1 1 45 45 CYS H H 45 7.818 7.818 7.601 0.217 17824 923 1 3 . 1 1 46 46 ARG N N 46 117.125 117.125 121.467 -4.342 17824 924 1 3 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.076 -0.071 17824 925 1 3 . 1 1 46 46 ARG C C 46 175.539 175.539 174.490 1.049 17824 926 1 3 . 1 1 46 46 ARG CA C 46 59.784 59.784 57.161 2.623 17824 927 1 3 . 1 1 46 46 ARG CB C 46 26.594 26.594 28.031 -1.437 17824 928 1 3 . 1 1 46 46 ARG H H 46 8.511 8.511 8.130 0.381 17824 929 1 3 . 1 1 47 47 ASN N N 47 121.377 121.377 115.705 5.672 17824 930 1 3 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.999 0.013 17824 931 1 3 . 1 1 47 47 ASN C C 47 175.537 175.537 173.707 1.830 17824 932 1 3 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.486 -2.464 17824 933 1 3 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.528 -2.513 17824 934 1 3 . 1 1 47 47 ASN H H 47 8.720 8.720 7.650 1.070 17824 935 1 3 . 1 1 48 48 HIS N N 48 122.235 122.235 118.570 3.665 17824 936 1 3 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.474 0.025 17824 937 1 3 . 1 1 48 48 HIS C C 48 177.722 177.722 176.558 1.164 17824 938 1 3 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.860 1.012 17824 939 1 3 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.312 -0.592 17824 940 1 3 . 1 1 48 48 HIS H H 48 9.226 9.226 8.705 0.521 17824 941 1 3 . 1 1 49 49 ILE N N 49 126.643 126.643 123.812 2.831 17824 942 1 3 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.698 -0.298 17824 943 1 3 . 1 1 49 49 ILE CA C 49 61.488 61.488 63.265 -1.777 17824 944 1 3 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.477 0.494 17824 945 1 3 . 1 1 49 49 ILE H H 49 7.991 7.991 7.716 0.275 17824 946 1 3 . 1 1 50 50 MET HA H 50 4.268 4.268 4.905 -0.637 17824 947 1 3 . 1 1 50 50 MET C C 50 177.236 177.236 175.073 2.163 17824 948 1 3 . 1 1 50 50 MET CA C 50 54.795 54.795 53.534 1.261 17824 949 1 3 . 1 1 50 50 MET CB C 50 31.357 31.357 32.404 -1.047 17824 950 1 3 . 1 1 51 51 ASP N N 51 121.143 121.143 122.096 -0.953 17824 951 1 3 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.111 -0.098 17824 952 1 3 . 1 1 51 51 ASP C C 51 176.770 176.770 174.822 1.948 17824 953 1 3 . 1 1 51 51 ASP CA C 51 50.103 50.103 53.574 -3.471 17824 954 1 3 . 1 1 51 51 ASP CB C 51 43.285 43.285 43.376 -0.091 17824 955 1 3 . 1 1 51 51 ASP H H 51 7.854 7.854 7.959 -0.105 17824 956 1 3 . 1 1 52 52 LEU N N 52 119.501 119.501 121.057 -1.556 17824 957 1 3 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.371 -0.025 17824 958 1 3 . 1 1 52 52 LEU C C 52 177.049 177.049 176.746 0.303 17824 959 1 3 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.265 0.166 17824 960 1 3 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.800 0.555 17824 961 1 3 . 1 1 52 52 LEU H H 52 8.484 8.484 8.499 -0.015 17824 962 1 3 . 1 1 53 53 CYS N N 53 120.790 120.790 118.302 2.488 17824 963 1 3 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.581 -0.735 17824 964 1 3 . 1 1 53 53 CYS C C 53 175.247 175.247 176.675 -1.428 17824 965 1 3 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.458 -0.627 17824 966 1 3 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.442 3.202 17824 967 1 3 . 1 1 53 53 CYS H H 53 8.151 8.151 8.233 -0.082 17824 968 1 3 . 1 1 54 54 ILE N N 54 116.790 116.790 120.779 -3.989 17824 969 1 3 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.707 0.228 17824 970 1 3 . 1 1 54 54 ILE C C 54 176.615 176.615 177.564 -0.949 17824 971 1 3 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.679 -1.773 17824 972 1 3 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.697 1.337 17824 973 1 3 . 1 1 54 54 ILE H H 54 6.626 6.626 8.838 -2.212 17824 974 1 3 . 1 1 55 55 GLU N N 55 123.451 123.451 119.618 3.833 17824 975 1 3 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.179 -0.025 17824 976 1 3 . 1 1 55 55 GLU C C 55 179.075 179.075 178.079 0.996 17824 977 1 3 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.641 1.140 17824 978 1 3 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.148 1.315 17824 979 1 3 . 1 1 55 55 GLU H H 55 7.642 7.642 8.551 -0.909 17824 980 1 3 . 1 1 56 56 CYS N N 56 124.445 124.445 117.956 6.489 17824 981 1 3 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.116 -0.128 17824 982 1 3 . 1 1 56 56 CYS C C 56 178.290 178.290 176.910 1.380 17824 983 1 3 . 1 1 56 56 CYS CA C 56 64.978 64.978 63.199 1.779 17824 984 1 3 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.097 3.555 17824 985 1 3 . 1 1 56 56 CYS H H 56 8.676 8.676 8.286 0.390 17824 986 1 3 . 1 1 57 57 GLN N N 57 117.736 117.736 119.547 -1.811 17824 987 1 3 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.031 -0.139 17824 988 1 3 . 1 1 57 57 GLN C C 57 177.428 177.428 177.754 -0.326 17824 989 1 3 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.385 0.487 17824 990 1 3 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.211 1.617 17824 991 1 3 . 1 1 57 57 GLN H H 57 8.419 8.419 8.002 0.417 17824 992 1 3 . 1 1 58 58 ALA N N 58 119.578 119.578 121.646 -2.068 17824 993 1 3 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.062 0.215 17824 994 1 3 . 1 1 58 58 ALA C C 58 178.087 178.087 179.641 -1.554 17824 995 1 3 . 1 1 58 58 ALA CA C 58 53.522 53.522 54.312 -0.790 17824 996 1 3 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.208 0.809 17824 997 1 3 . 1 1 58 58 ALA H H 58 7.335 7.335 7.951 -0.616 17824 998 1 3 . 1 1 59 59 ASN N N 59 116.209 116.209 115.474 0.735 17824 999 1 3 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.674 0.144 17824 1000 1 3 . 1 1 59 59 ASN C C 59 175.372 175.372 174.807 0.565 17824 1001 1 3 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.861 -2.203 17824 1002 1 3 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.116 -0.007 17824 1003 1 3 . 1 1 59 59 ASN H H 59 7.617 7.617 8.459 -0.842 17824 1004 1 3 . 1 1 60 60 GLN N N 60 120.078 120.078 112.710 7.368 17824 1005 1 3 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.990 0.222 17824 1006 1 3 . 1 1 60 60 GLN C C 60 176.218 176.218 174.645 1.573 17824 1007 1 3 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.182 1.128 17824 1008 1 3 . 1 1 60 60 GLN CB C 60 28.650 28.650 25.746 2.904 17824 1009 1 3 . 1 1 60 60 GLN H H 60 8.116 8.116 7.235 0.881 17824 1010 1 3 . 1 1 61 61 ALA N N 61 122.298 122.298 122.316 -0.018 17824 1011 1 3 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.115 0.203 17824 1012 1 3 . 1 1 61 61 ALA C C 61 177.964 177.964 176.680 1.284 17824 1013 1 3 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.812 0.627 17824 1014 1 3 . 1 1 61 61 ALA CB C 61 18.652 18.652 18.322 0.330 17824 1015 1 3 . 1 1 61 61 ALA H H 61 8.345 8.345 8.194 0.151 17824 1016 1 3 . 1 1 62 62 SER N N 62 113.232 113.232 120.476 -7.244 17824 1017 1 3 . 1 1 62 62 SER HA H 62 4.454 4.454 4.648 -0.194 17824 1018 1 3 . 1 1 62 62 SER C C 62 174.747 174.747 175.824 -1.077 17824 1019 1 3 . 1 1 62 62 SER CA C 62 58.197 58.197 59.151 -0.954 17824 1020 1 3 . 1 1 62 62 SER CB C 62 63.906 63.906 63.758 0.148 17824 1021 1 3 . 1 1 62 62 SER H H 62 8.011 8.011 8.407 -0.396 17824 1022 1 3 . 1 1 63 63 ALA N N 63 125.573 125.573 125.138 0.435 17824 1023 1 3 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.254 -0.071 17824 1024 1 3 . 1 1 63 63 ALA C C 63 178.091 178.091 177.268 0.823 17824 1025 1 3 . 1 1 63 63 ALA CA C 63 53.006 53.006 54.357 -1.351 17824 1026 1 3 . 1 1 63 63 ALA CB C 63 18.756 18.756 18.913 -0.157 17824 1027 1 3 . 1 1 63 63 ALA H H 63 8.323 8.323 7.849 0.474 17824 1028 1 3 . 1 1 64 64 THR N N 64 111.006 111.006 106.940 4.066 17824 1029 1 3 . 1 1 64 64 THR HA H 64 4.495 4.495 4.485 0.010 17824 1030 1 3 . 1 1 64 64 THR C C 64 175.346 175.346 173.895 1.451 17824 1031 1 3 . 1 1 64 64 THR CA C 64 61.903 61.903 61.840 0.063 17824 1032 1 3 . 1 1 64 64 THR CB C 64 69.903 69.903 70.903 -1.000 17824 1033 1 3 . 1 1 64 64 THR H H 64 8.071 8.071 7.444 0.627 17824 1034 1 3 . 1 1 65 65 SER N N 65 118.037 118.037 120.270 -2.233 17824 1035 1 3 . 1 1 65 65 SER HA H 65 4.524 4.524 4.504 0.020 17824 1036 1 3 . 1 1 65 65 SER C C 65 175.131 175.131 176.147 -1.016 17824 1037 1 3 . 1 1 65 65 SER CA C 65 59.795 59.795 59.691 0.104 17824 1038 1 3 . 1 1 65 65 SER CB C 65 63.833 63.833 63.615 0.218 17824 1039 1 3 . 1 1 65 65 SER H H 65 8.328 8.328 8.754 -0.426 17824 1040 1 3 . 1 1 66 66 GLU N N 66 121.505 121.505 120.693 0.812 17824 1041 1 3 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.151 0.163 17824 1042 1 3 . 1 1 66 66 GLU C C 66 176.394 176.394 176.255 0.139 17824 1043 1 3 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.741 -1.746 17824 1044 1 3 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.029 0.281 17824 1045 1 3 . 1 1 66 66 GLU H H 66 8.368 8.368 8.517 -0.149 17824 1046 1 3 . 1 1 67 67 GLU N N 67 119.409 119.409 112.957 6.452 17824 1047 1 3 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.655 -0.364 17824 1048 1 3 . 1 1 67 67 GLU C C 67 175.079 175.079 175.182 -0.103 17824 1049 1 3 . 1 1 67 67 GLU CA C 67 56.480 56.480 55.225 1.255 17824 1050 1 3 . 1 1 67 67 GLU CB C 67 29.931 29.931 29.605 0.326 17824 1051 1 3 . 1 1 67 67 GLU H H 67 8.074 8.074 7.963 0.111 17824 1052 1 3 . 1 1 68 68 CYS N N 68 126.937 126.937 125.021 1.916 17824 1053 1 3 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.672 -0.384 17824 1054 1 3 . 1 1 68 68 CYS C C 68 174.423 174.423 174.413 0.010 17824 1055 1 3 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.573 -0.764 17824 1056 1 3 . 1 1 68 68 CYS CB C 68 28.670 28.670 27.881 0.789 17824 1057 1 3 . 1 1 68 68 CYS H H 68 8.340 8.340 8.852 -0.512 17824 1058 1 3 . 1 1 69 69 THR N N 69 116.442 116.442 110.125 6.317 17824 1059 1 3 . 1 1 69 69 THR HA H 69 4.891 4.891 4.415 0.476 17824 1060 1 3 . 1 1 69 69 THR C C 69 175.561 175.561 172.430 3.131 17824 1061 1 3 . 1 1 69 69 THR CA C 69 60.817 60.817 62.222 -1.405 17824 1062 1 3 . 1 1 69 69 THR CB C 69 71.654 71.654 70.857 0.797 17824 1063 1 3 . 1 1 69 69 THR H H 69 7.497 7.497 7.655 -0.158 17824 1064 1 3 . 1 1 70 70 VAL N N 70 123.637 123.637 123.150 0.487 17824 1065 1 3 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.844 -0.509 17824 1066 1 3 . 1 1 70 70 VAL C C 70 174.368 174.368 173.149 1.219 17824 1067 1 3 . 1 1 70 70 VAL CA C 70 62.942 62.942 59.511 3.431 17824 1068 1 3 . 1 1 70 70 VAL CB C 70 33.897 33.897 35.432 -1.535 17824 1069 1 3 . 1 1 70 70 VAL H H 70 8.862 8.862 8.780 0.082 17824 1070 1 3 . 1 1 71 71 ALA N N 71 128.540 128.540 127.962 0.578 17824 1071 1 3 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.855 0.431 17824 1072 1 3 . 1 1 71 71 ALA C C 71 174.520 174.520 175.320 -0.800 17824 1073 1 3 . 1 1 71 71 ALA CA C 71 50.772 50.772 51.104 -0.332 17824 1074 1 3 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.827 1.148 17824 1075 1 3 . 1 1 71 71 ALA H H 71 9.247 9.247 9.091 0.156 17824 1076 1 3 . 1 1 72 72 TRP N N 72 120.167 120.167 122.487 -2.320 17824 1077 1 3 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.264 0.156 17824 1078 1 3 . 1 1 72 72 TRP C C 72 177.182 177.182 176.712 0.470 17824 1079 1 3 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.378 1.385 17824 1080 1 3 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.698 0.932 17824 1081 1 3 . 1 1 72 72 TRP H H 72 9.065 9.065 8.896 0.169 17824 1082 1 3 . 1 1 73 73 GLY N N 73 110.755 110.755 108.107 2.648 17824 1083 1 3 . 1 1 73 73 GLY C C 73 177.914 177.914 175.007 2.907 17824 1084 1 3 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.400 0.767 17824 1085 1 3 . 1 1 73 73 GLY H H 73 9.128 9.128 9.425 -0.297 17824 1086 1 3 . 1 1 74 74 VAL N N 74 122.747 122.747 125.366 -2.619 17824 1087 1 3 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.737 0.099 17824 1088 1 3 . 1 1 74 74 VAL C C 74 176.014 176.014 176.730 -0.716 17824 1089 1 3 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.252 -0.259 17824 1090 1 3 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.800 -0.080 17824 1091 1 3 . 1 1 74 74 VAL H H 74 8.299 8.299 8.433 -0.134 17824 1092 1 3 . 1 1 75 75 CYS N N 75 116.720 116.720 116.064 0.656 17824 1093 1 3 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.441 -0.146 17824 1094 1 3 . 1 1 75 75 CYS C C 75 174.359 174.359 175.476 -1.117 17824 1095 1 3 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.809 0.408 17824 1096 1 3 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.575 4.126 17824 1097 1 3 . 1 1 75 75 CYS H H 75 7.567 7.567 8.063 -0.496 17824 1098 1 3 . 1 1 76 76 ASN N N 76 114.522 114.522 118.973 -4.451 17824 1099 1 3 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.224 0.210 17824 1100 1 3 . 1 1 76 76 ASN C C 76 173.726 173.726 173.120 0.606 17824 1101 1 3 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.318 1.334 17824 1102 1 3 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.061 0.887 17824 1103 1 3 . 1 1 76 76 ASN H H 76 8.060 8.060 7.988 0.072 17824 1104 1 3 . 1 1 77 77 HIS N N 77 117.754 117.754 115.672 2.082 17824 1105 1 3 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.715 0.002 17824 1106 1 3 . 1 1 77 77 HIS C C 77 172.650 172.650 173.389 -0.739 17824 1107 1 3 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.456 3.370 17824 1108 1 3 . 1 1 77 77 HIS CB C 77 32.889 32.889 33.343 -0.454 17824 1109 1 3 . 1 1 77 77 HIS H H 77 7.797 7.797 7.689 0.108 17824 1110 1 3 . 1 1 78 78 ALA N N 78 122.889 122.889 123.179 -0.290 17824 1111 1 3 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.425 -0.476 17824 1112 1 3 . 1 1 78 78 ALA C C 78 174.873 174.873 174.888 -0.015 17824 1113 1 3 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.516 -1.987 17824 1114 1 3 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.773 -1.696 17824 1115 1 3 . 1 1 78 78 ALA H H 78 7.811 7.811 8.289 -0.478 17824 1116 1 3 . 1 1 79 79 PHE N N 79 113.618 113.618 120.282 -6.664 17824 1117 1 3 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.729 -0.030 17824 1118 1 3 . 1 1 79 79 PHE C C 79 176.138 176.138 174.644 1.494 17824 1119 1 3 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.795 -1.446 17824 1120 1 3 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.411 2.175 17824 1121 1 3 . 1 1 79 79 PHE H H 79 8.377 8.377 8.999 -0.622 17824 1122 1 3 . 1 1 80 80 HIS N N 80 118.823 118.823 120.450 -1.627 17824 1123 1 3 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.979 -0.150 17824 1124 1 3 . 1 1 80 80 HIS C C 80 177.268 177.268 176.604 0.664 17824 1125 1 3 . 1 1 80 80 HIS CA C 80 60.949 60.949 55.710 5.239 17824 1126 1 3 . 1 1 80 80 HIS CB C 80 29.735 29.735 31.105 -1.370 17824 1127 1 3 . 1 1 80 80 HIS H H 80 8.429 8.429 8.410 0.019 17824 1128 1 3 . 1 1 81 81 PHE N N 81 129.040 129.040 126.249 2.791 17824 1129 1 3 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.256 0.083 17824 1130 1 3 . 1 1 81 81 PHE C C 81 178.911 178.911 176.638 2.273 17824 1131 1 3 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.609 -0.771 17824 1132 1 3 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.337 -0.281 17824 1133 1 3 . 1 1 81 81 PHE H H 81 9.881 9.881 9.193 0.688 17824 1134 1 3 . 1 1 82 82 HIS N N 82 120.611 120.611 118.531 2.080 17824 1135 1 3 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.109 0.177 17824 1136 1 3 . 1 1 82 82 HIS C C 82 177.694 177.694 177.131 0.563 17824 1137 1 3 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.715 -0.811 17824 1138 1 3 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.955 2.878 17824 1139 1 3 . 1 1 82 82 HIS H H 82 10.457 10.457 8.551 1.906 17824 1140 1 3 . 1 1 83 83 CYS N N 83 117.628 117.628 117.730 -0.102 17824 1141 1 3 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.083 0.071 17824 1142 1 3 . 1 1 83 83 CYS C C 83 177.768 177.768 177.009 0.759 17824 1143 1 3 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.324 0.644 17824 1144 1 3 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.195 2.709 17824 1145 1 3 . 1 1 83 83 CYS H H 83 6.933 6.933 8.457 -1.524 17824 1146 1 3 . 1 1 84 84 ILE N N 84 119.139 119.139 120.551 -1.412 17824 1147 1 3 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.425 0.417 17824 1148 1 3 . 1 1 84 84 ILE C C 84 175.705 175.705 177.043 -1.338 17824 1149 1 3 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.572 -3.695 17824 1150 1 3 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.632 0.445 17824 1151 1 3 . 1 1 84 84 ILE H H 84 8.290 8.290 8.820 -0.530 17824 1152 1 3 . 1 1 85 85 SER N N 85 118.224 118.224 116.266 1.958 17824 1153 1 3 . 1 1 85 85 SER HA H 85 3.995 3.995 3.987 0.008 17824 1154 1 3 . 1 1 85 85 SER C C 85 176.097 176.097 176.678 -0.581 17824 1155 1 3 . 1 1 85 85 SER CA C 85 62.841 62.841 62.468 0.373 17824 1156 1 3 . 1 1 85 85 SER CB C 85 62.009 62.009 62.532 -0.523 17824 1157 1 3 . 1 1 85 85 SER H H 85 8.157 8.157 8.120 0.037 17824 1158 1 3 . 1 1 86 86 ARG N N 86 120.496 120.496 121.819 -1.323 17824 1159 1 3 . 1 1 86 86 ARG HA H 86 4.024 4.024 3.986 0.038 17824 1160 1 3 . 1 1 86 86 ARG C C 86 179.382 179.382 178.310 1.072 17824 1161 1 3 . 1 1 86 86 ARG CA C 86 59.865 59.865 59.208 0.657 17824 1162 1 3 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.994 -0.134 17824 1163 1 3 . 1 1 86 86 ARG H H 86 7.174 7.174 7.652 -0.478 17824 1164 1 3 . 1 1 87 87 TRP N N 87 123.951 123.951 121.678 2.273 17824 1165 1 3 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.183 -0.024 17824 1166 1 3 . 1 1 87 87 TRP C C 87 177.572 177.572 177.942 -0.370 17824 1167 1 3 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.167 0.757 17824 1168 1 3 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.609 -0.363 17824 1169 1 3 . 1 1 87 87 TRP H H 87 7.981 7.981 8.242 -0.261 17824 1170 1 3 . 1 1 88 88 LEU N N 88 116.707 116.707 117.050 -0.343 17824 1171 1 3 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.145 0.618 17824 1172 1 3 . 1 1 88 88 LEU C C 88 178.008 178.008 178.812 -0.804 17824 1173 1 3 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.541 -0.813 17824 1174 1 3 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.661 0.535 17824 1175 1 3 . 1 1 88 88 LEU H H 88 8.246 8.246 8.307 -0.061 17824 1176 1 3 . 1 1 89 89 LYS N N 89 117.240 117.240 118.337 -1.097 17824 1177 1 3 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.030 0.051 17824 1178 1 3 . 1 1 89 89 LYS C C 89 178.385 178.385 177.677 0.708 17824 1179 1 3 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.752 0.159 17824 1180 1 3 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.512 -0.208 17824 1181 1 3 . 1 1 89 89 LYS H H 89 7.309 7.309 7.724 -0.415 17824 1182 1 3 . 1 1 90 90 THR N N 90 106.446 106.446 110.077 -3.631 17824 1183 1 3 . 1 1 90 90 THR HA H 90 4.383 4.383 4.220 0.163 17824 1184 1 3 . 1 1 90 90 THR C C 90 173.919 173.919 174.097 -0.178 17824 1185 1 3 . 1 1 90 90 THR CA C 90 62.069 62.069 61.796 0.273 17824 1186 1 3 . 1 1 90 90 THR CB C 90 70.133 70.133 69.925 0.208 17824 1187 1 3 . 1 1 90 90 THR H H 90 7.452 7.452 7.509 -0.057 17824 1188 1 3 . 1 1 91 91 ARG N N 91 121.616 121.616 119.647 1.969 17824 1189 1 3 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.445 -0.040 17824 1190 1 3 . 1 1 91 91 ARG C C 91 174.754 174.754 175.476 -0.722 17824 1191 1 3 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.332 1.501 17824 1192 1 3 . 1 1 91 91 ARG CB C 91 33.885 33.885 31.884 2.001 17824 1193 1 3 . 1 1 91 91 ARG H H 91 7.426 7.426 7.782 -0.356 17824 1194 1 3 . 1 1 92 92 GLN N N 92 118.161 118.161 119.666 -1.505 17824 1195 1 3 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.365 0.343 17824 1196 1 3 . 1 1 92 92 GLN C C 92 176.437 176.437 174.771 1.666 17824 1197 1 3 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.073 -1.290 17824 1198 1 3 . 1 1 92 92 GLN CB C 92 28.958 28.958 30.128 -1.170 17824 1199 1 3 . 1 1 92 92 GLN H H 92 8.526 8.526 8.619 -0.093 17824 1200 1 3 . 1 1 93 93 VAL N N 93 109.557 109.557 112.169 -2.612 17824 1201 1 3 . 1 1 93 93 VAL HA H 93 5.065 5.065 5.018 0.047 17824 1202 1 3 . 1 1 93 93 VAL C C 93 174.806 174.806 175.497 -0.691 17824 1203 1 3 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.272 -0.923 17824 1204 1 3 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.448 0.860 17824 1205 1 3 . 1 1 93 93 VAL H H 93 7.083 7.083 7.185 -0.102 17824 1206 1 3 . 1 1 94 94 CYS N N 94 123.889 123.889 122.879 1.010 17824 1207 1 3 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.576 -0.072 17824 1208 1 3 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.179 -4.319 17824 1209 1 3 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.867 3.898 17824 1210 1 3 . 1 1 94 94 CYS H H 94 9.020 9.020 9.305 -0.284 17824 1211 1 3 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.305 -0.225 17824 1212 1 3 . 1 1 95 95 PRO C C 95 177.037 177.037 176.582 0.455 17824 1213 1 3 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.929 -0.931 17824 1214 1 3 . 1 1 95 95 PRO CB C 95 31.662 31.662 31.109 0.553 17824 1215 1 3 . 1 1 96 96 LEU N N 96 118.497 118.497 117.162 1.335 17824 1216 1 3 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.239 0.077 17824 1217 1 3 . 1 1 96 96 LEU C C 96 177.797 177.797 178.428 -0.631 17824 1218 1 3 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.663 -0.851 17824 1219 1 3 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.409 1.665 17824 1220 1 3 . 1 1 96 96 LEU H H 96 8.798 8.798 7.739 1.059 17824 1221 1 3 . 1 1 97 97 ASP N N 97 114.958 114.958 118.873 -3.915 17824 1222 1 3 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.662 0.290 17824 1223 1 3 . 1 1 97 97 ASP C C 97 175.946 175.946 176.482 -0.536 17824 1224 1 3 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.407 -0.695 17824 1225 1 3 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.764 2.419 17824 1226 1 3 . 1 1 97 97 ASP H H 97 7.396 7.396 8.367 -0.971 17824 1227 1 3 . 1 1 98 98 ASN N N 98 115.407 115.407 114.279 1.128 17824 1228 1 3 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.560 -0.136 17824 1229 1 3 . 1 1 98 98 ASN C C 98 173.934 173.934 174.357 -0.423 17824 1230 1 3 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.151 1.151 17824 1231 1 3 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.591 1.405 17824 1232 1 3 . 1 1 98 98 ASN H H 98 8.332 8.332 8.015 0.317 17824 1233 1 3 . 1 1 99 99 ARG N N 99 119.005 119.005 119.756 -0.751 17824 1234 1 3 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.659 -0.187 17824 1235 1 3 . 1 1 99 99 ARG C C 99 176.631 176.631 174.570 2.061 17824 1236 1 3 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.939 0.882 17824 1237 1 3 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.289 -1.319 17824 1238 1 3 . 1 1 99 99 ARG H H 99 8.825 8.825 8.251 0.574 17824 1239 1 3 . 1 1 100 100 GLU N N 100 122.676 122.676 125.532 -2.856 17824 1240 1 3 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.333 -0.183 17824 1241 1 3 . 1 1 100 100 GLU C C 100 176.647 176.647 175.603 1.044 17824 1242 1 3 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.212 1.136 17824 1243 1 3 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.375 -0.641 17824 1244 1 3 . 1 1 100 100 GLU H H 100 8.869 8.869 8.741 0.128 17824 1245 1 3 . 1 1 101 101 TRP N N 101 126.288 126.288 130.151 -3.863 17824 1246 1 3 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.633 -0.030 17824 1247 1 3 . 1 1 101 101 TRP C C 101 175.786 175.786 175.258 0.528 17824 1248 1 3 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.973 -0.038 17824 1249 1 3 . 1 1 101 101 TRP CB C 101 29.758 29.758 29.891 -0.133 17824 1250 1 3 . 1 1 101 101 TRP H H 101 8.437 8.437 8.028 0.409 17824 1251 1 3 . 1 1 102 102 GLU N N 102 127.912 127.912 125.645 2.267 17824 1252 1 3 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.331 -0.059 17824 1253 1 3 . 1 1 102 102 GLU C C 102 174.791 174.791 174.907 -0.116 17824 1254 1 3 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.105 0.619 17824 1255 1 3 . 1 1 102 102 GLU CB C 102 33.255 33.255 32.675 0.580 17824 1256 1 3 . 1 1 102 102 GLU H H 102 7.319 7.319 7.742 -0.423 17824 1257 1 3 . 1 1 103 103 PHE N N 103 122.445 122.445 123.897 -1.452 17824 1258 1 3 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.470 -0.102 17824 1259 1 3 . 1 1 103 103 PHE C C 103 176.419 176.419 175.801 0.618 17824 1260 1 3 . 1 1 103 103 PHE CA C 103 60.070 60.070 59.723 0.347 17824 1261 1 3 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.521 0.353 17824 1262 1 3 . 1 1 103 103 PHE H H 103 8.827 8.827 8.844 -0.017 17824 1263 1 3 . 1 1 104 104 GLN N N 104 122.896 122.896 126.148 -3.252 17824 1264 1 3 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.557 -0.271 17824 1265 1 3 . 1 1 104 104 GLN C C 104 175.487 175.487 175.066 0.421 17824 1266 1 3 . 1 1 104 104 GLN CA C 104 56.270 56.270 56.618 -0.348 17824 1267 1 3 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.809 -0.263 17824 1268 1 3 . 1 1 104 104 GLN H H 104 9.119 9.119 8.931 0.188 17824 1269 1 3 . 1 1 105 105 LYS N N 105 121.917 121.917 117.707 4.210 17824 1270 1 3 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.650 -0.214 17824 1271 1 3 . 1 1 105 105 LYS C C 105 175.219 175.219 175.859 -0.640 17824 1272 1 3 . 1 1 105 105 LYS CA C 105 56.282 56.282 55.845 0.437 17824 1273 1 3 . 1 1 105 105 LYS CB C 105 33.804 33.804 35.132 -1.328 17824 1274 1 3 . 1 1 105 105 LYS H H 105 8.308 8.308 7.962 0.346 17824 1275 1 3 . 1 1 106 106 TYR N N 106 121.451 121.451 119.985 1.466 17824 1276 1 3 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.608 0.206 17824 1277 1 3 . 1 1 106 106 TYR C C 106 176.017 176.017 175.243 0.774 17824 1278 1 3 . 1 1 106 106 TYR CA C 106 57.828 57.828 58.450 -0.622 17824 1279 1 3 . 1 1 106 106 TYR CB C 106 39.606 39.606 38.680 0.926 17824 1280 1 3 . 1 1 106 106 TYR H H 106 8.431 8.431 8.714 -0.283 17824 1281 1 3 . 1 1 107 107 GLY N N 107 110.965 110.965 106.837 4.128 17824 1282 1 3 . 1 1 107 107 GLY C C 107 172.723 172.723 172.872 -0.149 17824 1283 1 3 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.605 0.677 17824 1284 1 3 . 1 1 107 107 GLY H H 107 8.395 8.395 7.677 0.718 17824 1285 1 4 . 1 1 35 35 TRP N N 35 118.681 118.681 125.823 -7.142 17824 1286 1 4 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.533 0.110 17824 1287 1 4 . 1 1 35 35 TRP C C 35 175.833 175.833 174.820 1.013 17824 1288 1 4 . 1 1 35 35 TRP CA C 35 56.900 56.900 56.912 -0.012 17824 1289 1 4 . 1 1 35 35 TRP CB C 35 29.375 29.375 29.616 -0.241 17824 1290 1 4 . 1 1 35 35 TRP H H 35 7.831 7.831 8.666 -0.835 17824 1291 1 4 . 1 1 36 36 ASP N N 36 121.178 121.178 127.306 -6.128 17824 1292 1 4 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.435 0.139 17824 1293 1 4 . 1 1 36 36 ASP C C 36 175.821 175.821 175.615 0.206 17824 1294 1 4 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.081 1.541 17824 1295 1 4 . 1 1 36 36 ASP CB C 36 41.150 41.150 42.136 -0.986 17824 1296 1 4 . 1 1 36 36 ASP H H 36 8.111 8.111 7.618 0.493 17824 1297 1 4 . 1 1 37 37 ILE N N 37 120.177 120.177 119.022 1.155 17824 1298 1 4 . 1 1 37 37 ILE HA H 37 4.156 4.156 3.652 0.504 17824 1299 1 4 . 1 1 37 37 ILE C C 37 175.817 175.817 174.881 0.936 17824 1300 1 4 . 1 1 37 37 ILE CA C 37 61.638 61.638 60.638 1.000 17824 1301 1 4 . 1 1 37 37 ILE CB C 37 39.034 39.034 38.425 0.609 17824 1302 1 4 . 1 1 37 37 ILE H H 37 7.820 7.820 7.942 -0.122 17824 1303 1 4 . 1 1 38 38 VAL N N 38 124.844 124.844 121.917 2.927 17824 1304 1 4 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.298 -0.138 17824 1305 1 4 . 1 1 38 38 VAL C C 38 176.102 176.102 175.975 0.127 17824 1306 1 4 . 1 1 38 38 VAL CA C 38 62.055 62.055 61.201 0.854 17824 1307 1 4 . 1 1 38 38 VAL CB C 38 32.764 32.764 35.107 -2.343 17824 1308 1 4 . 1 1 38 38 VAL H H 38 8.203 8.203 7.944 0.259 17824 1309 1 4 . 1 1 39 39 VAL N N 39 123.813 123.813 122.646 1.167 17824 1310 1 4 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.853 0.285 17824 1311 1 4 . 1 1 39 39 VAL C C 39 174.919 174.919 175.542 -0.623 17824 1312 1 4 . 1 1 39 39 VAL CA C 39 62.605 62.605 64.421 -1.816 17824 1313 1 4 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.574 1.251 17824 1314 1 4 . 1 1 39 39 VAL H H 39 8.163 8.163 8.623 -0.460 17824 1315 1 4 . 1 1 40 40 ASP N N 40 122.074 122.074 116.936 5.138 17824 1316 1 4 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.610 -0.142 17824 1317 1 4 . 1 1 40 40 ASP C C 40 174.408 174.408 175.219 -0.811 17824 1318 1 4 . 1 1 40 40 ASP CA C 40 54.389 54.389 54.282 0.107 17824 1319 1 4 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.394 0.761 17824 1320 1 4 . 1 1 40 40 ASP H H 40 8.154 8.154 8.155 -0.001 17824 1321 1 4 . 1 1 41 41 ASN N N 41 115.983 115.983 117.508 -1.525 17824 1322 1 4 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.933 -0.171 17824 1323 1 4 . 1 1 41 41 ASN C C 41 174.643 174.643 173.641 1.002 17824 1324 1 4 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.185 0.141 17824 1325 1 4 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.715 -1.331 17824 1326 1 4 . 1 1 41 41 ASN H H 41 7.901 7.901 7.982 -0.081 17824 1327 1 4 . 1 1 42 42 CYS N N 42 123.612 123.612 122.933 0.679 17824 1328 1 4 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.418 -0.132 17824 1329 1 4 . 1 1 42 42 CYS C C 42 176.756 176.756 175.284 1.472 17824 1330 1 4 . 1 1 42 42 CYS CA C 42 58.800 58.800 59.513 -0.713 17824 1331 1 4 . 1 1 42 42 CYS CB C 42 30.773 30.773 27.275 3.498 17824 1332 1 4 . 1 1 42 42 CYS H H 42 8.503 8.503 8.626 -0.123 17824 1333 1 4 . 1 1 43 43 ALA N N 43 132.181 132.181 130.755 1.426 17824 1334 1 4 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.466 -0.301 17824 1335 1 4 . 1 1 43 43 ALA C C 43 177.706 177.706 178.704 -0.998 17824 1336 1 4 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.176 -0.533 17824 1337 1 4 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.663 0.748 17824 1338 1 4 . 1 1 43 43 ALA H H 43 9.493 9.493 8.966 0.527 17824 1339 1 4 . 1 1 44 44 ILE N N 44 116.079 116.079 118.332 -2.253 17824 1340 1 4 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.585 0.211 17824 1341 1 4 . 1 1 44 44 ILE C C 44 176.208 176.208 176.935 -0.727 17824 1342 1 4 . 1 1 44 44 ILE CA C 44 64.532 64.532 64.091 0.441 17824 1343 1 4 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.802 1.290 17824 1344 1 4 . 1 1 44 44 ILE H H 44 7.956 7.956 7.998 -0.042 17824 1345 1 4 . 1 1 45 45 CYS N N 45 116.456 116.456 113.417 3.039 17824 1346 1 4 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.701 0.323 17824 1347 1 4 . 1 1 45 45 CYS C C 45 175.747 175.747 175.121 0.626 17824 1348 1 4 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.454 1.727 17824 1349 1 4 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.872 3.006 17824 1350 1 4 . 1 1 45 45 CYS H H 45 7.818 7.818 7.930 -0.112 17824 1351 1 4 . 1 1 46 46 ARG N N 46 117.125 117.125 120.855 -3.730 17824 1352 1 4 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.220 -0.215 17824 1353 1 4 . 1 1 46 46 ARG C C 46 175.539 175.539 174.384 1.155 17824 1354 1 4 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.990 2.794 17824 1355 1 4 . 1 1 46 46 ARG CB C 46 26.594 26.594 28.193 -1.599 17824 1356 1 4 . 1 1 46 46 ARG H H 46 8.511 8.511 7.933 0.578 17824 1357 1 4 . 1 1 47 47 ASN N N 47 121.377 121.377 115.724 5.653 17824 1358 1 4 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.971 0.041 17824 1359 1 4 . 1 1 47 47 ASN C C 47 175.537 175.537 173.377 2.160 17824 1360 1 4 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.013 -1.991 17824 1361 1 4 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.968 -2.953 17824 1362 1 4 . 1 1 47 47 ASN H H 47 8.720 8.720 7.642 1.078 17824 1363 1 4 . 1 1 48 48 HIS N N 48 122.235 122.235 118.663 3.572 17824 1364 1 4 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.445 0.054 17824 1365 1 4 . 1 1 48 48 HIS C C 48 177.722 177.722 176.904 0.818 17824 1366 1 4 . 1 1 48 48 HIS CA C 48 58.872 58.872 58.169 0.703 17824 1367 1 4 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.152 -0.433 17824 1368 1 4 . 1 1 48 48 HIS H H 48 9.226 9.226 8.725 0.501 17824 1369 1 4 . 1 1 49 49 ILE N N 49 126.643 126.643 124.965 1.678 17824 1370 1 4 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.623 -0.223 17824 1371 1 4 . 1 1 49 49 ILE CA C 49 61.488 61.488 63.552 -2.064 17824 1372 1 4 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.993 -0.022 17824 1373 1 4 . 1 1 49 49 ILE H H 49 7.991 7.991 7.996 -0.005 17824 1374 1 4 . 1 1 50 50 MET HA H 50 4.268 4.268 4.765 -0.497 17824 1375 1 4 . 1 1 50 50 MET C C 50 177.236 177.236 174.324 2.912 17824 1376 1 4 . 1 1 50 50 MET CA C 50 54.795 54.795 55.014 -0.219 17824 1377 1 4 . 1 1 50 50 MET CB C 50 31.357 31.357 32.483 -1.126 17824 1378 1 4 . 1 1 51 51 ASP N N 51 121.143 121.143 120.619 0.524 17824 1379 1 4 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.590 -0.577 17824 1380 1 4 . 1 1 51 51 ASP C C 51 176.770 176.770 174.901 1.869 17824 1381 1 4 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.215 -2.112 17824 1382 1 4 . 1 1 51 51 ASP CB C 51 43.285 43.285 44.728 -1.443 17824 1383 1 4 . 1 1 51 51 ASP H H 51 7.854 7.854 7.982 -0.128 17824 1384 1 4 . 1 1 52 52 LEU N N 52 119.501 119.501 120.940 -1.439 17824 1385 1 4 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.278 0.068 17824 1386 1 4 . 1 1 52 52 LEU C C 52 177.049 177.049 175.860 1.189 17824 1387 1 4 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.654 -0.223 17824 1388 1 4 . 1 1 52 52 LEU CB C 52 43.355 43.355 43.068 0.287 17824 1389 1 4 . 1 1 52 52 LEU H H 52 8.484 8.484 8.617 -0.133 17824 1390 1 4 . 1 1 53 53 CYS N N 53 120.790 120.790 117.067 3.723 17824 1391 1 4 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.516 -0.670 17824 1392 1 4 . 1 1 53 53 CYS C C 53 175.247 175.247 176.704 -1.457 17824 1393 1 4 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.289 -0.458 17824 1394 1 4 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.574 3.070 17824 1395 1 4 . 1 1 53 53 CYS H H 53 8.151 8.151 8.021 0.130 17824 1396 1 4 . 1 1 54 54 ILE N N 54 116.790 116.790 120.186 -3.396 17824 1397 1 4 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.715 0.220 17824 1398 1 4 . 1 1 54 54 ILE C C 54 176.615 176.615 178.128 -1.513 17824 1399 1 4 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.163 -1.257 17824 1400 1 4 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.081 1.953 17824 1401 1 4 . 1 1 54 54 ILE H H 54 6.626 6.626 8.638 -2.012 17824 1402 1 4 . 1 1 55 55 GLU N N 55 123.451 123.451 119.956 3.495 17824 1403 1 4 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.157 -0.003 17824 1404 1 4 . 1 1 55 55 GLU C C 55 179.075 179.075 178.931 0.144 17824 1405 1 4 . 1 1 55 55 GLU CA C 55 59.781 59.781 59.062 0.719 17824 1406 1 4 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.372 1.092 17824 1407 1 4 . 1 1 55 55 GLU H H 55 7.642 7.642 8.500 -0.858 17824 1408 1 4 . 1 1 56 56 CYS N N 56 124.445 124.445 117.293 7.152 17824 1409 1 4 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.071 -0.083 17824 1410 1 4 . 1 1 56 56 CYS C C 56 178.290 178.290 177.052 1.238 17824 1411 1 4 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.867 2.111 17824 1412 1 4 . 1 1 56 56 CYS CB C 56 29.652 29.652 25.941 3.711 17824 1413 1 4 . 1 1 56 56 CYS H H 56 8.676 8.676 8.417 0.259 17824 1414 1 4 . 1 1 57 57 GLN N N 57 117.736 117.736 120.306 -2.570 17824 1415 1 4 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.048 -0.156 17824 1416 1 4 . 1 1 57 57 GLN C C 57 177.428 177.428 177.688 -0.260 17824 1417 1 4 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.384 0.488 17824 1418 1 4 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.434 1.394 17824 1419 1 4 . 1 1 57 57 GLN H H 57 8.419 8.419 7.996 0.423 17824 1420 1 4 . 1 1 58 58 ALA N N 58 119.578 119.578 122.118 -2.540 17824 1421 1 4 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.148 0.129 17824 1422 1 4 . 1 1 58 58 ALA C C 58 178.087 178.087 179.256 -1.169 17824 1423 1 4 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.252 0.270 17824 1424 1 4 . 1 1 58 58 ALA CB C 58 19.017 19.017 19.005 0.012 17824 1425 1 4 . 1 1 58 58 ALA H H 58 7.335 7.335 7.759 -0.424 17824 1426 1 4 . 1 1 59 59 ASN N N 59 116.209 116.209 117.034 -0.825 17824 1427 1 4 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.545 0.273 17824 1428 1 4 . 1 1 59 59 ASN C C 59 175.372 175.372 175.877 -0.505 17824 1429 1 4 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.420 -1.762 17824 1430 1 4 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.373 -0.265 17824 1431 1 4 . 1 1 59 59 ASN H H 59 7.617 7.617 8.158 -0.541 17824 1432 1 4 . 1 1 60 60 GLN N N 60 120.078 120.078 116.690 3.388 17824 1433 1 4 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.962 0.250 17824 1434 1 4 . 1 1 60 60 GLN C C 60 176.218 176.218 174.624 1.594 17824 1435 1 4 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.310 1.000 17824 1436 1 4 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.467 2.183 17824 1437 1 4 . 1 1 60 60 GLN H H 60 8.116 8.116 8.142 -0.026 17824 1438 1 4 . 1 1 61 61 ALA N N 61 122.298 122.298 124.763 -2.465 17824 1439 1 4 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.509 -0.191 17824 1440 1 4 . 1 1 61 61 ALA C C 61 177.964 177.964 177.559 0.405 17824 1441 1 4 . 1 1 61 61 ALA CA C 61 53.440 53.440 51.215 2.225 17824 1442 1 4 . 1 1 61 61 ALA CB C 61 18.652 18.652 20.481 -1.829 17824 1443 1 4 . 1 1 61 61 ALA H H 61 8.345 8.345 8.150 0.195 17824 1444 1 4 . 1 1 62 62 SER N N 62 113.232 113.232 116.413 -3.181 17824 1445 1 4 . 1 1 62 62 SER HA H 62 4.454 4.454 4.453 0.001 17824 1446 1 4 . 1 1 62 62 SER C C 62 174.747 174.747 173.835 0.912 17824 1447 1 4 . 1 1 62 62 SER CA C 62 58.197 58.197 58.809 -0.612 17824 1448 1 4 . 1 1 62 62 SER CB C 62 63.906 63.906 61.590 2.316 17824 1449 1 4 . 1 1 62 62 SER H H 62 8.011 8.011 8.729 -0.718 17824 1450 1 4 . 1 1 63 63 ALA N N 63 125.573 125.573 128.480 -2.907 17824 1451 1 4 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.584 -0.401 17824 1452 1 4 . 1 1 63 63 ALA C C 63 178.091 178.091 175.861 2.230 17824 1453 1 4 . 1 1 63 63 ALA CA C 63 53.006 53.006 51.848 1.158 17824 1454 1 4 . 1 1 63 63 ALA CB C 63 18.756 18.756 20.380 -1.624 17824 1455 1 4 . 1 1 63 63 ALA H H 63 8.323 8.323 7.845 0.478 17824 1456 1 4 . 1 1 64 64 THR N N 64 111.006 111.006 112.257 -1.251 17824 1457 1 4 . 1 1 64 64 THR HA H 64 4.495 4.495 4.582 -0.087 17824 1458 1 4 . 1 1 64 64 THR C C 64 175.346 175.346 175.373 -0.027 17824 1459 1 4 . 1 1 64 64 THR CA C 64 61.903 61.903 61.662 0.241 17824 1460 1 4 . 1 1 64 64 THR CB C 64 69.903 69.903 69.412 0.491 17824 1461 1 4 . 1 1 64 64 THR H H 64 8.071 8.071 8.566 -0.495 17824 1462 1 4 . 1 1 65 65 SER N N 65 118.037 118.037 118.611 -0.574 17824 1463 1 4 . 1 1 65 65 SER HA H 65 4.524 4.524 4.431 0.093 17824 1464 1 4 . 1 1 65 65 SER C C 65 175.131 175.131 175.233 -0.102 17824 1465 1 4 . 1 1 65 65 SER CA C 65 59.795 59.795 59.801 -0.006 17824 1466 1 4 . 1 1 65 65 SER CB C 65 63.833 63.833 63.708 0.125 17824 1467 1 4 . 1 1 65 65 SER H H 65 8.328 8.328 8.797 -0.469 17824 1468 1 4 . 1 1 66 66 GLU N N 66 121.505 121.505 120.131 1.374 17824 1469 1 4 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.138 0.176 17824 1470 1 4 . 1 1 66 66 GLU C C 66 176.394 176.394 175.893 0.501 17824 1471 1 4 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.527 -1.532 17824 1472 1 4 . 1 1 66 66 GLU CB C 66 30.310 30.310 29.925 0.384 17824 1473 1 4 . 1 1 66 66 GLU H H 66 8.368 8.368 8.450 -0.082 17824 1474 1 4 . 1 1 67 67 GLU N N 67 119.409 119.409 113.685 5.724 17824 1475 1 4 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.814 -0.523 17824 1476 1 4 . 1 1 67 67 GLU C C 67 175.079 175.079 175.055 0.024 17824 1477 1 4 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.267 2.213 17824 1478 1 4 . 1 1 67 67 GLU CB C 67 29.931 29.931 31.591 -1.660 17824 1479 1 4 . 1 1 67 67 GLU H H 67 8.074 8.074 8.019 0.055 17824 1480 1 4 . 1 1 68 68 CYS N N 68 126.937 126.937 123.427 3.510 17824 1481 1 4 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.966 -0.678 17824 1482 1 4 . 1 1 68 68 CYS C C 68 174.423 174.423 174.406 0.017 17824 1483 1 4 . 1 1 68 68 CYS CA C 68 59.809 59.809 59.478 0.331 17824 1484 1 4 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.290 0.380 17824 1485 1 4 . 1 1 68 68 CYS H H 68 8.340 8.340 8.741 -0.401 17824 1486 1 4 . 1 1 69 69 THR N N 69 116.442 116.442 111.216 5.226 17824 1487 1 4 . 1 1 69 69 THR HA H 69 4.891 4.891 4.677 0.214 17824 1488 1 4 . 1 1 69 69 THR C C 69 175.561 175.561 173.215 2.346 17824 1489 1 4 . 1 1 69 69 THR CA C 69 60.817 60.817 61.082 -0.265 17824 1490 1 4 . 1 1 69 69 THR CB C 69 71.654 71.654 71.518 0.136 17824 1491 1 4 . 1 1 69 69 THR H H 69 7.497 7.497 8.331 -0.834 17824 1492 1 4 . 1 1 70 70 VAL N N 70 123.637 123.637 122.955 0.682 17824 1493 1 4 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.734 -0.399 17824 1494 1 4 . 1 1 70 70 VAL C C 70 174.368 174.368 173.050 1.318 17824 1495 1 4 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.751 2.191 17824 1496 1 4 . 1 1 70 70 VAL CB C 70 33.897 33.897 36.016 -2.119 17824 1497 1 4 . 1 1 70 70 VAL H H 70 8.862 8.862 8.562 0.300 17824 1498 1 4 . 1 1 71 71 ALA N N 71 128.540 128.540 128.260 0.280 17824 1499 1 4 . 1 1 71 71 ALA HA H 71 5.286 5.286 5.202 0.084 17824 1500 1 4 . 1 1 71 71 ALA C C 71 174.520 174.520 175.574 -1.054 17824 1501 1 4 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.617 0.155 17824 1502 1 4 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.985 0.990 17824 1503 1 4 . 1 1 71 71 ALA H H 71 9.247 9.247 9.189 0.058 17824 1504 1 4 . 1 1 72 72 TRP N N 72 120.167 120.167 122.209 -2.042 17824 1505 1 4 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.240 0.180 17824 1506 1 4 . 1 1 72 72 TRP C C 72 177.182 177.182 176.871 0.311 17824 1507 1 4 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.370 1.393 17824 1508 1 4 . 1 1 72 72 TRP CB C 72 32.630 32.630 32.000 0.630 17824 1509 1 4 . 1 1 72 72 TRP H H 72 9.065 9.065 9.302 -0.237 17824 1510 1 4 . 1 1 73 73 GLY N N 73 110.755 110.755 108.611 2.144 17824 1511 1 4 . 1 1 73 73 GLY C C 73 177.914 177.914 175.041 2.873 17824 1512 1 4 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.326 0.841 17824 1513 1 4 . 1 1 73 73 GLY H H 73 9.128 9.128 9.433 -0.305 17824 1514 1 4 . 1 1 74 74 VAL N N 74 122.747 122.747 124.441 -1.694 17824 1515 1 4 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.703 0.133 17824 1516 1 4 . 1 1 74 74 VAL C C 74 176.014 176.014 176.382 -0.368 17824 1517 1 4 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.001 -0.008 17824 1518 1 4 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.929 -0.209 17824 1519 1 4 . 1 1 74 74 VAL H H 74 8.299 8.299 8.171 0.128 17824 1520 1 4 . 1 1 75 75 CYS N N 75 116.720 116.720 114.744 1.976 17824 1521 1 4 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.478 -0.183 17824 1522 1 4 . 1 1 75 75 CYS C C 75 174.359 174.359 175.399 -1.040 17824 1523 1 4 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.675 0.542 17824 1524 1 4 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.347 4.354 17824 1525 1 4 . 1 1 75 75 CYS H H 75 7.567 7.567 7.988 -0.421 17824 1526 1 4 . 1 1 76 76 ASN N N 76 114.522 114.522 118.011 -3.489 17824 1527 1 4 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.299 0.135 17824 1528 1 4 . 1 1 76 76 ASN C C 76 173.726 173.726 173.374 0.352 17824 1529 1 4 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.148 1.504 17824 1530 1 4 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.525 0.423 17824 1531 1 4 . 1 1 76 76 ASN H H 76 8.060 8.060 8.141 -0.081 17824 1532 1 4 . 1 1 77 77 HIS N N 77 117.754 117.754 116.764 0.990 17824 1533 1 4 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.775 -0.058 17824 1534 1 4 . 1 1 77 77 HIS C C 77 172.650 172.650 173.398 -0.748 17824 1535 1 4 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.379 3.447 17824 1536 1 4 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.148 -1.259 17824 1537 1 4 . 1 1 77 77 HIS H H 77 7.797 7.797 7.707 0.090 17824 1538 1 4 . 1 1 78 78 ALA N N 78 122.889 122.889 122.442 0.447 17824 1539 1 4 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.468 -0.519 17824 1540 1 4 . 1 1 78 78 ALA C C 78 174.873 174.873 174.956 -0.083 17824 1541 1 4 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.800 -2.271 17824 1542 1 4 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.975 -1.898 17824 1543 1 4 . 1 1 78 78 ALA H H 78 7.811 7.811 8.335 -0.524 17824 1544 1 4 . 1 1 79 79 PHE N N 79 113.618 113.618 119.854 -6.236 17824 1545 1 4 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.738 -0.039 17824 1546 1 4 . 1 1 79 79 PHE C C 79 176.138 176.138 174.642 1.496 17824 1547 1 4 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.964 -1.615 17824 1548 1 4 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.448 2.138 17824 1549 1 4 . 1 1 79 79 PHE H H 79 8.377 8.377 9.134 -0.757 17824 1550 1 4 . 1 1 80 80 HIS N N 80 118.823 118.823 120.259 -1.436 17824 1551 1 4 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.853 -0.024 17824 1552 1 4 . 1 1 80 80 HIS C C 80 177.268 177.268 176.543 0.725 17824 1553 1 4 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.422 4.527 17824 1554 1 4 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.706 -0.971 17824 1555 1 4 . 1 1 80 80 HIS H H 80 8.429 8.429 8.378 0.051 17824 1556 1 4 . 1 1 81 81 PHE N N 81 129.040 129.040 126.038 3.002 17824 1557 1 4 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.283 0.056 17824 1558 1 4 . 1 1 81 81 PHE C C 81 178.911 178.911 176.790 2.121 17824 1559 1 4 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.292 -0.454 17824 1560 1 4 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.555 -0.499 17824 1561 1 4 . 1 1 81 81 PHE H H 81 9.881 9.881 8.705 1.176 17824 1562 1 4 . 1 1 82 82 HIS N N 82 120.611 120.611 118.838 1.773 17824 1563 1 4 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.044 0.242 17824 1564 1 4 . 1 1 82 82 HIS C C 82 177.694 177.694 177.223 0.471 17824 1565 1 4 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.928 -1.024 17824 1566 1 4 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.837 2.995 17824 1567 1 4 . 1 1 82 82 HIS H H 82 10.457 10.457 8.305 2.152 17824 1568 1 4 . 1 1 83 83 CYS N N 83 117.628 117.628 117.487 0.141 17824 1569 1 4 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.070 0.084 17824 1570 1 4 . 1 1 83 83 CYS C C 83 177.768 177.768 177.008 0.760 17824 1571 1 4 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.206 0.762 17824 1572 1 4 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.279 2.625 17824 1573 1 4 . 1 1 83 83 CYS H H 83 6.933 6.933 8.281 -1.348 17824 1574 1 4 . 1 1 84 84 ILE N N 84 119.139 119.139 120.417 -1.278 17824 1575 1 4 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.403 0.439 17824 1576 1 4 . 1 1 84 84 ILE C C 84 175.705 175.705 177.074 -1.369 17824 1577 1 4 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.534 -3.657 17824 1578 1 4 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.669 0.408 17824 1579 1 4 . 1 1 84 84 ILE H H 84 8.290 8.290 8.720 -0.430 17824 1580 1 4 . 1 1 85 85 SER N N 85 118.224 118.224 116.431 1.793 17824 1581 1 4 . 1 1 85 85 SER HA H 85 3.995 3.995 4.021 -0.026 17824 1582 1 4 . 1 1 85 85 SER C C 85 176.097 176.097 176.658 -0.561 17824 1583 1 4 . 1 1 85 85 SER CA C 85 62.841 62.841 62.349 0.492 17824 1584 1 4 . 1 1 85 85 SER CB C 85 62.009 62.009 62.460 -0.451 17824 1585 1 4 . 1 1 85 85 SER H H 85 8.157 8.157 8.205 -0.048 17824 1586 1 4 . 1 1 86 86 ARG N N 86 120.496 120.496 121.055 -0.559 17824 1587 1 4 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.063 -0.039 17824 1588 1 4 . 1 1 86 86 ARG C C 86 179.382 179.382 178.274 1.108 17824 1589 1 4 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.320 1.545 17824 1590 1 4 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.638 0.222 17824 1591 1 4 . 1 1 86 86 ARG H H 86 7.174 7.174 7.529 -0.355 17824 1592 1 4 . 1 1 87 87 TRP N N 87 123.951 123.951 121.913 2.038 17824 1593 1 4 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.215 -0.056 17824 1594 1 4 . 1 1 87 87 TRP C C 87 177.572 177.572 178.108 -0.536 17824 1595 1 4 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.272 0.652 17824 1596 1 4 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.391 -0.145 17824 1597 1 4 . 1 1 87 87 TRP H H 87 7.981 7.981 8.107 -0.126 17824 1598 1 4 . 1 1 88 88 LEU N N 88 116.707 116.707 117.290 -0.583 17824 1599 1 4 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.117 0.646 17824 1600 1 4 . 1 1 88 88 LEU C C 88 178.008 178.008 178.876 -0.868 17824 1601 1 4 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.894 -1.166 17824 1602 1 4 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.640 0.556 17824 1603 1 4 . 1 1 88 88 LEU H H 88 8.246 8.246 8.225 0.021 17824 1604 1 4 . 1 1 89 89 LYS N N 89 117.240 117.240 116.694 0.546 17824 1605 1 4 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.085 -0.004 17824 1606 1 4 . 1 1 89 89 LYS C C 89 178.385 178.385 177.901 0.484 17824 1607 1 4 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.491 0.420 17824 1608 1 4 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.220 0.084 17824 1609 1 4 . 1 1 89 89 LYS H H 89 7.309 7.309 7.626 -0.317 17824 1610 1 4 . 1 1 90 90 THR N N 90 106.446 106.446 110.800 -4.354 17824 1611 1 4 . 1 1 90 90 THR HA H 90 4.383 4.383 4.219 0.164 17824 1612 1 4 . 1 1 90 90 THR C C 90 173.919 173.919 173.929 -0.010 17824 1613 1 4 . 1 1 90 90 THR CA C 90 62.069 62.069 61.577 0.492 17824 1614 1 4 . 1 1 90 90 THR CB C 90 70.133 70.133 69.850 0.283 17824 1615 1 4 . 1 1 90 90 THR H H 90 7.452 7.452 7.491 -0.039 17824 1616 1 4 . 1 1 91 91 ARG N N 91 121.616 121.616 119.945 1.671 17824 1617 1 4 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.406 -0.001 17824 1618 1 4 . 1 1 91 91 ARG C C 91 174.754 174.754 175.225 -0.471 17824 1619 1 4 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.682 1.151 17824 1620 1 4 . 1 1 91 91 ARG CB C 91 33.885 33.885 31.668 2.217 17824 1621 1 4 . 1 1 91 91 ARG H H 91 7.426 7.426 7.704 -0.278 17824 1622 1 4 . 1 1 92 92 GLN N N 92 118.161 118.161 119.913 -1.752 17824 1623 1 4 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.397 0.311 17824 1624 1 4 . 1 1 92 92 GLN C C 92 176.437 176.437 174.715 1.722 17824 1625 1 4 . 1 1 92 92 GLN CA C 92 55.783 55.783 56.602 -0.819 17824 1626 1 4 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.354 -0.396 17824 1627 1 4 . 1 1 92 92 GLN H H 92 8.526 8.526 8.622 -0.096 17824 1628 1 4 . 1 1 93 93 VAL N N 93 109.557 109.557 111.327 -1.770 17824 1629 1 4 . 1 1 93 93 VAL HA H 93 5.065 5.065 5.167 -0.102 17824 1630 1 4 . 1 1 93 93 VAL C C 93 174.806 174.806 175.210 -0.404 17824 1631 1 4 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.023 -0.675 17824 1632 1 4 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.971 0.337 17824 1633 1 4 . 1 1 93 93 VAL H H 93 7.083 7.083 7.137 -0.054 17824 1634 1 4 . 1 1 94 94 CYS N N 94 123.889 123.889 121.968 1.921 17824 1635 1 4 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.657 -0.153 17824 1636 1 4 . 1 1 94 94 CYS CA C 94 56.860 56.860 60.764 -3.904 17824 1637 1 4 . 1 1 94 94 CYS CB C 94 30.765 30.765 27.018 3.747 17824 1638 1 4 . 1 1 94 94 CYS H H 94 9.020 9.020 9.212 -0.192 17824 1639 1 4 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.380 -0.300 17824 1640 1 4 . 1 1 95 95 PRO C C 95 177.037 177.037 176.361 0.676 17824 1641 1 4 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.993 -0.995 17824 1642 1 4 . 1 1 95 95 PRO CB C 95 31.662 31.662 31.093 0.569 17824 1643 1 4 . 1 1 96 96 LEU N N 96 118.497 118.497 118.401 0.096 17824 1644 1 4 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.287 0.029 17824 1645 1 4 . 1 1 96 96 LEU C C 96 177.797 177.797 177.869 -0.072 17824 1646 1 4 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.639 -0.827 17824 1647 1 4 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.825 1.250 17824 1648 1 4 . 1 1 96 96 LEU H H 96 8.798 8.798 7.604 1.194 17824 1649 1 4 . 1 1 97 97 ASP N N 97 114.958 114.958 117.671 -2.713 17824 1650 1 4 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.622 0.330 17824 1651 1 4 . 1 1 97 97 ASP C C 97 175.946 175.946 176.480 -0.534 17824 1652 1 4 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.066 -0.354 17824 1653 1 4 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.934 2.249 17824 1654 1 4 . 1 1 97 97 ASP H H 97 7.396 7.396 8.530 -1.134 17824 1655 1 4 . 1 1 98 98 ASN N N 98 115.407 115.407 114.570 0.837 17824 1656 1 4 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.574 -0.150 17824 1657 1 4 . 1 1 98 98 ASN C C 98 173.934 173.934 174.192 -0.258 17824 1658 1 4 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.343 0.959 17824 1659 1 4 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.773 1.223 17824 1660 1 4 . 1 1 98 98 ASN H H 98 8.332 8.332 8.022 0.310 17824 1661 1 4 . 1 1 99 99 ARG N N 99 119.005 119.005 118.553 0.452 17824 1662 1 4 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.621 -0.149 17824 1663 1 4 . 1 1 99 99 ARG C C 99 176.631 176.631 175.644 0.987 17824 1664 1 4 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.333 1.488 17824 1665 1 4 . 1 1 99 99 ARG CB C 99 30.970 30.970 31.948 -0.978 17824 1666 1 4 . 1 1 99 99 ARG H H 99 8.825 8.825 8.006 0.819 17824 1667 1 4 . 1 1 100 100 GLU N N 100 122.676 122.676 122.534 0.142 17824 1668 1 4 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.450 -0.300 17824 1669 1 4 . 1 1 100 100 GLU C C 100 176.647 176.647 176.197 0.450 17824 1670 1 4 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.423 0.925 17824 1671 1 4 . 1 1 100 100 GLU CB C 100 29.734 29.734 29.543 0.191 17824 1672 1 4 . 1 1 100 100 GLU H H 100 8.869 8.869 8.708 0.161 17824 1673 1 4 . 1 1 101 101 TRP N N 101 126.288 126.288 130.214 -3.926 17824 1674 1 4 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.648 -0.045 17824 1675 1 4 . 1 1 101 101 TRP C C 101 175.786 175.786 175.398 0.388 17824 1676 1 4 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.806 0.129 17824 1677 1 4 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.206 -0.448 17824 1678 1 4 . 1 1 101 101 TRP H H 101 8.437 8.437 7.863 0.574 17824 1679 1 4 . 1 1 102 102 GLU N N 102 127.912 127.912 123.846 4.066 17824 1680 1 4 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.382 -0.110 17824 1681 1 4 . 1 1 102 102 GLU C C 102 174.791 174.791 174.209 0.582 17824 1682 1 4 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.087 0.637 17824 1683 1 4 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.628 -0.373 17824 1684 1 4 . 1 1 102 102 GLU H H 102 7.319 7.319 7.604 -0.285 17824 1685 1 4 . 1 1 103 103 PHE N N 103 122.445 122.445 122.460 -0.015 17824 1686 1 4 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.866 -0.498 17824 1687 1 4 . 1 1 103 103 PHE C C 103 176.419 176.419 176.346 0.073 17824 1688 1 4 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.422 1.648 17824 1689 1 4 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.445 0.429 17824 1690 1 4 . 1 1 103 103 PHE H H 103 8.827 8.827 8.773 0.054 17824 1691 1 4 . 1 1 104 104 GLN N N 104 122.896 122.896 127.408 -4.512 17824 1692 1 4 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.172 0.114 17824 1693 1 4 . 1 1 104 104 GLN C C 104 175.487 175.487 175.518 -0.031 17824 1694 1 4 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.971 -1.702 17824 1695 1 4 . 1 1 104 104 GLN CB C 104 30.546 30.546 29.909 0.637 17824 1696 1 4 . 1 1 104 104 GLN H H 104 9.119 9.119 8.833 0.286 17824 1697 1 4 . 1 1 105 105 LYS N N 105 121.917 121.917 116.285 5.632 17824 1698 1 4 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.423 0.013 17824 1699 1 4 . 1 1 105 105 LYS C C 105 175.219 175.219 174.052 1.167 17824 1700 1 4 . 1 1 105 105 LYS CA C 105 56.282 56.282 56.026 0.256 17824 1701 1 4 . 1 1 105 105 LYS CB C 105 33.804 33.804 35.237 -1.433 17824 1702 1 4 . 1 1 105 105 LYS H H 105 8.308 8.308 7.866 0.442 17824 1703 1 4 . 1 1 106 106 TYR N N 106 121.451 121.451 122.352 -0.901 17824 1704 1 4 . 1 1 106 106 TYR HA H 106 4.814 4.814 5.078 -0.264 17824 1705 1 4 . 1 1 106 106 TYR C C 106 176.017 176.017 175.649 0.368 17824 1706 1 4 . 1 1 106 106 TYR CA C 106 57.828 57.828 55.378 2.450 17824 1707 1 4 . 1 1 106 106 TYR CB C 106 39.606 39.606 39.273 0.333 17824 1708 1 4 . 1 1 106 106 TYR H H 106 8.431 8.431 8.069 0.362 17824 1709 1 4 . 1 1 107 107 GLY N N 107 110.965 110.965 114.964 -3.999 17824 1710 1 4 . 1 1 107 107 GLY C C 107 172.723 172.723 173.076 -0.353 17824 1711 1 4 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.575 0.707 17824 1712 1 4 . 1 1 107 107 GLY H H 107 8.395 8.395 8.889 -0.494 17824 1713 1 5 . 1 1 35 35 TRP N N 35 118.681 118.681 122.319 -3.638 17824 1714 1 5 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.888 -0.245 17824 1715 1 5 . 1 1 35 35 TRP C C 35 175.833 175.833 175.096 0.737 17824 1716 1 5 . 1 1 35 35 TRP CA C 35 56.900 56.900 55.588 1.312 17824 1717 1 5 . 1 1 35 35 TRP CB C 35 29.375 29.375 30.251 -0.876 17824 1718 1 5 . 1 1 35 35 TRP H H 35 7.831 7.831 8.184 -0.353 17824 1719 1 5 . 1 1 36 36 ASP N N 36 121.178 121.178 121.268 -0.090 17824 1720 1 5 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.556 0.018 17824 1721 1 5 . 1 1 36 36 ASP C C 36 175.821 175.821 176.373 -0.552 17824 1722 1 5 . 1 1 36 36 ASP CA C 36 54.622 54.622 54.812 -0.190 17824 1723 1 5 . 1 1 36 36 ASP CB C 36 41.150 41.150 41.180 -0.030 17824 1724 1 5 . 1 1 36 36 ASP H H 36 8.111 8.111 8.339 -0.228 17824 1725 1 5 . 1 1 37 37 ILE N N 37 120.177 120.177 118.608 1.569 17824 1726 1 5 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.417 -0.261 17824 1727 1 5 . 1 1 37 37 ILE C C 37 175.817 175.817 174.877 0.940 17824 1728 1 5 . 1 1 37 37 ILE CA C 37 61.638 61.638 59.289 2.349 17824 1729 1 5 . 1 1 37 37 ILE CB C 37 39.034 39.034 40.747 -1.713 17824 1730 1 5 . 1 1 37 37 ILE H H 37 7.820 7.820 7.787 0.033 17824 1731 1 5 . 1 1 38 38 VAL N N 38 124.844 124.844 121.517 3.327 17824 1732 1 5 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.128 0.032 17824 1733 1 5 . 1 1 38 38 VAL C C 38 176.102 176.102 176.876 -0.774 17824 1734 1 5 . 1 1 38 38 VAL CA C 38 62.055 62.055 62.022 0.033 17824 1735 1 5 . 1 1 38 38 VAL CB C 38 32.764 32.764 32.561 0.203 17824 1736 1 5 . 1 1 38 38 VAL H H 38 8.203 8.203 8.230 -0.027 17824 1737 1 5 . 1 1 39 39 VAL N N 39 123.813 123.813 121.451 2.362 17824 1738 1 5 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.857 0.281 17824 1739 1 5 . 1 1 39 39 VAL C C 39 174.919 174.919 175.111 -0.192 17824 1740 1 5 . 1 1 39 39 VAL CA C 39 62.605 62.605 62.159 0.446 17824 1741 1 5 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.344 1.481 17824 1742 1 5 . 1 1 39 39 VAL H H 39 8.163 8.163 8.383 -0.220 17824 1743 1 5 . 1 1 40 40 ASP N N 40 122.074 122.074 118.729 3.345 17824 1744 1 5 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.556 -0.088 17824 1745 1 5 . 1 1 40 40 ASP C C 40 174.408 174.408 175.213 -0.805 17824 1746 1 5 . 1 1 40 40 ASP CA C 40 54.389 54.389 55.519 -1.130 17824 1747 1 5 . 1 1 40 40 ASP CB C 40 41.155 41.155 41.236 -0.081 17824 1748 1 5 . 1 1 40 40 ASP H H 40 8.154 8.154 8.235 -0.081 17824 1749 1 5 . 1 1 41 41 ASN N N 41 115.983 115.983 116.370 -0.387 17824 1750 1 5 . 1 1 41 41 ASN HA H 41 4.762 4.762 5.107 -0.345 17824 1751 1 5 . 1 1 41 41 ASN C C 41 174.643 174.643 173.654 0.989 17824 1752 1 5 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.675 -0.349 17824 1753 1 5 . 1 1 41 41 ASN CB C 41 40.384 40.384 42.013 -1.629 17824 1754 1 5 . 1 1 41 41 ASN H H 41 7.901 7.901 7.477 0.424 17824 1755 1 5 . 1 1 42 42 CYS N N 42 123.612 123.612 122.929 0.683 17824 1756 1 5 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.438 -0.152 17824 1757 1 5 . 1 1 42 42 CYS C C 42 176.756 176.756 175.538 1.218 17824 1758 1 5 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.660 0.140 17824 1759 1 5 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.654 4.120 17824 1760 1 5 . 1 1 42 42 CYS H H 42 8.503 8.503 8.456 0.047 17824 1761 1 5 . 1 1 43 43 ALA N N 43 132.181 132.181 131.334 0.847 17824 1762 1 5 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.093 0.072 17824 1763 1 5 . 1 1 43 43 ALA C C 43 177.706 177.706 177.959 -0.253 17824 1764 1 5 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.364 -0.721 17824 1765 1 5 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.295 1.116 17824 1766 1 5 . 1 1 43 43 ALA H H 43 9.493 9.493 8.844 0.649 17824 1767 1 5 . 1 1 44 44 ILE N N 44 116.079 116.079 115.323 0.756 17824 1768 1 5 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.795 0.001 17824 1769 1 5 . 1 1 44 44 ILE C C 44 176.208 176.208 176.969 -0.761 17824 1770 1 5 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.139 1.393 17824 1771 1 5 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.956 1.135 17824 1772 1 5 . 1 1 44 44 ILE H H 44 7.956 7.956 7.627 0.329 17824 1773 1 5 . 1 1 45 45 CYS N N 45 116.456 116.456 113.973 2.483 17824 1774 1 5 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.537 0.487 17824 1775 1 5 . 1 1 45 45 CYS C C 45 175.747 175.747 175.127 0.620 17824 1776 1 5 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.427 1.754 17824 1777 1 5 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.501 3.377 17824 1778 1 5 . 1 1 45 45 CYS H H 45 7.818 7.818 7.607 0.211 17824 1779 1 5 . 1 1 46 46 ARG N N 46 117.125 117.125 121.718 -4.593 17824 1780 1 5 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.077 -0.072 17824 1781 1 5 . 1 1 46 46 ARG C C 46 175.539 175.539 174.308 1.231 17824 1782 1 5 . 1 1 46 46 ARG CA C 46 59.784 59.784 57.150 2.634 17824 1783 1 5 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.711 -1.117 17824 1784 1 5 . 1 1 46 46 ARG H H 46 8.511 8.511 8.080 0.431 17824 1785 1 5 . 1 1 47 47 ASN N N 47 121.377 121.377 114.849 6.528 17824 1786 1 5 . 1 1 47 47 ASN HA H 47 5.012 5.012 5.149 -0.137 17824 1787 1 5 . 1 1 47 47 ASN C C 47 175.537 175.537 173.779 1.758 17824 1788 1 5 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.785 -2.763 17824 1789 1 5 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.889 -2.874 17824 1790 1 5 . 1 1 47 47 ASN H H 47 8.720 8.720 7.825 0.895 17824 1791 1 5 . 1 1 48 48 HIS N N 48 122.235 122.235 118.591 3.644 17824 1792 1 5 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.563 -0.064 17824 1793 1 5 . 1 1 48 48 HIS C C 48 177.722 177.722 176.283 1.439 17824 1794 1 5 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.606 1.266 17824 1795 1 5 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.709 -0.989 17824 1796 1 5 . 1 1 48 48 HIS H H 48 9.226 9.226 8.845 0.381 17824 1797 1 5 . 1 1 49 49 ILE N N 49 126.643 126.643 123.739 2.904 17824 1798 1 5 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.631 -0.231 17824 1799 1 5 . 1 1 49 49 ILE CA C 49 61.488 61.488 63.273 -1.785 17824 1800 1 5 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.466 0.505 17824 1801 1 5 . 1 1 49 49 ILE H H 49 7.991 7.991 7.680 0.311 17824 1802 1 5 . 1 1 50 50 MET HA H 50 4.268 4.268 4.817 -0.549 17824 1803 1 5 . 1 1 50 50 MET C C 50 177.236 177.236 174.485 2.751 17824 1804 1 5 . 1 1 50 50 MET CA C 50 54.795 54.795 53.568 1.227 17824 1805 1 5 . 1 1 50 50 MET CB C 50 31.357 31.357 31.615 -0.258 17824 1806 1 5 . 1 1 51 51 ASP N N 51 121.143 121.143 122.948 -1.805 17824 1807 1 5 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.169 -0.156 17824 1808 1 5 . 1 1 51 51 ASP C C 51 176.770 176.770 175.179 1.591 17824 1809 1 5 . 1 1 51 51 ASP CA C 51 50.103 50.103 53.710 -3.607 17824 1810 1 5 . 1 1 51 51 ASP CB C 51 43.285 43.285 44.038 -0.753 17824 1811 1 5 . 1 1 51 51 ASP H H 51 7.854 7.854 7.993 -0.139 17824 1812 1 5 . 1 1 52 52 LEU N N 52 119.501 119.501 121.328 -1.827 17824 1813 1 5 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.358 -0.012 17824 1814 1 5 . 1 1 52 52 LEU C C 52 177.049 177.049 176.391 0.658 17824 1815 1 5 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.370 0.062 17824 1816 1 5 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.836 0.519 17824 1817 1 5 . 1 1 52 52 LEU H H 52 8.484 8.484 8.598 -0.114 17824 1818 1 5 . 1 1 53 53 CYS N N 53 120.790 120.790 117.080 3.710 17824 1819 1 5 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.723 -0.877 17824 1820 1 5 . 1 1 53 53 CYS C C 53 175.247 175.247 176.590 -1.343 17824 1821 1 5 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.081 -0.250 17824 1822 1 5 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.772 2.872 17824 1823 1 5 . 1 1 53 53 CYS H H 53 8.151 8.151 8.208 -0.057 17824 1824 1 5 . 1 1 54 54 ILE N N 54 116.790 116.790 120.016 -3.226 17824 1825 1 5 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.672 0.263 17824 1826 1 5 . 1 1 54 54 ILE C C 54 176.615 176.615 177.874 -1.259 17824 1827 1 5 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.476 -1.570 17824 1828 1 5 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.200 1.833 17824 1829 1 5 . 1 1 54 54 ILE H H 54 6.626 6.626 8.726 -2.100 17824 1830 1 5 . 1 1 55 55 GLU N N 55 123.451 123.451 120.063 3.388 17824 1831 1 5 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.150 0.004 17824 1832 1 5 . 1 1 55 55 GLU C C 55 179.075 179.075 178.879 0.196 17824 1833 1 5 . 1 1 55 55 GLU CA C 55 59.781 59.781 59.065 0.716 17824 1834 1 5 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.372 1.092 17824 1835 1 5 . 1 1 55 55 GLU H H 55 7.642 7.642 8.621 -0.979 17824 1836 1 5 . 1 1 56 56 CYS N N 56 124.445 124.445 117.372 7.073 17824 1837 1 5 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.048 -0.060 17824 1838 1 5 . 1 1 56 56 CYS C C 56 178.290 178.290 177.039 1.251 17824 1839 1 5 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.527 2.451 17824 1840 1 5 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.001 3.651 17824 1841 1 5 . 1 1 56 56 CYS H H 56 8.676 8.676 8.353 0.323 17824 1842 1 5 . 1 1 57 57 GLN N N 57 117.736 117.736 119.755 -2.019 17824 1843 1 5 . 1 1 57 57 GLN HA H 57 3.892 3.892 3.975 -0.083 17824 1844 1 5 . 1 1 57 57 GLN C C 57 177.428 177.428 177.836 -0.408 17824 1845 1 5 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.525 0.347 17824 1846 1 5 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.866 0.961 17824 1847 1 5 . 1 1 57 57 GLN H H 57 8.419 8.419 8.083 0.336 17824 1848 1 5 . 1 1 58 58 ALA N N 58 119.578 119.578 122.006 -2.428 17824 1849 1 5 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.158 0.119 17824 1850 1 5 . 1 1 58 58 ALA C C 58 178.087 178.087 179.160 -1.073 17824 1851 1 5 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.941 -0.419 17824 1852 1 5 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.477 0.540 17824 1853 1 5 . 1 1 58 58 ALA H H 58 7.335 7.335 7.758 -0.423 17824 1854 1 5 . 1 1 59 59 ASN N N 59 116.209 116.209 115.771 0.438 17824 1855 1 5 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.558 0.260 17824 1856 1 5 . 1 1 59 59 ASN C C 59 175.372 175.372 175.779 -0.407 17824 1857 1 5 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.573 -1.915 17824 1858 1 5 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.207 -0.098 17824 1859 1 5 . 1 1 59 59 ASN H H 59 7.617 7.617 8.298 -0.681 17824 1860 1 5 . 1 1 60 60 GLN N N 60 120.078 120.078 116.555 3.523 17824 1861 1 5 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.919 0.293 17824 1862 1 5 . 1 1 60 60 GLN C C 60 176.218 176.218 174.054 2.164 17824 1863 1 5 . 1 1 60 60 GLN CA C 60 57.310 57.310 55.984 1.326 17824 1864 1 5 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.214 2.436 17824 1865 1 5 . 1 1 60 60 GLN H H 60 8.116 8.116 7.705 0.411 17824 1866 1 5 . 1 1 61 61 ALA N N 61 122.298 122.298 123.435 -1.137 17824 1867 1 5 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.449 -0.131 17824 1868 1 5 . 1 1 61 61 ALA C C 61 177.964 177.964 177.894 0.070 17824 1869 1 5 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.144 1.296 17824 1870 1 5 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.805 -1.153 17824 1871 1 5 . 1 1 61 61 ALA H H 61 8.345 8.345 7.635 0.710 17824 1872 1 5 . 1 1 62 62 SER N N 62 113.232 113.232 118.326 -5.094 17824 1873 1 5 . 1 1 62 62 SER HA H 62 4.454 4.454 4.405 0.049 17824 1874 1 5 . 1 1 62 62 SER C C 62 174.747 174.747 173.993 0.754 17824 1875 1 5 . 1 1 62 62 SER CA C 62 58.197 58.197 58.586 -0.389 17824 1876 1 5 . 1 1 62 62 SER CB C 62 63.906 63.906 60.947 2.959 17824 1877 1 5 . 1 1 62 62 SER H H 62 8.011 8.011 8.556 -0.545 17824 1878 1 5 . 1 1 63 63 ALA N N 63 125.573 125.573 126.801 -1.228 17824 1879 1 5 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.579 -0.396 17824 1880 1 5 . 1 1 63 63 ALA C C 63 178.091 178.091 175.969 2.122 17824 1881 1 5 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.006 1.000 17824 1882 1 5 . 1 1 63 63 ALA CB C 63 18.756 18.756 20.591 -1.835 17824 1883 1 5 . 1 1 63 63 ALA H H 63 8.323 8.323 7.782 0.541 17824 1884 1 5 . 1 1 64 64 THR N N 64 111.006 111.006 115.571 -4.565 17824 1885 1 5 . 1 1 64 64 THR HA H 64 4.495 4.495 4.322 0.173 17824 1886 1 5 . 1 1 64 64 THR C C 64 175.346 175.346 175.387 -0.041 17824 1887 1 5 . 1 1 64 64 THR CA C 64 61.903 61.903 62.983 -1.080 17824 1888 1 5 . 1 1 64 64 THR CB C 64 69.903 69.903 69.157 0.746 17824 1889 1 5 . 1 1 64 64 THR H H 64 8.071 8.071 8.525 -0.454 17824 1890 1 5 . 1 1 65 65 SER N N 65 118.037 118.037 119.851 -1.814 17824 1891 1 5 . 1 1 65 65 SER HA H 65 4.524 4.524 4.413 0.111 17824 1892 1 5 . 1 1 65 65 SER C C 65 175.131 175.131 175.616 -0.485 17824 1893 1 5 . 1 1 65 65 SER CA C 65 59.795 59.795 60.030 -0.235 17824 1894 1 5 . 1 1 65 65 SER CB C 65 63.833 63.833 63.594 0.239 17824 1895 1 5 . 1 1 65 65 SER H H 65 8.328 8.328 8.549 -0.221 17824 1896 1 5 . 1 1 66 66 GLU N N 66 121.505 121.505 120.669 0.836 17824 1897 1 5 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.150 0.164 17824 1898 1 5 . 1 1 66 66 GLU C C 66 176.394 176.394 175.856 0.538 17824 1899 1 5 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.696 -1.701 17824 1900 1 5 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.017 0.293 17824 1901 1 5 . 1 1 66 66 GLU H H 66 8.368 8.368 8.376 -0.008 17824 1902 1 5 . 1 1 67 67 GLU N N 67 119.409 119.409 113.402 6.007 17824 1903 1 5 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.650 -0.359 17824 1904 1 5 . 1 1 67 67 GLU C C 67 175.079 175.079 175.193 -0.114 17824 1905 1 5 . 1 1 67 67 GLU CA C 67 56.480 56.480 55.039 1.441 17824 1906 1 5 . 1 1 67 67 GLU CB C 67 29.931 29.931 30.790 -0.859 17824 1907 1 5 . 1 1 67 67 GLU H H 67 8.074 8.074 7.867 0.207 17824 1908 1 5 . 1 1 68 68 CYS N N 68 126.937 126.937 123.600 3.337 17824 1909 1 5 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.466 -0.178 17824 1910 1 5 . 1 1 68 68 CYS C C 68 174.423 174.423 174.205 0.218 17824 1911 1 5 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.503 -0.694 17824 1912 1 5 . 1 1 68 68 CYS CB C 68 28.670 28.670 27.851 0.819 17824 1913 1 5 . 1 1 68 68 CYS H H 68 8.340 8.340 8.542 -0.202 17824 1914 1 5 . 1 1 69 69 THR N N 69 116.442 116.442 107.852 8.590 17824 1915 1 5 . 1 1 69 69 THR HA H 69 4.891 4.891 4.552 0.339 17824 1916 1 5 . 1 1 69 69 THR C C 69 175.561 175.561 172.792 2.769 17824 1917 1 5 . 1 1 69 69 THR CA C 69 60.817 60.817 61.819 -1.002 17824 1918 1 5 . 1 1 69 69 THR CB C 69 71.654 71.654 70.766 0.887 17824 1919 1 5 . 1 1 69 69 THR H H 69 7.497 7.497 7.466 0.031 17824 1920 1 5 . 1 1 70 70 VAL N N 70 123.637 123.637 122.928 0.709 17824 1921 1 5 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.775 -0.440 17824 1922 1 5 . 1 1 70 70 VAL C C 70 174.368 174.368 172.942 1.426 17824 1923 1 5 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.361 2.581 17824 1924 1 5 . 1 1 70 70 VAL CB C 70 33.897 33.897 35.925 -2.028 17824 1925 1 5 . 1 1 70 70 VAL H H 70 8.862 8.862 8.341 0.521 17824 1926 1 5 . 1 1 71 71 ALA N N 71 128.540 128.540 128.138 0.402 17824 1927 1 5 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.726 0.560 17824 1928 1 5 . 1 1 71 71 ALA C C 71 174.520 174.520 175.309 -0.789 17824 1929 1 5 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.661 0.111 17824 1930 1 5 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.607 1.368 17824 1931 1 5 . 1 1 71 71 ALA H H 71 9.247 9.247 8.770 0.477 17824 1932 1 5 . 1 1 72 72 TRP N N 72 120.167 120.167 121.451 -1.284 17824 1933 1 5 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.124 0.296 17824 1934 1 5 . 1 1 72 72 TRP C C 72 177.182 177.182 176.661 0.521 17824 1935 1 5 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.384 1.379 17824 1936 1 5 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.613 1.017 17824 1937 1 5 . 1 1 72 72 TRP H H 72 9.065 9.065 8.950 0.115 17824 1938 1 5 . 1 1 73 73 GLY N N 73 110.755 110.755 107.458 3.297 17824 1939 1 5 . 1 1 73 73 GLY C C 73 177.914 177.914 174.921 2.993 17824 1940 1 5 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.343 0.824 17824 1941 1 5 . 1 1 73 73 GLY H H 73 9.128 9.128 9.292 -0.164 17824 1942 1 5 . 1 1 74 74 VAL N N 74 122.747 122.747 125.192 -2.445 17824 1943 1 5 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.717 0.119 17824 1944 1 5 . 1 1 74 74 VAL C C 74 176.014 176.014 176.696 -0.682 17824 1945 1 5 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.257 -0.264 17824 1946 1 5 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.783 -0.063 17824 1947 1 5 . 1 1 74 74 VAL H H 74 8.299 8.299 8.297 0.002 17824 1948 1 5 . 1 1 75 75 CYS N N 75 116.720 116.720 116.144 0.576 17824 1949 1 5 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.388 -0.093 17824 1950 1 5 . 1 1 75 75 CYS C C 75 174.359 174.359 175.390 -1.031 17824 1951 1 5 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.800 0.416 17824 1952 1 5 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.416 4.285 17824 1953 1 5 . 1 1 75 75 CYS H H 75 7.567 7.567 8.023 -0.456 17824 1954 1 5 . 1 1 76 76 ASN N N 76 114.522 114.522 119.260 -4.738 17824 1955 1 5 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.212 0.222 17824 1956 1 5 . 1 1 76 76 ASN C C 76 173.726 173.726 173.103 0.623 17824 1957 1 5 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.267 1.385 17824 1958 1 5 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.028 0.920 17824 1959 1 5 . 1 1 76 76 ASN H H 76 8.060 8.060 7.948 0.112 17824 1960 1 5 . 1 1 77 77 HIS N N 77 117.754 117.754 115.686 2.068 17824 1961 1 5 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.709 0.008 17824 1962 1 5 . 1 1 77 77 HIS C C 77 172.650 172.650 173.357 -0.707 17824 1963 1 5 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.345 3.481 17824 1964 1 5 . 1 1 77 77 HIS CB C 77 32.889 32.889 33.561 -0.672 17824 1965 1 5 . 1 1 77 77 HIS H H 77 7.797 7.797 7.635 0.162 17824 1966 1 5 . 1 1 78 78 ALA N N 78 122.889 122.889 122.673 0.216 17824 1967 1 5 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.185 -0.236 17824 1968 1 5 . 1 1 78 78 ALA C C 78 174.873 174.873 174.864 0.009 17824 1969 1 5 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.596 -2.067 17824 1970 1 5 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.764 -1.687 17824 1971 1 5 . 1 1 78 78 ALA H H 78 7.811 7.811 8.234 -0.423 17824 1972 1 5 . 1 1 79 79 PHE N N 79 113.618 113.618 120.376 -6.758 17824 1973 1 5 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.641 0.058 17824 1974 1 5 . 1 1 79 79 PHE C C 79 176.138 176.138 174.449 1.689 17824 1975 1 5 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.795 -1.446 17824 1976 1 5 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.248 2.337 17824 1977 1 5 . 1 1 79 79 PHE H H 79 8.377 8.377 8.457 -0.080 17824 1978 1 5 . 1 1 80 80 HIS N N 80 118.823 118.823 120.135 -1.312 17824 1979 1 5 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.843 -0.014 17824 1980 1 5 . 1 1 80 80 HIS C C 80 177.268 177.268 176.503 0.765 17824 1981 1 5 . 1 1 80 80 HIS CA C 80 60.949 60.949 55.860 5.089 17824 1982 1 5 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.629 -0.894 17824 1983 1 5 . 1 1 80 80 HIS H H 80 8.429 8.429 8.267 0.162 17824 1984 1 5 . 1 1 81 81 PHE N N 81 129.040 129.040 126.231 2.809 17824 1985 1 5 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.224 0.115 17824 1986 1 5 . 1 1 81 81 PHE C C 81 178.911 178.911 176.816 2.095 17824 1987 1 5 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.295 -0.457 17824 1988 1 5 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.577 -0.521 17824 1989 1 5 . 1 1 81 81 PHE H H 81 9.881 9.881 8.661 1.220 17824 1990 1 5 . 1 1 82 82 HIS N N 82 120.611 120.611 119.471 1.140 17824 1991 1 5 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.080 0.206 17824 1992 1 5 . 1 1 82 82 HIS C C 82 177.694 177.694 177.197 0.497 17824 1993 1 5 . 1 1 82 82 HIS CA C 82 58.904 58.904 60.043 -1.139 17824 1994 1 5 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.954 2.878 17824 1995 1 5 . 1 1 82 82 HIS H H 82 10.457 10.457 8.156 2.301 17824 1996 1 5 . 1 1 83 83 CYS N N 83 117.628 117.628 117.097 0.531 17824 1997 1 5 . 1 1 83 83 CYS HA H 83 4.154 4.154 3.880 0.274 17824 1998 1 5 . 1 1 83 83 CYS C C 83 177.768 177.768 176.851 0.917 17824 1999 1 5 . 1 1 83 83 CYS CA C 83 62.968 62.968 63.016 -0.048 17824 2000 1 5 . 1 1 83 83 CYS CB C 83 28.904 28.904 25.919 2.986 17824 2001 1 5 . 1 1 83 83 CYS H H 83 6.933 6.933 8.396 -1.463 17824 2002 1 5 . 1 1 84 84 ILE N N 84 119.139 119.139 120.328 -1.189 17824 2003 1 5 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.305 0.537 17824 2004 1 5 . 1 1 84 84 ILE C C 84 175.705 175.705 177.032 -1.327 17824 2005 1 5 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.476 -3.599 17824 2006 1 5 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.544 0.533 17824 2007 1 5 . 1 1 84 84 ILE H H 84 8.290 8.290 8.694 -0.404 17824 2008 1 5 . 1 1 85 85 SER N N 85 118.224 118.224 116.404 1.820 17824 2009 1 5 . 1 1 85 85 SER HA H 85 3.995 3.995 4.024 -0.029 17824 2010 1 5 . 1 1 85 85 SER C C 85 176.097 176.097 176.667 -0.570 17824 2011 1 5 . 1 1 85 85 SER CA C 85 62.841 62.841 62.306 0.535 17824 2012 1 5 . 1 1 85 85 SER CB C 85 62.009 62.009 62.523 -0.514 17824 2013 1 5 . 1 1 85 85 SER H H 85 8.157 8.157 8.081 0.076 17824 2014 1 5 . 1 1 86 86 ARG N N 86 120.496 120.496 121.310 -0.814 17824 2015 1 5 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.072 -0.048 17824 2016 1 5 . 1 1 86 86 ARG C C 86 179.382 179.382 178.161 1.221 17824 2017 1 5 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.011 1.854 17824 2018 1 5 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.448 0.412 17824 2019 1 5 . 1 1 86 86 ARG H H 86 7.174 7.174 7.569 -0.395 17824 2020 1 5 . 1 1 87 87 TRP N N 87 123.951 123.951 122.054 1.897 17824 2021 1 5 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.228 -0.069 17824 2022 1 5 . 1 1 87 87 TRP C C 87 177.572 177.572 177.902 -0.330 17824 2023 1 5 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.265 0.659 17824 2024 1 5 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.267 -0.021 17824 2025 1 5 . 1 1 87 87 TRP H H 87 7.981 7.981 8.303 -0.322 17824 2026 1 5 . 1 1 88 88 LEU N N 88 116.707 116.707 117.319 -0.612 17824 2027 1 5 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.394 0.369 17824 2028 1 5 . 1 1 88 88 LEU C C 88 178.008 178.008 179.115 -1.107 17824 2029 1 5 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.644 -0.916 17824 2030 1 5 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.656 0.540 17824 2031 1 5 . 1 1 88 88 LEU H H 88 8.246 8.246 8.225 0.021 17824 2032 1 5 . 1 1 89 89 LYS N N 89 117.240 117.240 118.307 -1.067 17824 2033 1 5 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.050 0.031 17824 2034 1 5 . 1 1 89 89 LYS C C 89 178.385 178.385 177.725 0.660 17824 2035 1 5 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.811 0.100 17824 2036 1 5 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.526 -0.222 17824 2037 1 5 . 1 1 89 89 LYS H H 89 7.309 7.309 7.623 -0.314 17824 2038 1 5 . 1 1 90 90 THR N N 90 106.446 106.446 110.173 -3.727 17824 2039 1 5 . 1 1 90 90 THR HA H 90 4.383 4.383 4.273 0.110 17824 2040 1 5 . 1 1 90 90 THR C C 90 173.919 173.919 174.027 -0.108 17824 2041 1 5 . 1 1 90 90 THR CA C 90 62.069 62.069 61.655 0.414 17824 2042 1 5 . 1 1 90 90 THR CB C 90 70.133 70.133 70.060 0.073 17824 2043 1 5 . 1 1 90 90 THR H H 90 7.452 7.452 7.500 -0.048 17824 2044 1 5 . 1 1 91 91 ARG N N 91 121.616 121.616 120.439 1.177 17824 2045 1 5 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.503 -0.098 17824 2046 1 5 . 1 1 91 91 ARG C C 91 174.754 174.754 175.545 -0.791 17824 2047 1 5 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.419 1.414 17824 2048 1 5 . 1 1 91 91 ARG CB C 91 33.885 33.885 31.545 2.340 17824 2049 1 5 . 1 1 91 91 ARG H H 91 7.426 7.426 7.995 -0.569 17824 2050 1 5 . 1 1 92 92 GLN N N 92 118.161 118.161 121.178 -3.017 17824 2051 1 5 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.321 0.387 17824 2052 1 5 . 1 1 92 92 GLN C C 92 176.437 176.437 174.852 1.585 17824 2053 1 5 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.596 -1.813 17824 2054 1 5 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.992 -1.034 17824 2055 1 5 . 1 1 92 92 GLN H H 92 8.526 8.526 8.703 -0.176 17824 2056 1 5 . 1 1 93 93 VAL N N 93 109.557 109.557 111.770 -2.213 17824 2057 1 5 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.998 0.067 17824 2058 1 5 . 1 1 93 93 VAL C C 93 174.806 174.806 175.468 -0.662 17824 2059 1 5 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.244 -0.896 17824 2060 1 5 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.441 0.867 17824 2061 1 5 . 1 1 93 93 VAL H H 93 7.083 7.083 7.195 -0.112 17824 2062 1 5 . 1 1 94 94 CYS N N 94 123.889 123.889 122.956 0.933 17824 2063 1 5 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.570 -0.066 17824 2064 1 5 . 1 1 94 94 CYS CA C 94 56.860 56.860 60.971 -4.111 17824 2065 1 5 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.651 4.114 17824 2066 1 5 . 1 1 94 94 CYS H H 94 9.020 9.020 9.269 -0.249 17824 2067 1 5 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.162 -0.082 17824 2068 1 5 . 1 1 95 95 PRO C C 95 177.037 177.037 177.040 -0.003 17824 2069 1 5 . 1 1 95 95 PRO CA C 95 63.998 63.998 65.238 -1.240 17824 2070 1 5 . 1 1 95 95 PRO CB C 95 31.662 31.662 31.163 0.499 17824 2071 1 5 . 1 1 96 96 LEU N N 96 118.497 118.497 115.106 3.391 17824 2072 1 5 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.338 -0.022 17824 2073 1 5 . 1 1 96 96 LEU C C 96 177.797 177.797 177.607 0.190 17824 2074 1 5 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.479 -0.667 17824 2075 1 5 . 1 1 96 96 LEU CB C 96 43.074 43.074 42.102 0.972 17824 2076 1 5 . 1 1 96 96 LEU H H 96 8.798 8.798 7.737 1.061 17824 2077 1 5 . 1 1 97 97 ASP N N 97 114.958 114.958 116.856 -1.898 17824 2078 1 5 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.623 0.329 17824 2079 1 5 . 1 1 97 97 ASP C C 97 175.946 175.946 176.610 -0.664 17824 2080 1 5 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.718 -1.006 17824 2081 1 5 . 1 1 97 97 ASP CB C 97 43.183 43.183 41.254 1.929 17824 2082 1 5 . 1 1 97 97 ASP H H 97 7.396 7.396 8.415 -1.019 17824 2083 1 5 . 1 1 98 98 ASN N N 98 115.407 115.407 114.718 0.689 17824 2084 1 5 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.525 -0.101 17824 2085 1 5 . 1 1 98 98 ASN C C 98 173.934 173.934 174.046 -0.112 17824 2086 1 5 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.416 0.886 17824 2087 1 5 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.890 1.106 17824 2088 1 5 . 1 1 98 98 ASN H H 98 8.332 8.332 8.178 0.154 17824 2089 1 5 . 1 1 99 99 ARG N N 99 119.005 119.005 118.802 0.203 17824 2090 1 5 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.635 -0.163 17824 2091 1 5 . 1 1 99 99 ARG C C 99 176.631 176.631 175.442 1.189 17824 2092 1 5 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.430 1.391 17824 2093 1 5 . 1 1 99 99 ARG CB C 99 30.970 30.970 31.997 -1.027 17824 2094 1 5 . 1 1 99 99 ARG H H 99 8.825 8.825 8.075 0.750 17824 2095 1 5 . 1 1 100 100 GLU N N 100 122.676 122.676 122.412 0.264 17824 2096 1 5 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.364 -0.214 17824 2097 1 5 . 1 1 100 100 GLU C C 100 176.647 176.647 176.057 0.590 17824 2098 1 5 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.435 0.913 17824 2099 1 5 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.214 -0.480 17824 2100 1 5 . 1 1 100 100 GLU H H 100 8.869 8.869 8.703 0.166 17824 2101 1 5 . 1 1 101 101 TRP N N 101 126.288 126.288 129.810 -3.522 17824 2102 1 5 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.680 -0.077 17824 2103 1 5 . 1 1 101 101 TRP C C 101 175.786 175.786 175.155 0.631 17824 2104 1 5 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.820 0.115 17824 2105 1 5 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.279 -0.521 17824 2106 1 5 . 1 1 101 101 TRP H H 101 8.437 8.437 8.307 0.130 17824 2107 1 5 . 1 1 102 102 GLU N N 102 127.912 127.912 125.085 2.827 17824 2108 1 5 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.302 -0.030 17824 2109 1 5 . 1 1 102 102 GLU C C 102 174.791 174.791 174.847 -0.056 17824 2110 1 5 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.076 0.648 17824 2111 1 5 . 1 1 102 102 GLU CB C 102 33.255 33.255 32.749 0.506 17824 2112 1 5 . 1 1 102 102 GLU H H 102 7.319 7.319 7.521 -0.202 17824 2113 1 5 . 1 1 103 103 PHE N N 103 122.445 122.445 123.836 -1.391 17824 2114 1 5 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.436 -0.068 17824 2115 1 5 . 1 1 103 103 PHE C C 103 176.419 176.419 175.700 0.719 17824 2116 1 5 . 1 1 103 103 PHE CA C 103 60.070 60.070 59.853 0.216 17824 2117 1 5 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.440 0.434 17824 2118 1 5 . 1 1 103 103 PHE H H 103 8.827 8.827 8.826 0.001 17824 2119 1 5 . 1 1 104 104 GLN N N 104 122.896 122.896 126.216 -3.320 17824 2120 1 5 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.566 -0.280 17824 2121 1 5 . 1 1 104 104 GLN C C 104 175.487 175.487 174.870 0.617 17824 2122 1 5 . 1 1 104 104 GLN CA C 104 56.270 56.270 56.537 -0.267 17824 2123 1 5 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.914 -0.368 17824 2124 1 5 . 1 1 104 104 GLN H H 104 9.119 9.119 8.927 0.192 17824 2125 1 5 . 1 1 105 105 LYS N N 105 121.917 121.917 117.011 4.906 17824 2126 1 5 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.554 -0.118 17824 2127 1 5 . 1 1 105 105 LYS C C 105 175.219 175.219 174.681 0.538 17824 2128 1 5 . 1 1 105 105 LYS CA C 105 56.282 56.282 55.715 0.567 17824 2129 1 5 . 1 1 105 105 LYS CB C 105 33.804 33.804 35.257 -1.453 17824 2130 1 5 . 1 1 105 105 LYS H H 105 8.308 8.308 7.827 0.481 17824 2131 1 5 . 1 1 106 106 TYR N N 106 121.451 121.451 119.668 1.783 17824 2132 1 5 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.439 0.375 17824 2133 1 5 . 1 1 106 106 TYR C C 106 176.017 176.017 176.882 -0.865 17824 2134 1 5 . 1 1 106 106 TYR CA C 106 57.828 57.828 59.563 -1.735 17824 2135 1 5 . 1 1 106 106 TYR CB C 106 39.606 39.606 39.260 0.346 17824 2136 1 5 . 1 1 106 106 TYR H H 106 8.431 8.431 8.544 -0.113 17824 2137 1 5 . 1 1 107 107 GLY N N 107 110.965 110.965 107.422 3.543 17824 2138 1 5 . 1 1 107 107 GLY C C 107 172.723 172.723 173.172 -0.449 17824 2139 1 5 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.703 0.579 17824 2140 1 5 . 1 1 107 107 GLY H H 107 8.395 8.395 8.030 0.365 17824 2141 1 6 . 1 1 35 35 TRP N N 35 118.681 118.681 123.168 -4.487 17824 2142 1 6 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.823 -0.180 17824 2143 1 6 . 1 1 35 35 TRP C C 35 175.833 175.833 174.603 1.230 17824 2144 1 6 . 1 1 35 35 TRP CA C 35 56.900 56.900 56.898 0.002 17824 2145 1 6 . 1 1 35 35 TRP CB C 35 29.375 29.375 30.125 -0.750 17824 2146 1 6 . 1 1 35 35 TRP H H 35 7.831 7.831 8.571 -0.740 17824 2147 1 6 . 1 1 36 36 ASP N N 36 121.178 121.178 127.865 -6.687 17824 2148 1 6 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.708 -0.134 17824 2149 1 6 . 1 1 36 36 ASP C C 36 175.821 175.821 175.184 0.637 17824 2150 1 6 . 1 1 36 36 ASP CA C 36 54.622 54.622 52.906 1.716 17824 2151 1 6 . 1 1 36 36 ASP CB C 36 41.150 41.150 44.253 -3.103 17824 2152 1 6 . 1 1 36 36 ASP H H 36 8.111 8.111 7.942 0.169 17824 2153 1 6 . 1 1 37 37 ILE N N 37 120.177 120.177 117.351 2.826 17824 2154 1 6 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.096 0.060 17824 2155 1 6 . 1 1 37 37 ILE C C 37 175.817 175.817 175.063 0.754 17824 2156 1 6 . 1 1 37 37 ILE CA C 37 61.638 61.638 60.983 0.655 17824 2157 1 6 . 1 1 37 37 ILE CB C 37 39.034 39.034 38.153 0.881 17824 2158 1 6 . 1 1 37 37 ILE H H 37 7.820 7.820 8.054 -0.234 17824 2159 1 6 . 1 1 38 38 VAL N N 38 124.844 124.844 122.807 2.037 17824 2160 1 6 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.005 0.155 17824 2161 1 6 . 1 1 38 38 VAL C C 38 176.102 176.102 175.704 0.398 17824 2162 1 6 . 1 1 38 38 VAL CA C 38 62.055 62.055 62.452 -0.397 17824 2163 1 6 . 1 1 38 38 VAL CB C 38 32.764 32.764 32.619 0.145 17824 2164 1 6 . 1 1 38 38 VAL H H 38 8.203 8.203 8.262 -0.059 17824 2165 1 6 . 1 1 39 39 VAL N N 39 123.813 123.813 118.923 4.890 17824 2166 1 6 . 1 1 39 39 VAL HA H 39 4.138 4.138 4.111 0.027 17824 2167 1 6 . 1 1 39 39 VAL C C 39 174.919 174.919 175.794 -0.875 17824 2168 1 6 . 1 1 39 39 VAL CA C 39 62.605 62.605 60.954 1.651 17824 2169 1 6 . 1 1 39 39 VAL CB C 39 32.825 32.825 32.591 0.234 17824 2170 1 6 . 1 1 39 39 VAL H H 39 8.163 8.163 8.140 0.023 17824 2171 1 6 . 1 1 40 40 ASP N N 40 122.074 122.074 116.516 5.558 17824 2172 1 6 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.395 0.073 17824 2173 1 6 . 1 1 40 40 ASP C C 40 174.408 174.408 175.340 -0.932 17824 2174 1 6 . 1 1 40 40 ASP CA C 40 54.389 54.389 53.776 0.613 17824 2175 1 6 . 1 1 40 40 ASP CB C 40 41.155 41.155 41.186 -0.031 17824 2176 1 6 . 1 1 40 40 ASP H H 40 8.154 8.154 8.276 -0.122 17824 2177 1 6 . 1 1 41 41 ASN N N 41 115.983 115.983 116.634 -0.651 17824 2178 1 6 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.951 -0.189 17824 2179 1 6 . 1 1 41 41 ASN C C 41 174.643 174.643 173.825 0.818 17824 2180 1 6 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.242 0.084 17824 2181 1 6 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.868 -1.484 17824 2182 1 6 . 1 1 41 41 ASN H H 41 7.901 7.901 7.371 0.530 17824 2183 1 6 . 1 1 42 42 CYS N N 42 123.612 123.612 123.020 0.592 17824 2184 1 6 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.596 -0.310 17824 2185 1 6 . 1 1 42 42 CYS C C 42 176.756 176.756 175.662 1.094 17824 2186 1 6 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.619 0.181 17824 2187 1 6 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.789 3.984 17824 2188 1 6 . 1 1 42 42 CYS H H 42 8.503 8.503 8.760 -0.257 17824 2189 1 6 . 1 1 43 43 ALA N N 43 132.181 132.181 132.132 0.049 17824 2190 1 6 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.170 -0.005 17824 2191 1 6 . 1 1 43 43 ALA C C 43 177.706 177.706 178.628 -0.922 17824 2192 1 6 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.318 -0.675 17824 2193 1 6 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.561 0.849 17824 2194 1 6 . 1 1 43 43 ALA H H 43 9.493 9.493 9.000 0.493 17824 2195 1 6 . 1 1 44 44 ILE N N 44 116.079 116.079 117.531 -1.452 17824 2196 1 6 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.511 0.285 17824 2197 1 6 . 1 1 44 44 ILE C C 44 176.208 176.208 176.843 -0.635 17824 2198 1 6 . 1 1 44 44 ILE CA C 44 64.532 64.532 64.282 0.250 17824 2199 1 6 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.919 1.173 17824 2200 1 6 . 1 1 44 44 ILE H H 44 7.956 7.956 7.830 0.126 17824 2201 1 6 . 1 1 45 45 CYS N N 45 116.456 116.456 112.865 3.591 17824 2202 1 6 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.742 0.281 17824 2203 1 6 . 1 1 45 45 CYS C C 45 175.747 175.747 175.256 0.491 17824 2204 1 6 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.619 1.562 17824 2205 1 6 . 1 1 45 45 CYS CB C 45 32.878 32.878 28.867 4.011 17824 2206 1 6 . 1 1 45 45 CYS H H 45 7.818 7.818 7.643 0.175 17824 2207 1 6 . 1 1 46 46 ARG N N 46 117.125 117.125 117.711 -0.586 17824 2208 1 6 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.126 -0.121 17824 2209 1 6 . 1 1 46 46 ARG C C 46 175.539 175.539 175.030 0.509 17824 2210 1 6 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.484 3.300 17824 2211 1 6 . 1 1 46 46 ARG CB C 46 26.594 26.594 26.786 -0.192 17824 2212 1 6 . 1 1 46 46 ARG H H 46 8.511 8.511 8.551 -0.040 17824 2213 1 6 . 1 1 47 47 ASN N N 47 121.377 121.377 117.034 4.343 17824 2214 1 6 . 1 1 47 47 ASN HA H 47 5.012 5.012 5.023 -0.011 17824 2215 1 6 . 1 1 47 47 ASN C C 47 175.537 175.537 173.974 1.563 17824 2216 1 6 . 1 1 47 47 ASN CA C 47 49.022 49.022 52.214 -3.192 17824 2217 1 6 . 1 1 47 47 ASN CB C 47 39.015 39.015 40.398 -1.383 17824 2218 1 6 . 1 1 47 47 ASN H H 47 8.720 8.720 7.605 1.115 17824 2219 1 6 . 1 1 48 48 HIS N N 48 122.235 122.235 118.284 3.951 17824 2220 1 6 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.769 -0.270 17824 2221 1 6 . 1 1 48 48 HIS C C 48 177.722 177.722 176.116 1.606 17824 2222 1 6 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.068 1.804 17824 2223 1 6 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.403 -0.683 17824 2224 1 6 . 1 1 48 48 HIS H H 48 9.226 9.226 8.726 0.500 17824 2225 1 6 . 1 1 49 49 ILE N N 49 126.643 126.643 122.087 4.556 17824 2226 1 6 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.600 -0.200 17824 2227 1 6 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.345 -0.857 17824 2228 1 6 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.949 0.022 17824 2229 1 6 . 1 1 49 49 ILE H H 49 7.991 7.991 7.692 0.299 17824 2230 1 6 . 1 1 50 50 MET HA H 50 4.268 4.268 4.681 -0.413 17824 2231 1 6 . 1 1 50 50 MET C C 50 177.236 177.236 174.560 2.676 17824 2232 1 6 . 1 1 50 50 MET CA C 50 54.795 54.795 54.659 0.136 17824 2233 1 6 . 1 1 50 50 MET CB C 50 31.357 31.357 32.445 -1.088 17824 2234 1 6 . 1 1 51 51 ASP N N 51 121.143 121.143 123.644 -2.501 17824 2235 1 6 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.119 -0.106 17824 2236 1 6 . 1 1 51 51 ASP C C 51 176.770 176.770 174.657 2.113 17824 2237 1 6 . 1 1 51 51 ASP CA C 51 50.103 50.103 53.655 -3.552 17824 2238 1 6 . 1 1 51 51 ASP CB C 51 43.285 43.285 43.841 -0.556 17824 2239 1 6 . 1 1 51 51 ASP H H 51 7.854 7.854 8.124 -0.270 17824 2240 1 6 . 1 1 52 52 LEU N N 52 119.501 119.501 121.591 -2.090 17824 2241 1 6 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.404 -0.058 17824 2242 1 6 . 1 1 52 52 LEU C C 52 177.049 177.049 176.493 0.556 17824 2243 1 6 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.495 -0.064 17824 2244 1 6 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.577 0.778 17824 2245 1 6 . 1 1 52 52 LEU H H 52 8.484 8.484 8.521 -0.036 17824 2246 1 6 . 1 1 53 53 CYS N N 53 120.790 120.790 117.831 2.959 17824 2247 1 6 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.511 -0.665 17824 2248 1 6 . 1 1 53 53 CYS C C 53 175.247 175.247 176.590 -1.343 17824 2249 1 6 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.546 -0.715 17824 2250 1 6 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.252 3.392 17824 2251 1 6 . 1 1 53 53 CYS H H 53 8.151 8.151 8.092 0.059 17824 2252 1 6 . 1 1 54 54 ILE N N 54 116.790 116.790 120.129 -3.339 17824 2253 1 6 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.741 0.194 17824 2254 1 6 . 1 1 54 54 ILE C C 54 176.615 176.615 178.266 -1.651 17824 2255 1 6 . 1 1 54 54 ILE CA C 54 63.906 63.906 64.676 -0.770 17824 2256 1 6 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.243 1.791 17824 2257 1 6 . 1 1 54 54 ILE H H 54 6.626 6.626 8.588 -1.962 17824 2258 1 6 . 1 1 55 55 GLU N N 55 123.451 123.451 119.741 3.710 17824 2259 1 6 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.096 0.058 17824 2260 1 6 . 1 1 55 55 GLU C C 55 179.075 179.075 178.326 0.749 17824 2261 1 6 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.779 1.002 17824 2262 1 6 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.413 1.051 17824 2263 1 6 . 1 1 55 55 GLU H H 55 7.642 7.642 8.420 -0.778 17824 2264 1 6 . 1 1 56 56 CYS N N 56 124.445 124.445 116.975 7.470 17824 2265 1 6 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.082 -0.094 17824 2266 1 6 . 1 1 56 56 CYS C C 56 178.290 178.290 177.022 1.268 17824 2267 1 6 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.777 2.201 17824 2268 1 6 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.054 3.598 17824 2269 1 6 . 1 1 56 56 CYS H H 56 8.676 8.676 8.247 0.429 17824 2270 1 6 . 1 1 57 57 GLN N N 57 117.736 117.736 121.235 -3.499 17824 2271 1 6 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.026 -0.134 17824 2272 1 6 . 1 1 57 57 GLN C C 57 177.428 177.428 177.408 0.020 17824 2273 1 6 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.575 0.297 17824 2274 1 6 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.360 1.468 17824 2275 1 6 . 1 1 57 57 GLN H H 57 8.419 8.419 8.009 0.410 17824 2276 1 6 . 1 1 58 58 ALA N N 58 119.578 119.578 120.987 -1.409 17824 2277 1 6 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.078 0.199 17824 2278 1 6 . 1 1 58 58 ALA C C 58 178.087 178.087 179.224 -1.137 17824 2279 1 6 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.409 0.113 17824 2280 1 6 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.711 0.306 17824 2281 1 6 . 1 1 58 58 ALA H H 58 7.335 7.335 7.586 -0.251 17824 2282 1 6 . 1 1 59 59 ASN N N 59 116.209 116.209 116.949 -0.740 17824 2283 1 6 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.552 0.266 17824 2284 1 6 . 1 1 59 59 ASN C C 59 175.372 175.372 175.711 -0.339 17824 2285 1 6 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.227 -1.569 17824 2286 1 6 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.246 -0.137 17824 2287 1 6 . 1 1 59 59 ASN H H 59 7.617 7.617 8.040 -0.423 17824 2288 1 6 . 1 1 60 60 GLN N N 60 120.078 120.078 116.425 3.653 17824 2289 1 6 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.933 0.279 17824 2290 1 6 . 1 1 60 60 GLN C C 60 176.218 176.218 174.469 1.749 17824 2291 1 6 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.529 0.781 17824 2292 1 6 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.111 2.539 17824 2293 1 6 . 1 1 60 60 GLN H H 60 8.116 8.116 8.021 0.095 17824 2294 1 6 . 1 1 61 61 ALA N N 61 122.298 122.298 125.226 -2.928 17824 2295 1 6 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.476 -0.158 17824 2296 1 6 . 1 1 61 61 ALA C C 61 177.964 177.964 177.496 0.468 17824 2297 1 6 . 1 1 61 61 ALA CA C 61 53.440 53.440 50.524 2.916 17824 2298 1 6 . 1 1 61 61 ALA CB C 61 18.652 18.652 20.832 -2.180 17824 2299 1 6 . 1 1 61 61 ALA H H 61 8.345 8.345 8.266 0.079 17824 2300 1 6 . 1 1 62 62 SER N N 62 113.232 113.232 116.777 -3.545 17824 2301 1 6 . 1 1 62 62 SER HA H 62 4.454 4.454 4.366 0.088 17824 2302 1 6 . 1 1 62 62 SER C C 62 174.747 174.747 172.988 1.759 17824 2303 1 6 . 1 1 62 62 SER CA C 62 58.197 58.197 59.441 -1.244 17824 2304 1 6 . 1 1 62 62 SER CB C 62 63.906 63.906 61.508 2.398 17824 2305 1 6 . 1 1 62 62 SER H H 62 8.011 8.011 8.394 -0.383 17824 2306 1 6 . 1 1 63 63 ALA N N 63 125.573 125.573 125.365 0.208 17824 2307 1 6 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.595 -0.412 17824 2308 1 6 . 1 1 63 63 ALA C C 63 178.091 178.091 175.896 2.195 17824 2309 1 6 . 1 1 63 63 ALA CA C 63 53.006 53.006 51.708 1.298 17824 2310 1 6 . 1 1 63 63 ALA CB C 63 18.756 18.756 22.393 -3.637 17824 2311 1 6 . 1 1 63 63 ALA H H 63 8.323 8.323 8.227 0.096 17824 2312 1 6 . 1 1 64 64 THR N N 64 111.006 111.006 116.683 -5.677 17824 2313 1 6 . 1 1 64 64 THR HA H 64 4.495 4.495 4.459 0.036 17824 2314 1 6 . 1 1 64 64 THR C C 64 175.346 175.346 175.391 -0.045 17824 2315 1 6 . 1 1 64 64 THR CA C 64 61.903 61.903 62.064 -0.161 17824 2316 1 6 . 1 1 64 64 THR CB C 64 69.903 69.903 69.329 0.574 17824 2317 1 6 . 1 1 64 64 THR H H 64 8.071 8.071 8.653 -0.582 17824 2318 1 6 . 1 1 65 65 SER N N 65 118.037 118.037 120.540 -2.503 17824 2319 1 6 . 1 1 65 65 SER HA H 65 4.524 4.524 4.382 0.142 17824 2320 1 6 . 1 1 65 65 SER C C 65 175.131 175.131 176.279 -1.148 17824 2321 1 6 . 1 1 65 65 SER CA C 65 59.795 59.795 60.960 -1.165 17824 2322 1 6 . 1 1 65 65 SER CB C 65 63.833 63.833 63.388 0.445 17824 2323 1 6 . 1 1 65 65 SER H H 65 8.328 8.328 8.697 -0.369 17824 2324 1 6 . 1 1 66 66 GLU N N 66 121.505 121.505 120.645 0.860 17824 2325 1 6 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.170 0.144 17824 2326 1 6 . 1 1 66 66 GLU C C 66 176.394 176.394 176.511 -0.117 17824 2327 1 6 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.692 -1.697 17824 2328 1 6 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.101 0.209 17824 2329 1 6 . 1 1 66 66 GLU H H 66 8.368 8.368 8.545 -0.177 17824 2330 1 6 . 1 1 67 67 GLU N N 67 119.409 119.409 113.838 5.571 17824 2331 1 6 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.732 -0.441 17824 2332 1 6 . 1 1 67 67 GLU C C 67 175.079 175.079 174.687 0.392 17824 2333 1 6 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.505 1.975 17824 2334 1 6 . 1 1 67 67 GLU CB C 67 29.931 29.931 30.136 -0.205 17824 2335 1 6 . 1 1 67 67 GLU H H 67 8.074 8.074 7.940 0.134 17824 2336 1 6 . 1 1 68 68 CYS N N 68 126.937 126.937 123.397 3.540 17824 2337 1 6 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.725 -0.437 17824 2338 1 6 . 1 1 68 68 CYS C C 68 174.423 174.423 174.383 0.040 17824 2339 1 6 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.177 -0.368 17824 2340 1 6 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.301 0.369 17824 2341 1 6 . 1 1 68 68 CYS H H 68 8.340 8.340 8.290 0.050 17824 2342 1 6 . 1 1 69 69 THR N N 69 116.442 116.442 112.071 4.371 17824 2343 1 6 . 1 1 69 69 THR HA H 69 4.891 4.891 4.634 0.257 17824 2344 1 6 . 1 1 69 69 THR C C 69 175.561 175.561 172.859 2.702 17824 2345 1 6 . 1 1 69 69 THR CA C 69 60.817 60.817 61.565 -0.748 17824 2346 1 6 . 1 1 69 69 THR CB C 69 71.654 71.654 71.485 0.169 17824 2347 1 6 . 1 1 69 69 THR H H 69 7.497 7.497 8.158 -0.661 17824 2348 1 6 . 1 1 70 70 VAL N N 70 123.637 123.637 123.918 -0.281 17824 2349 1 6 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.705 -0.370 17824 2350 1 6 . 1 1 70 70 VAL C C 70 174.368 174.368 173.068 1.300 17824 2351 1 6 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.859 2.083 17824 2352 1 6 . 1 1 70 70 VAL CB C 70 33.897 33.897 36.097 -2.200 17824 2353 1 6 . 1 1 70 70 VAL H H 70 8.862 8.862 8.363 0.499 17824 2354 1 6 . 1 1 71 71 ALA N N 71 128.540 128.540 127.016 1.524 17824 2355 1 6 . 1 1 71 71 ALA HA H 71 5.286 5.286 5.080 0.206 17824 2356 1 6 . 1 1 71 71 ALA C C 71 174.520 174.520 175.433 -0.913 17824 2357 1 6 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.579 0.193 17824 2358 1 6 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.808 1.167 17824 2359 1 6 . 1 1 71 71 ALA H H 71 9.247 9.247 8.938 0.309 17824 2360 1 6 . 1 1 72 72 TRP N N 72 120.167 120.167 122.260 -2.093 17824 2361 1 6 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.260 0.160 17824 2362 1 6 . 1 1 72 72 TRP C C 72 177.182 177.182 176.758 0.424 17824 2363 1 6 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.380 1.383 17824 2364 1 6 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.945 0.685 17824 2365 1 6 . 1 1 72 72 TRP H H 72 9.065 9.065 8.866 0.199 17824 2366 1 6 . 1 1 73 73 GLY N N 73 110.755 110.755 108.359 2.396 17824 2367 1 6 . 1 1 73 73 GLY C C 73 177.914 177.914 174.784 3.130 17824 2368 1 6 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.422 0.745 17824 2369 1 6 . 1 1 73 73 GLY H H 73 9.128 9.128 9.552 -0.424 17824 2370 1 6 . 1 1 74 74 VAL N N 74 122.747 122.747 125.414 -2.667 17824 2371 1 6 . 1 1 74 74 VAL HA H 74 3.836 3.836 4.045 -0.209 17824 2372 1 6 . 1 1 74 74 VAL C C 74 176.014 176.014 176.886 -0.872 17824 2373 1 6 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.196 -0.203 17824 2374 1 6 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.951 -0.231 17824 2375 1 6 . 1 1 74 74 VAL H H 74 8.299 8.299 8.445 -0.146 17824 2376 1 6 . 1 1 75 75 CYS N N 75 116.720 116.720 119.213 -2.493 17824 2377 1 6 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.392 -0.097 17824 2378 1 6 . 1 1 75 75 CYS C C 75 174.359 174.359 174.429 -0.070 17824 2379 1 6 . 1 1 75 75 CYS CA C 75 58.217 58.217 59.006 -0.789 17824 2380 1 6 . 1 1 75 75 CYS CB C 75 29.701 29.701 24.974 4.727 17824 2381 1 6 . 1 1 75 75 CYS H H 75 7.567 7.567 8.131 -0.564 17824 2382 1 6 . 1 1 76 76 ASN N N 76 114.522 114.522 118.968 -4.446 17824 2383 1 6 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.291 0.143 17824 2384 1 6 . 1 1 76 76 ASN C C 76 173.726 173.726 173.386 0.340 17824 2385 1 6 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.224 1.429 17824 2386 1 6 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.745 0.203 17824 2387 1 6 . 1 1 76 76 ASN H H 76 8.060 8.060 8.011 0.049 17824 2388 1 6 . 1 1 77 77 HIS N N 77 117.754 117.754 116.628 1.126 17824 2389 1 6 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.695 0.022 17824 2390 1 6 . 1 1 77 77 HIS C C 77 172.650 172.650 173.067 -0.417 17824 2391 1 6 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.528 3.298 17824 2392 1 6 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.244 -1.355 17824 2393 1 6 . 1 1 77 77 HIS H H 77 7.797 7.797 7.636 0.161 17824 2394 1 6 . 1 1 78 78 ALA N N 78 122.889 122.889 123.355 -0.466 17824 2395 1 6 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.372 -0.423 17824 2396 1 6 . 1 1 78 78 ALA C C 78 174.873 174.873 174.749 0.124 17824 2397 1 6 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.344 -1.815 17824 2398 1 6 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.841 -1.764 17824 2399 1 6 . 1 1 78 78 ALA H H 78 7.811 7.811 8.286 -0.475 17824 2400 1 6 . 1 1 79 79 PHE N N 79 113.618 113.618 119.718 -6.100 17824 2401 1 6 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.741 -0.042 17824 2402 1 6 . 1 1 79 79 PHE C C 79 176.138 176.138 174.633 1.505 17824 2403 1 6 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.967 -1.617 17824 2404 1 6 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.338 2.248 17824 2405 1 6 . 1 1 79 79 PHE H H 79 8.377 8.377 8.869 -0.492 17824 2406 1 6 . 1 1 80 80 HIS N N 80 118.823 118.823 120.353 -1.530 17824 2407 1 6 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.816 0.013 17824 2408 1 6 . 1 1 80 80 HIS C C 80 177.268 177.268 176.588 0.680 17824 2409 1 6 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.086 4.863 17824 2410 1 6 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.875 -1.140 17824 2411 1 6 . 1 1 80 80 HIS H H 80 8.429 8.429 8.484 -0.055 17824 2412 1 6 . 1 1 81 81 PHE N N 81 129.040 129.040 126.322 2.718 17824 2413 1 6 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.202 0.137 17824 2414 1 6 . 1 1 81 81 PHE C C 81 178.911 178.911 176.906 2.005 17824 2415 1 6 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.213 -0.375 17824 2416 1 6 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.313 -0.257 17824 2417 1 6 . 1 1 81 81 PHE H H 81 9.881 9.881 8.521 1.360 17824 2418 1 6 . 1 1 82 82 HIS N N 82 120.611 120.611 118.948 1.663 17824 2419 1 6 . 1 1 82 82 HIS HA H 82 4.286 4.286 3.989 0.297 17824 2420 1 6 . 1 1 82 82 HIS C C 82 177.694 177.694 176.873 0.821 17824 2421 1 6 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.874 -0.970 17824 2422 1 6 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.696 3.137 17824 2423 1 6 . 1 1 82 82 HIS H H 82 10.457 10.457 8.098 2.359 17824 2424 1 6 . 1 1 83 83 CYS N N 83 117.628 117.628 117.033 0.595 17824 2425 1 6 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.165 -0.011 17824 2426 1 6 . 1 1 83 83 CYS C C 83 177.768 177.768 176.660 1.108 17824 2427 1 6 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.555 0.413 17824 2428 1 6 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.136 2.768 17824 2429 1 6 . 1 1 83 83 CYS H H 83 6.933 6.933 8.374 -1.441 17824 2430 1 6 . 1 1 84 84 ILE N N 84 119.139 119.139 120.682 -1.543 17824 2431 1 6 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.461 0.381 17824 2432 1 6 . 1 1 84 84 ILE C C 84 175.705 175.705 176.995 -1.290 17824 2433 1 6 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.447 -3.570 17824 2434 1 6 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.703 0.374 17824 2435 1 6 . 1 1 84 84 ILE H H 84 8.290 8.290 8.802 -0.512 17824 2436 1 6 . 1 1 85 85 SER N N 85 118.224 118.224 116.162 2.062 17824 2437 1 6 . 1 1 85 85 SER HA H 85 3.995 3.995 3.898 0.097 17824 2438 1 6 . 1 1 85 85 SER C C 85 176.097 176.097 176.382 -0.285 17824 2439 1 6 . 1 1 85 85 SER CA C 85 62.841 62.841 62.330 0.511 17824 2440 1 6 . 1 1 85 85 SER CB C 85 62.009 62.009 62.248 -0.239 17824 2441 1 6 . 1 1 85 85 SER H H 85 8.157 8.157 8.201 -0.044 17824 2442 1 6 . 1 1 86 86 ARG N N 86 120.496 120.496 122.076 -1.580 17824 2443 1 6 . 1 1 86 86 ARG HA H 86 4.024 4.024 3.991 0.033 17824 2444 1 6 . 1 1 86 86 ARG C C 86 179.382 179.382 178.145 1.237 17824 2445 1 6 . 1 1 86 86 ARG CA C 86 59.865 59.865 59.220 0.645 17824 2446 1 6 . 1 1 86 86 ARG CB C 86 29.860 29.860 30.214 -0.354 17824 2447 1 6 . 1 1 86 86 ARG H H 86 7.174 7.174 7.394 -0.220 17824 2448 1 6 . 1 1 87 87 TRP N N 87 123.951 123.951 121.421 2.530 17824 2449 1 6 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.229 -0.070 17824 2450 1 6 . 1 1 87 87 TRP C C 87 177.572 177.572 178.612 -1.040 17824 2451 1 6 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.101 0.823 17824 2452 1 6 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.320 -0.074 17824 2453 1 6 . 1 1 87 87 TRP H H 87 7.981 7.981 8.265 -0.284 17824 2454 1 6 . 1 1 88 88 LEU N N 88 116.707 116.707 117.898 -1.191 17824 2455 1 6 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.179 0.584 17824 2456 1 6 . 1 1 88 88 LEU C C 88 178.008 178.008 178.806 -0.798 17824 2457 1 6 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.675 -0.947 17824 2458 1 6 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.707 0.489 17824 2459 1 6 . 1 1 88 88 LEU H H 88 8.246 8.246 8.212 0.034 17824 2460 1 6 . 1 1 89 89 LYS N N 89 117.240 117.240 118.423 -1.183 17824 2461 1 6 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.029 0.052 17824 2462 1 6 . 1 1 89 89 LYS C C 89 178.385 178.385 177.626 0.759 17824 2463 1 6 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.844 0.067 17824 2464 1 6 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.700 -0.396 17824 2465 1 6 . 1 1 89 89 LYS H H 89 7.309 7.309 7.829 -0.520 17824 2466 1 6 . 1 1 90 90 THR N N 90 106.446 106.446 108.070 -1.624 17824 2467 1 6 . 1 1 90 90 THR HA H 90 4.383 4.383 4.235 0.148 17824 2468 1 6 . 1 1 90 90 THR C C 90 173.919 173.919 174.766 -0.847 17824 2469 1 6 . 1 1 90 90 THR CA C 90 62.069 62.069 62.407 -0.338 17824 2470 1 6 . 1 1 90 90 THR CB C 90 70.133 70.133 69.980 0.153 17824 2471 1 6 . 1 1 90 90 THR H H 90 7.452 7.452 7.508 -0.057 17824 2472 1 6 . 1 1 91 91 ARG N N 91 121.616 121.616 120.277 1.339 17824 2473 1 6 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.380 0.025 17824 2474 1 6 . 1 1 91 91 ARG C C 91 174.754 174.754 175.087 -0.333 17824 2475 1 6 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.959 0.874 17824 2476 1 6 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.328 1.557 17824 2477 1 6 . 1 1 91 91 ARG H H 91 7.426 7.426 7.776 -0.350 17824 2478 1 6 . 1 1 92 92 GLN N N 92 118.161 118.161 120.223 -2.062 17824 2479 1 6 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.337 0.371 17824 2480 1 6 . 1 1 92 92 GLN C C 92 176.437 176.437 174.757 1.680 17824 2481 1 6 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.049 -1.266 17824 2482 1 6 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.918 -0.959 17824 2483 1 6 . 1 1 92 92 GLN H H 92 8.526 8.526 8.635 -0.109 17824 2484 1 6 . 1 1 93 93 VAL N N 93 109.557 109.557 111.736 -2.179 17824 2485 1 6 . 1 1 93 93 VAL HA H 93 5.065 5.065 5.080 -0.015 17824 2486 1 6 . 1 1 93 93 VAL C C 93 174.806 174.806 175.170 -0.364 17824 2487 1 6 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.179 -0.831 17824 2488 1 6 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.862 0.446 17824 2489 1 6 . 1 1 93 93 VAL H H 93 7.083 7.083 7.193 -0.110 17824 2490 1 6 . 1 1 94 94 CYS N N 94 123.889 123.889 122.089 1.800 17824 2491 1 6 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.591 -0.087 17824 2492 1 6 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.047 -4.187 17824 2493 1 6 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.648 4.117 17824 2494 1 6 . 1 1 94 94 CYS H H 94 9.020 9.020 9.252 -0.232 17824 2495 1 6 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.217 -0.137 17824 2496 1 6 . 1 1 95 95 PRO C C 95 177.037 177.037 177.004 0.033 17824 2497 1 6 . 1 1 95 95 PRO CA C 95 63.998 63.998 65.189 -1.191 17824 2498 1 6 . 1 1 95 95 PRO CB C 95 31.662 31.662 31.024 0.638 17824 2499 1 6 . 1 1 96 96 LEU N N 96 118.497 118.497 115.547 2.950 17824 2500 1 6 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.938 -0.622 17824 2501 1 6 . 1 1 96 96 LEU C C 96 177.797 177.797 178.351 -0.554 17824 2502 1 6 . 1 1 96 96 LEU CA C 96 55.812 55.812 55.926 -0.114 17824 2503 1 6 . 1 1 96 96 LEU CB C 96 43.074 43.074 42.814 0.260 17824 2504 1 6 . 1 1 96 96 LEU H H 96 8.798 8.798 7.612 1.186 17824 2505 1 6 . 1 1 97 97 ASP N N 97 114.958 114.958 117.382 -2.424 17824 2506 1 6 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.784 0.168 17824 2507 1 6 . 1 1 97 97 ASP C C 97 175.946 175.946 176.454 -0.508 17824 2508 1 6 . 1 1 97 97 ASP CA C 97 54.712 54.712 54.390 0.322 17824 2509 1 6 . 1 1 97 97 ASP CB C 97 43.183 43.183 42.123 1.060 17824 2510 1 6 . 1 1 97 97 ASP H H 97 7.396 7.396 8.072 -0.676 17824 2511 1 6 . 1 1 98 98 ASN N N 98 115.407 115.407 115.018 0.389 17824 2512 1 6 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.523 -0.099 17824 2513 1 6 . 1 1 98 98 ASN C C 98 173.934 173.934 174.011 -0.077 17824 2514 1 6 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.731 0.571 17824 2515 1 6 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.318 1.678 17824 2516 1 6 . 1 1 98 98 ASN H H 98 8.332 8.332 8.409 -0.077 17824 2517 1 6 . 1 1 99 99 ARG N N 99 119.005 119.005 118.089 0.916 17824 2518 1 6 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.643 -0.171 17824 2519 1 6 . 1 1 99 99 ARG C C 99 176.631 176.631 175.653 0.978 17824 2520 1 6 . 1 1 99 99 ARG CA C 99 55.821 55.821 53.534 2.287 17824 2521 1 6 . 1 1 99 99 ARG CB C 99 30.970 30.970 31.899 -0.929 17824 2522 1 6 . 1 1 99 99 ARG H H 99 8.825 8.825 8.004 0.821 17824 2523 1 6 . 1 1 100 100 GLU N N 100 122.676 122.676 122.627 0.049 17824 2524 1 6 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.314 -0.164 17824 2525 1 6 . 1 1 100 100 GLU C C 100 176.647 176.647 176.300 0.347 17824 2526 1 6 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.425 0.923 17824 2527 1 6 . 1 1 100 100 GLU CB C 100 29.734 29.734 29.840 -0.106 17824 2528 1 6 . 1 1 100 100 GLU H H 100 8.869 8.869 8.737 0.132 17824 2529 1 6 . 1 1 101 101 TRP N N 101 126.288 126.288 130.314 -4.026 17824 2530 1 6 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.638 -0.035 17824 2531 1 6 . 1 1 101 101 TRP C C 101 175.786 175.786 175.196 0.590 17824 2532 1 6 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.668 0.267 17824 2533 1 6 . 1 1 101 101 TRP CB C 101 29.758 29.758 29.949 -0.191 17824 2534 1 6 . 1 1 101 101 TRP H H 101 8.437 8.437 8.122 0.315 17824 2535 1 6 . 1 1 102 102 GLU N N 102 127.912 127.912 125.444 2.468 17824 2536 1 6 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.379 -0.107 17824 2537 1 6 . 1 1 102 102 GLU C C 102 174.791 174.791 174.683 0.108 17824 2538 1 6 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.084 0.640 17824 2539 1 6 . 1 1 102 102 GLU CB C 102 33.255 33.255 32.989 0.266 17824 2540 1 6 . 1 1 102 102 GLU H H 102 7.319 7.319 7.789 -0.470 17824 2541 1 6 . 1 1 103 103 PHE N N 103 122.445 122.445 123.551 -1.106 17824 2542 1 6 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.582 -0.214 17824 2543 1 6 . 1 1 103 103 PHE C C 103 176.419 176.419 176.134 0.285 17824 2544 1 6 . 1 1 103 103 PHE CA C 103 60.070 60.070 59.754 0.316 17824 2545 1 6 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.607 0.267 17824 2546 1 6 . 1 1 103 103 PHE H H 103 8.827 8.827 8.797 0.030 17824 2547 1 6 . 1 1 104 104 GLN N N 104 122.896 122.896 126.345 -3.449 17824 2548 1 6 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.344 -0.058 17824 2549 1 6 . 1 1 104 104 GLN C C 104 175.487 175.487 175.339 0.148 17824 2550 1 6 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.367 -1.097 17824 2551 1 6 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.741 -0.195 17824 2552 1 6 . 1 1 104 104 GLN H H 104 9.119 9.119 9.229 -0.110 17824 2553 1 6 . 1 1 105 105 LYS N N 105 121.917 121.917 117.244 4.673 17824 2554 1 6 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.525 -0.089 17824 2555 1 6 . 1 1 105 105 LYS C C 105 175.219 175.219 174.147 1.072 17824 2556 1 6 . 1 1 105 105 LYS CA C 105 56.282 56.282 56.015 0.267 17824 2557 1 6 . 1 1 105 105 LYS CB C 105 33.804 33.804 35.390 -1.586 17824 2558 1 6 . 1 1 105 105 LYS H H 105 8.308 8.308 7.909 0.399 17824 2559 1 6 . 1 1 106 106 TYR N N 106 121.451 121.451 121.580 -0.129 17824 2560 1 6 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.891 -0.077 17824 2561 1 6 . 1 1 106 106 TYR C C 106 176.017 176.017 174.639 1.378 17824 2562 1 6 . 1 1 106 106 TYR CA C 106 57.828 57.828 56.592 1.236 17824 2563 1 6 . 1 1 106 106 TYR CB C 106 39.606 39.606 41.136 -1.530 17824 2564 1 6 . 1 1 106 106 TYR H H 106 8.431 8.431 7.873 0.558 17824 2565 1 6 . 1 1 107 107 GLY N N 107 110.965 110.965 111.100 -0.135 17824 2566 1 6 . 1 1 107 107 GLY C C 107 172.723 172.723 173.733 -1.010 17824 2567 1 6 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.507 0.775 17824 2568 1 6 . 1 1 107 107 GLY H H 107 8.395 8.395 8.577 -0.182 17824 2569 1 7 . 1 1 35 35 TRP N N 35 118.681 118.681 121.375 -2.694 17824 2570 1 7 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.717 -0.074 17824 2571 1 7 . 1 1 35 35 TRP C C 35 175.833 175.833 174.915 0.918 17824 2572 1 7 . 1 1 35 35 TRP CA C 35 56.900 56.900 56.400 0.500 17824 2573 1 7 . 1 1 35 35 TRP CB C 35 29.375 29.375 31.655 -2.280 17824 2574 1 7 . 1 1 35 35 TRP H H 35 7.831 7.831 8.060 -0.229 17824 2575 1 7 . 1 1 36 36 ASP N N 36 121.178 121.178 122.407 -1.229 17824 2576 1 7 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.851 -0.277 17824 2577 1 7 . 1 1 36 36 ASP C C 36 175.821 175.821 176.338 -0.517 17824 2578 1 7 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.245 1.377 17824 2579 1 7 . 1 1 36 36 ASP CB C 36 41.150 41.150 44.458 -3.308 17824 2580 1 7 . 1 1 36 36 ASP H H 36 8.111 8.111 8.436 -0.325 17824 2581 1 7 . 1 1 37 37 ILE N N 37 120.177 120.177 118.668 1.509 17824 2582 1 7 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.409 -0.253 17824 2583 1 7 . 1 1 37 37 ILE C C 37 175.817 175.817 175.169 0.648 17824 2584 1 7 . 1 1 37 37 ILE CA C 37 61.638 61.638 61.439 0.199 17824 2585 1 7 . 1 1 37 37 ILE CB C 37 39.034 39.034 38.104 0.930 17824 2586 1 7 . 1 1 37 37 ILE H H 37 7.820 7.820 8.187 -0.367 17824 2587 1 7 . 1 1 38 38 VAL N N 38 124.844 124.844 121.460 3.384 17824 2588 1 7 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.328 -0.168 17824 2589 1 7 . 1 1 38 38 VAL C C 38 176.102 176.102 176.717 -0.615 17824 2590 1 7 . 1 1 38 38 VAL CA C 38 62.055 62.055 60.803 1.252 17824 2591 1 7 . 1 1 38 38 VAL CB C 38 32.764 32.764 34.551 -1.787 17824 2592 1 7 . 1 1 38 38 VAL H H 38 8.203 8.203 7.691 0.512 17824 2593 1 7 . 1 1 39 39 VAL N N 39 123.813 123.813 121.567 2.246 17824 2594 1 7 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.761 0.377 17824 2595 1 7 . 1 1 39 39 VAL C C 39 174.919 174.919 175.504 -0.585 17824 2596 1 7 . 1 1 39 39 VAL CA C 39 62.605 62.605 63.402 -0.797 17824 2597 1 7 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.350 1.475 17824 2598 1 7 . 1 1 39 39 VAL H H 39 8.163 8.163 8.815 -0.652 17824 2599 1 7 . 1 1 40 40 ASP N N 40 122.074 122.074 114.571 7.503 17824 2600 1 7 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.422 0.046 17824 2601 1 7 . 1 1 40 40 ASP C C 40 174.408 174.408 174.811 -0.403 17824 2602 1 7 . 1 1 40 40 ASP CA C 40 54.389 54.389 53.540 0.849 17824 2603 1 7 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.638 0.517 17824 2604 1 7 . 1 1 40 40 ASP H H 40 8.154 8.154 8.221 -0.067 17824 2605 1 7 . 1 1 41 41 ASN N N 41 115.983 115.983 118.304 -2.321 17824 2606 1 7 . 1 1 41 41 ASN HA H 41 4.762 4.762 5.051 -0.289 17824 2607 1 7 . 1 1 41 41 ASN C C 41 174.643 174.643 173.931 0.712 17824 2608 1 7 . 1 1 41 41 ASN CA C 41 52.326 52.326 51.815 0.512 17824 2609 1 7 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.197 -0.813 17824 2610 1 7 . 1 1 41 41 ASN H H 41 7.901 7.901 7.775 0.126 17824 2611 1 7 . 1 1 42 42 CYS N N 42 123.612 123.612 123.885 -0.273 17824 2612 1 7 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.568 -0.282 17824 2613 1 7 . 1 1 42 42 CYS C C 42 176.756 176.756 175.700 1.056 17824 2614 1 7 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.617 0.183 17824 2615 1 7 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.188 4.585 17824 2616 1 7 . 1 1 42 42 CYS H H 42 8.503 8.503 8.958 -0.455 17824 2617 1 7 . 1 1 43 43 ALA N N 43 132.181 132.181 132.213 -0.032 17824 2618 1 7 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.147 0.018 17824 2619 1 7 . 1 1 43 43 ALA C C 43 177.706 177.706 178.231 -0.525 17824 2620 1 7 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.707 -1.064 17824 2621 1 7 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.519 0.892 17824 2622 1 7 . 1 1 43 43 ALA H H 43 9.493 9.493 8.948 0.545 17824 2623 1 7 . 1 1 44 44 ILE N N 44 116.079 116.079 116.502 -0.423 17824 2624 1 7 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.544 0.252 17824 2625 1 7 . 1 1 44 44 ILE C C 44 176.208 176.208 177.387 -1.179 17824 2626 1 7 . 1 1 44 44 ILE CA C 44 64.532 64.532 64.325 0.207 17824 2627 1 7 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.957 1.135 17824 2628 1 7 . 1 1 44 44 ILE H H 44 7.956 7.956 7.987 -0.031 17824 2629 1 7 . 1 1 45 45 CYS N N 45 116.456 116.456 113.151 3.305 17824 2630 1 7 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.621 0.403 17824 2631 1 7 . 1 1 45 45 CYS C C 45 175.747 175.747 175.315 0.432 17824 2632 1 7 . 1 1 45 45 CYS CA C 45 59.181 59.181 58.220 0.961 17824 2633 1 7 . 1 1 45 45 CYS CB C 45 32.878 32.878 28.928 3.950 17824 2634 1 7 . 1 1 45 45 CYS H H 45 7.818 7.818 7.701 0.117 17824 2635 1 7 . 1 1 46 46 ARG N N 46 117.125 117.125 122.161 -5.036 17824 2636 1 7 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.047 -0.042 17824 2637 1 7 . 1 1 46 46 ARG C C 46 175.539 175.539 174.004 1.535 17824 2638 1 7 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.821 2.963 17824 2639 1 7 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.456 -0.862 17824 2640 1 7 . 1 1 46 46 ARG H H 46 8.511 8.511 8.394 0.117 17824 2641 1 7 . 1 1 47 47 ASN N N 47 121.377 121.377 116.094 5.283 17824 2642 1 7 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.997 0.015 17824 2643 1 7 . 1 1 47 47 ASN C C 47 175.537 175.537 173.461 2.076 17824 2644 1 7 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.846 -2.824 17824 2645 1 7 . 1 1 47 47 ASN CB C 47 39.015 39.015 42.035 -3.020 17824 2646 1 7 . 1 1 47 47 ASN H H 47 8.720 8.720 7.859 0.861 17824 2647 1 7 . 1 1 48 48 HIS N N 48 122.235 122.235 120.697 1.538 17824 2648 1 7 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.749 -0.250 17824 2649 1 7 . 1 1 48 48 HIS C C 48 177.722 177.722 175.192 2.530 17824 2650 1 7 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.345 1.527 17824 2651 1 7 . 1 1 48 48 HIS CB C 48 30.720 30.720 30.983 -0.264 17824 2652 1 7 . 1 1 48 48 HIS H H 48 9.226 9.226 8.711 0.515 17824 2653 1 7 . 1 1 49 49 ILE N N 49 126.643 126.643 125.655 0.988 17824 2654 1 7 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.598 -0.198 17824 2655 1 7 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.281 -0.793 17824 2656 1 7 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.570 0.401 17824 2657 1 7 . 1 1 49 49 ILE H H 49 7.991 7.991 8.127 -0.136 17824 2658 1 7 . 1 1 50 50 MET HA H 50 4.268 4.268 4.194 0.074 17824 2659 1 7 . 1 1 50 50 MET C C 50 177.236 177.236 174.555 2.681 17824 2660 1 7 . 1 1 50 50 MET CA C 50 54.795 54.795 56.625 -1.830 17824 2661 1 7 . 1 1 50 50 MET CB C 50 31.357 31.357 31.322 0.035 17824 2662 1 7 . 1 1 51 51 ASP N N 51 121.143 121.143 117.243 3.900 17824 2663 1 7 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.466 -0.453 17824 2664 1 7 . 1 1 51 51 ASP C C 51 176.770 176.770 175.229 1.541 17824 2665 1 7 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.053 -1.950 17824 2666 1 7 . 1 1 51 51 ASP CB C 51 43.285 43.285 44.018 -0.733 17824 2667 1 7 . 1 1 51 51 ASP H H 51 7.854 7.854 7.818 0.036 17824 2668 1 7 . 1 1 52 52 LEU N N 52 119.501 119.501 120.907 -1.406 17824 2669 1 7 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.267 0.079 17824 2670 1 7 . 1 1 52 52 LEU C C 52 177.049 177.049 176.699 0.350 17824 2671 1 7 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.623 -0.192 17824 2672 1 7 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.605 0.750 17824 2673 1 7 . 1 1 52 52 LEU H H 52 8.484 8.484 8.573 -0.089 17824 2674 1 7 . 1 1 53 53 CYS N N 53 120.790 120.790 118.481 2.309 17824 2675 1 7 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.452 -0.606 17824 2676 1 7 . 1 1 53 53 CYS C C 53 175.247 175.247 176.509 -1.262 17824 2677 1 7 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.086 -0.254 17824 2678 1 7 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.479 3.165 17824 2679 1 7 . 1 1 53 53 CYS H H 53 8.151 8.151 8.089 0.062 17824 2680 1 7 . 1 1 54 54 ILE N N 54 116.790 116.790 119.248 -2.458 17824 2681 1 7 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.853 0.082 17824 2682 1 7 . 1 1 54 54 ILE C C 54 176.615 176.615 177.633 -1.018 17824 2683 1 7 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.005 -1.099 17824 2684 1 7 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.781 1.253 17824 2685 1 7 . 1 1 54 54 ILE H H 54 6.626 6.626 8.622 -1.996 17824 2686 1 7 . 1 1 55 55 GLU N N 55 123.451 123.451 120.176 3.275 17824 2687 1 7 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.182 -0.028 17824 2688 1 7 . 1 1 55 55 GLU C C 55 179.075 179.075 178.772 0.303 17824 2689 1 7 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.997 0.784 17824 2690 1 7 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.240 1.224 17824 2691 1 7 . 1 1 55 55 GLU H H 55 7.642 7.642 8.489 -0.847 17824 2692 1 7 . 1 1 56 56 CYS N N 56 124.445 124.445 117.694 6.751 17824 2693 1 7 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.112 -0.124 17824 2694 1 7 . 1 1 56 56 CYS C C 56 178.290 178.290 177.120 1.170 17824 2695 1 7 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.718 2.260 17824 2696 1 7 . 1 1 56 56 CYS CB C 56 29.652 29.652 25.707 3.945 17824 2697 1 7 . 1 1 56 56 CYS H H 56 8.676 8.676 8.430 0.246 17824 2698 1 7 . 1 1 57 57 GLN N N 57 117.736 117.736 120.013 -2.277 17824 2699 1 7 . 1 1 57 57 GLN HA H 57 3.892 3.892 3.977 -0.085 17824 2700 1 7 . 1 1 57 57 GLN C C 57 177.428 177.428 177.223 0.205 17824 2701 1 7 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.534 0.338 17824 2702 1 7 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.932 0.896 17824 2703 1 7 . 1 1 57 57 GLN H H 57 8.419 8.419 8.036 0.383 17824 2704 1 7 . 1 1 58 58 ALA N N 58 119.578 119.578 121.911 -2.333 17824 2705 1 7 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.213 0.064 17824 2706 1 7 . 1 1 58 58 ALA C C 58 178.087 178.087 179.038 -0.951 17824 2707 1 7 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.687 -0.165 17824 2708 1 7 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.727 0.290 17824 2709 1 7 . 1 1 58 58 ALA H H 58 7.335 7.335 7.697 -0.362 17824 2710 1 7 . 1 1 59 59 ASN N N 59 116.209 116.209 117.016 -0.807 17824 2711 1 7 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.516 0.302 17824 2712 1 7 . 1 1 59 59 ASN C C 59 175.372 175.372 175.902 -0.530 17824 2713 1 7 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.190 -1.532 17824 2714 1 7 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.266 -0.157 17824 2715 1 7 . 1 1 59 59 ASN H H 59 7.617 7.617 8.187 -0.570 17824 2716 1 7 . 1 1 60 60 GLN N N 60 120.078 120.078 118.296 1.782 17824 2717 1 7 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.977 0.235 17824 2718 1 7 . 1 1 60 60 GLN C C 60 176.218 176.218 174.055 2.163 17824 2719 1 7 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.117 1.193 17824 2720 1 7 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.779 1.871 17824 2721 1 7 . 1 1 60 60 GLN H H 60 8.116 8.116 7.970 0.146 17824 2722 1 7 . 1 1 61 61 ALA N N 61 122.298 122.298 124.215 -1.917 17824 2723 1 7 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.515 -0.197 17824 2724 1 7 . 1 1 61 61 ALA C C 61 177.964 177.964 177.843 0.121 17824 2725 1 7 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.325 1.115 17824 2726 1 7 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.854 -1.202 17824 2727 1 7 . 1 1 61 61 ALA H H 61 8.345 8.345 7.409 0.936 17824 2728 1 7 . 1 1 62 62 SER N N 62 113.232 113.232 120.092 -6.860 17824 2729 1 7 . 1 1 62 62 SER HA H 62 4.454 4.454 4.391 0.063 17824 2730 1 7 . 1 1 62 62 SER C C 62 174.747 174.747 173.783 0.964 17824 2731 1 7 . 1 1 62 62 SER CA C 62 58.197 58.197 59.410 -1.213 17824 2732 1 7 . 1 1 62 62 SER CB C 62 63.906 63.906 61.741 2.165 17824 2733 1 7 . 1 1 62 62 SER H H 62 8.011 8.011 8.795 -0.784 17824 2734 1 7 . 1 1 63 63 ALA N N 63 125.573 125.573 127.518 -1.945 17824 2735 1 7 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.531 -0.348 17824 2736 1 7 . 1 1 63 63 ALA C C 63 178.091 178.091 175.721 2.370 17824 2737 1 7 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.300 0.706 17824 2738 1 7 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.874 -1.118 17824 2739 1 7 . 1 1 63 63 ALA H H 63 8.323 8.323 7.686 0.637 17824 2740 1 7 . 1 1 64 64 THR N N 64 111.006 111.006 114.435 -3.429 17824 2741 1 7 . 1 1 64 64 THR HA H 64 4.495 4.495 4.845 -0.350 17824 2742 1 7 . 1 1 64 64 THR C C 64 175.346 175.346 173.572 1.774 17824 2743 1 7 . 1 1 64 64 THR CA C 64 61.903 61.903 61.180 0.723 17824 2744 1 7 . 1 1 64 64 THR CB C 64 69.903 69.903 72.088 -2.185 17824 2745 1 7 . 1 1 64 64 THR H H 64 8.071 8.071 8.207 -0.136 17824 2746 1 7 . 1 1 65 65 SER N N 65 118.037 118.037 119.219 -1.182 17824 2747 1 7 . 1 1 65 65 SER HA H 65 4.524 4.524 4.492 0.032 17824 2748 1 7 . 1 1 65 65 SER C C 65 175.131 175.131 175.742 -0.611 17824 2749 1 7 . 1 1 65 65 SER CA C 65 59.795 59.795 59.727 0.068 17824 2750 1 7 . 1 1 65 65 SER CB C 65 63.833 63.833 63.553 0.280 17824 2751 1 7 . 1 1 65 65 SER H H 65 8.328 8.328 8.710 -0.382 17824 2752 1 7 . 1 1 66 66 GLU N N 66 121.505 121.505 119.971 1.534 17824 2753 1 7 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.125 0.189 17824 2754 1 7 . 1 1 66 66 GLU C C 66 176.394 176.394 176.082 0.312 17824 2755 1 7 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.883 -1.888 17824 2756 1 7 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.056 0.254 17824 2757 1 7 . 1 1 66 66 GLU H H 66 8.368 8.368 8.416 -0.048 17824 2758 1 7 . 1 1 67 67 GLU N N 67 119.409 119.409 113.513 5.896 17824 2759 1 7 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.536 -0.245 17824 2760 1 7 . 1 1 67 67 GLU C C 67 175.079 175.079 174.862 0.217 17824 2761 1 7 . 1 1 67 67 GLU CA C 67 56.480 56.480 55.053 1.427 17824 2762 1 7 . 1 1 67 67 GLU CB C 67 29.931 29.931 30.444 -0.513 17824 2763 1 7 . 1 1 67 67 GLU H H 67 8.074 8.074 7.927 0.147 17824 2764 1 7 . 1 1 68 68 CYS N N 68 126.937 126.937 123.489 3.448 17824 2765 1 7 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.496 -0.208 17824 2766 1 7 . 1 1 68 68 CYS C C 68 174.423 174.423 174.095 0.328 17824 2767 1 7 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.577 -0.768 17824 2768 1 7 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.175 0.495 17824 2769 1 7 . 1 1 68 68 CYS H H 68 8.340 8.340 8.505 -0.165 17824 2770 1 7 . 1 1 69 69 THR N N 69 116.442 116.442 109.568 6.874 17824 2771 1 7 . 1 1 69 69 THR HA H 69 4.891 4.891 4.554 0.337 17824 2772 1 7 . 1 1 69 69 THR C C 69 175.561 175.561 173.015 2.546 17824 2773 1 7 . 1 1 69 69 THR CA C 69 60.817 60.817 61.367 -0.550 17824 2774 1 7 . 1 1 69 69 THR CB C 69 71.654 71.654 71.401 0.253 17824 2775 1 7 . 1 1 69 69 THR H H 69 7.497 7.497 7.819 -0.322 17824 2776 1 7 . 1 1 70 70 VAL N N 70 123.637 123.637 123.762 -0.125 17824 2777 1 7 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.691 -0.356 17824 2778 1 7 . 1 1 70 70 VAL C C 70 174.368 174.368 172.933 1.435 17824 2779 1 7 . 1 1 70 70 VAL CA C 70 62.942 62.942 59.889 3.053 17824 2780 1 7 . 1 1 70 70 VAL CB C 70 33.897 33.897 35.375 -1.478 17824 2781 1 7 . 1 1 70 70 VAL H H 70 8.862 8.862 8.703 0.159 17824 2782 1 7 . 1 1 71 71 ALA N N 71 128.540 128.540 128.132 0.408 17824 2783 1 7 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.755 0.531 17824 2784 1 7 . 1 1 71 71 ALA C C 71 174.520 174.520 175.235 -0.715 17824 2785 1 7 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.892 -0.120 17824 2786 1 7 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.939 1.036 17824 2787 1 7 . 1 1 71 71 ALA H H 71 9.247 9.247 8.768 0.479 17824 2788 1 7 . 1 1 72 72 TRP N N 72 120.167 120.167 121.884 -1.717 17824 2789 1 7 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.353 0.067 17824 2790 1 7 . 1 1 72 72 TRP C C 72 177.182 177.182 176.780 0.402 17824 2791 1 7 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.363 1.400 17824 2792 1 7 . 1 1 72 72 TRP CB C 72 32.630 32.630 32.279 0.351 17824 2793 1 7 . 1 1 72 72 TRP H H 72 9.065 9.065 8.018 1.047 17824 2794 1 7 . 1 1 73 73 GLY N N 73 110.755 110.755 108.340 2.415 17824 2795 1 7 . 1 1 73 73 GLY C C 73 177.914 177.914 174.725 3.189 17824 2796 1 7 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.419 0.748 17824 2797 1 7 . 1 1 73 73 GLY H H 73 9.128 9.128 9.593 -0.465 17824 2798 1 7 . 1 1 74 74 VAL N N 74 122.747 122.747 124.866 -2.119 17824 2799 1 7 . 1 1 74 74 VAL HA H 74 3.836 3.836 4.055 -0.219 17824 2800 1 7 . 1 1 74 74 VAL C C 74 176.014 176.014 177.188 -1.174 17824 2801 1 7 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.240 -0.247 17824 2802 1 7 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.784 -0.064 17824 2803 1 7 . 1 1 74 74 VAL H H 74 8.299 8.299 8.405 -0.106 17824 2804 1 7 . 1 1 75 75 CYS N N 75 116.720 116.720 115.284 1.436 17824 2805 1 7 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.462 -0.167 17824 2806 1 7 . 1 1 75 75 CYS C C 75 174.359 174.359 174.883 -0.524 17824 2807 1 7 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.160 1.057 17824 2808 1 7 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.614 4.087 17824 2809 1 7 . 1 1 75 75 CYS H H 75 7.567 7.567 8.019 -0.452 17824 2810 1 7 . 1 1 76 76 ASN N N 76 114.522 114.522 119.384 -4.862 17824 2811 1 7 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.211 0.223 17824 2812 1 7 . 1 1 76 76 ASN C C 76 173.726 173.726 173.272 0.454 17824 2813 1 7 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.380 1.272 17824 2814 1 7 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.968 -0.020 17824 2815 1 7 . 1 1 76 76 ASN H H 76 8.060 8.060 7.886 0.174 17824 2816 1 7 . 1 1 77 77 HIS N N 77 117.754 117.754 117.565 0.189 17824 2817 1 7 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.818 -0.101 17824 2818 1 7 . 1 1 77 77 HIS C C 77 172.650 172.650 173.135 -0.485 17824 2819 1 7 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.720 3.106 17824 2820 1 7 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.158 -1.269 17824 2821 1 7 . 1 1 77 77 HIS H H 77 7.797 7.797 7.529 0.268 17824 2822 1 7 . 1 1 78 78 ALA N N 78 122.889 122.889 123.975 -1.086 17824 2823 1 7 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.162 -0.213 17824 2824 1 7 . 1 1 78 78 ALA C C 78 174.873 174.873 174.690 0.183 17824 2825 1 7 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.107 -1.578 17824 2826 1 7 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.544 -1.466 17824 2827 1 7 . 1 1 78 78 ALA H H 78 7.811 7.811 8.256 -0.445 17824 2828 1 7 . 1 1 79 79 PHE N N 79 113.618 113.618 119.261 -5.643 17824 2829 1 7 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.746 -0.047 17824 2830 1 7 . 1 1 79 79 PHE C C 79 176.138 176.138 174.787 1.351 17824 2831 1 7 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.862 -1.513 17824 2832 1 7 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.397 2.189 17824 2833 1 7 . 1 1 79 79 PHE H H 79 8.377 8.377 8.591 -0.214 17824 2834 1 7 . 1 1 80 80 HIS N N 80 118.823 118.823 120.127 -1.304 17824 2835 1 7 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.863 -0.034 17824 2836 1 7 . 1 1 80 80 HIS C C 80 177.268 177.268 176.478 0.790 17824 2837 1 7 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.179 4.770 17824 2838 1 7 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.800 -1.065 17824 2839 1 7 . 1 1 80 80 HIS H H 80 8.429 8.429 8.418 0.011 17824 2840 1 7 . 1 1 81 81 PHE N N 81 129.040 129.040 126.542 2.498 17824 2841 1 7 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.379 -0.040 17824 2842 1 7 . 1 1 81 81 PHE C C 81 178.911 178.911 176.684 2.227 17824 2843 1 7 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.090 -0.252 17824 2844 1 7 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.601 -0.545 17824 2845 1 7 . 1 1 81 81 PHE H H 81 9.881 9.881 8.722 1.159 17824 2846 1 7 . 1 1 82 82 HIS N N 82 120.611 120.611 119.346 1.265 17824 2847 1 7 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.041 0.245 17824 2848 1 7 . 1 1 82 82 HIS C C 82 177.694 177.694 177.110 0.584 17824 2849 1 7 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.590 -0.686 17824 2850 1 7 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.631 3.202 17824 2851 1 7 . 1 1 82 82 HIS H H 82 10.457 10.457 8.069 2.388 17824 2852 1 7 . 1 1 83 83 CYS N N 83 117.628 117.628 117.000 0.628 17824 2853 1 7 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.350 -0.196 17824 2854 1 7 . 1 1 83 83 CYS C C 83 177.768 177.768 177.193 0.575 17824 2855 1 7 . 1 1 83 83 CYS CA C 83 62.968 62.968 61.378 1.590 17824 2856 1 7 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.018 2.886 17824 2857 1 7 . 1 1 83 83 CYS H H 83 6.933 6.933 8.360 -1.427 17824 2858 1 7 . 1 1 84 84 ILE N N 84 119.139 119.139 120.751 -1.612 17824 2859 1 7 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.487 0.355 17824 2860 1 7 . 1 1 84 84 ILE C C 84 175.705 175.705 177.274 -1.569 17824 2861 1 7 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.323 -3.446 17824 2862 1 7 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.584 0.493 17824 2863 1 7 . 1 1 84 84 ILE H H 84 8.290 8.290 8.846 -0.556 17824 2864 1 7 . 1 1 85 85 SER N N 85 118.224 118.224 116.252 1.972 17824 2865 1 7 . 1 1 85 85 SER HA H 85 3.995 3.995 4.024 -0.029 17824 2866 1 7 . 1 1 85 85 SER C C 85 176.097 176.097 176.747 -0.650 17824 2867 1 7 . 1 1 85 85 SER CA C 85 62.841 62.841 61.764 1.077 17824 2868 1 7 . 1 1 85 85 SER CB C 85 62.009 62.009 62.500 -0.491 17824 2869 1 7 . 1 1 85 85 SER H H 85 8.157 8.157 8.242 -0.085 17824 2870 1 7 . 1 1 86 86 ARG N N 86 120.496 120.496 120.987 -0.491 17824 2871 1 7 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.078 -0.054 17824 2872 1 7 . 1 1 86 86 ARG C C 86 179.382 179.382 178.522 0.860 17824 2873 1 7 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.473 1.392 17824 2874 1 7 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.677 0.183 17824 2875 1 7 . 1 1 86 86 ARG H H 86 7.174 7.174 7.600 -0.426 17824 2876 1 7 . 1 1 87 87 TRP N N 87 123.951 123.951 122.619 1.332 17824 2877 1 7 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.253 -0.094 17824 2878 1 7 . 1 1 87 87 TRP C C 87 177.572 177.572 178.151 -0.579 17824 2879 1 7 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.421 0.503 17824 2880 1 7 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.266 -0.020 17824 2881 1 7 . 1 1 87 87 TRP H H 87 7.981 7.981 8.429 -0.448 17824 2882 1 7 . 1 1 88 88 LEU N N 88 116.707 116.707 117.852 -1.145 17824 2883 1 7 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.153 0.610 17824 2884 1 7 . 1 1 88 88 LEU C C 88 178.008 178.008 179.031 -1.023 17824 2885 1 7 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.721 -0.993 17824 2886 1 7 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.769 0.427 17824 2887 1 7 . 1 1 88 88 LEU H H 88 8.246 8.246 8.296 -0.050 17824 2888 1 7 . 1 1 89 89 LYS N N 89 117.240 117.240 118.330 -1.090 17824 2889 1 7 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.012 0.069 17824 2890 1 7 . 1 1 89 89 LYS C C 89 178.385 178.385 177.786 0.599 17824 2891 1 7 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.626 0.285 17824 2892 1 7 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.700 -0.396 17824 2893 1 7 . 1 1 89 89 LYS H H 89 7.309 7.309 7.843 -0.534 17824 2894 1 7 . 1 1 90 90 THR N N 90 106.446 106.446 107.802 -1.356 17824 2895 1 7 . 1 1 90 90 THR HA H 90 4.383 4.383 4.256 0.127 17824 2896 1 7 . 1 1 90 90 THR C C 90 173.919 173.919 174.891 -0.972 17824 2897 1 7 . 1 1 90 90 THR CA C 90 62.069 62.069 62.422 -0.353 17824 2898 1 7 . 1 1 90 90 THR CB C 90 70.133 70.133 70.033 0.100 17824 2899 1 7 . 1 1 90 90 THR H H 90 7.452 7.452 7.405 0.047 17824 2900 1 7 . 1 1 91 91 ARG N N 91 121.616 121.616 120.629 0.987 17824 2901 1 7 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.423 -0.018 17824 2902 1 7 . 1 1 91 91 ARG C C 91 174.754 174.754 175.394 -0.640 17824 2903 1 7 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.711 1.122 17824 2904 1 7 . 1 1 91 91 ARG CB C 91 33.885 33.885 31.853 2.032 17824 2905 1 7 . 1 1 91 91 ARG H H 91 7.426 7.426 7.860 -0.434 17824 2906 1 7 . 1 1 92 92 GLN N N 92 118.161 118.161 120.600 -2.439 17824 2907 1 7 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.288 0.420 17824 2908 1 7 . 1 1 92 92 GLN C C 92 176.437 176.437 174.963 1.474 17824 2909 1 7 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.650 -1.867 17824 2910 1 7 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.768 -0.810 17824 2911 1 7 . 1 1 92 92 GLN H H 92 8.526 8.526 8.665 -0.139 17824 2912 1 7 . 1 1 93 93 VAL N N 93 109.557 109.557 111.176 -1.619 17824 2913 1 7 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.951 0.114 17824 2914 1 7 . 1 1 93 93 VAL C C 93 174.806 174.806 175.255 -0.449 17824 2915 1 7 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.135 -0.787 17824 2916 1 7 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.716 0.592 17824 2917 1 7 . 1 1 93 93 VAL H H 93 7.083 7.083 7.174 -0.091 17824 2918 1 7 . 1 1 94 94 CYS N N 94 123.889 123.889 121.534 2.355 17824 2919 1 7 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.725 -0.221 17824 2920 1 7 . 1 1 94 94 CYS CA C 94 56.860 56.860 60.999 -4.139 17824 2921 1 7 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.846 3.919 17824 2922 1 7 . 1 1 94 94 CYS H H 94 9.020 9.020 9.264 -0.244 17824 2923 1 7 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.469 -0.389 17824 2924 1 7 . 1 1 95 95 PRO C C 95 177.037 177.037 176.527 0.510 17824 2925 1 7 . 1 1 95 95 PRO CA C 95 63.998 63.998 65.173 -1.175 17824 2926 1 7 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.990 0.672 17824 2927 1 7 . 1 1 96 96 LEU N N 96 118.497 118.497 118.314 0.183 17824 2928 1 7 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.339 -0.023 17824 2929 1 7 . 1 1 96 96 LEU C C 96 177.797 177.797 178.097 -0.300 17824 2930 1 7 . 1 1 96 96 LEU CA C 96 55.812 55.812 57.039 -1.227 17824 2931 1 7 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.626 1.448 17824 2932 1 7 . 1 1 96 96 LEU H H 96 8.798 8.798 7.857 0.941 17824 2933 1 7 . 1 1 97 97 ASP N N 97 114.958 114.958 118.344 -3.386 17824 2934 1 7 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.658 0.294 17824 2935 1 7 . 1 1 97 97 ASP C C 97 175.946 175.946 176.489 -0.543 17824 2936 1 7 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.024 -0.312 17824 2937 1 7 . 1 1 97 97 ASP CB C 97 43.183 43.183 41.018 2.165 17824 2938 1 7 . 1 1 97 97 ASP H H 97 7.396 7.396 8.408 -1.012 17824 2939 1 7 . 1 1 98 98 ASN N N 98 115.407 115.407 116.008 -0.601 17824 2940 1 7 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.609 -0.185 17824 2941 1 7 . 1 1 98 98 ASN C C 98 173.934 173.934 174.010 -0.076 17824 2942 1 7 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.182 1.120 17824 2943 1 7 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.864 1.133 17824 2944 1 7 . 1 1 98 98 ASN H H 98 8.332 8.332 8.046 0.286 17824 2945 1 7 . 1 1 99 99 ARG N N 99 119.005 119.005 118.138 0.867 17824 2946 1 7 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.598 -0.126 17824 2947 1 7 . 1 1 99 99 ARG C C 99 176.631 176.631 174.915 1.716 17824 2948 1 7 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.448 1.373 17824 2949 1 7 . 1 1 99 99 ARG CB C 99 30.970 30.970 33.090 -2.120 17824 2950 1 7 . 1 1 99 99 ARG H H 99 8.825 8.825 8.252 0.573 17824 2951 1 7 . 1 1 100 100 GLU N N 100 122.676 122.676 123.034 -0.358 17824 2952 1 7 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.417 -0.267 17824 2953 1 7 . 1 1 100 100 GLU C C 100 176.647 176.647 176.104 0.543 17824 2954 1 7 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.066 1.282 17824 2955 1 7 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.320 -0.586 17824 2956 1 7 . 1 1 100 100 GLU H H 100 8.869 8.869 8.780 0.089 17824 2957 1 7 . 1 1 101 101 TRP N N 101 126.288 126.288 130.895 -4.607 17824 2958 1 7 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.646 -0.043 17824 2959 1 7 . 1 1 101 101 TRP C C 101 175.786 175.786 175.159 0.627 17824 2960 1 7 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.704 0.231 17824 2961 1 7 . 1 1 101 101 TRP CB C 101 29.758 29.758 29.689 0.069 17824 2962 1 7 . 1 1 101 101 TRP H H 101 8.437 8.437 7.983 0.454 17824 2963 1 7 . 1 1 102 102 GLU N N 102 127.912 127.912 125.337 2.575 17824 2964 1 7 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.308 -0.036 17824 2965 1 7 . 1 1 102 102 GLU C C 102 174.791 174.791 174.747 0.044 17824 2966 1 7 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.038 0.686 17824 2967 1 7 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.124 0.131 17824 2968 1 7 . 1 1 102 102 GLU H H 102 7.319 7.319 7.881 -0.562 17824 2969 1 7 . 1 1 103 103 PHE N N 103 122.445 122.445 122.710 -0.265 17824 2970 1 7 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.707 -0.339 17824 2971 1 7 . 1 1 103 103 PHE C C 103 176.419 176.419 176.047 0.372 17824 2972 1 7 . 1 1 103 103 PHE CA C 103 60.070 60.070 59.268 0.802 17824 2973 1 7 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.528 0.346 17824 2974 1 7 . 1 1 103 103 PHE H H 103 8.827 8.827 8.655 0.172 17824 2975 1 7 . 1 1 104 104 GLN N N 104 122.896 122.896 124.368 -1.472 17824 2976 1 7 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.256 0.030 17824 2977 1 7 . 1 1 104 104 GLN C C 104 175.487 175.487 175.400 0.087 17824 2978 1 7 . 1 1 104 104 GLN CA C 104 56.270 56.270 56.418 -0.148 17824 2979 1 7 . 1 1 104 104 GLN CB C 104 30.546 30.546 29.749 0.797 17824 2980 1 7 . 1 1 104 104 GLN H H 104 9.119 9.119 8.892 0.227 17824 2981 1 7 . 1 1 105 105 LYS N N 105 121.917 121.917 118.127 3.790 17824 2982 1 7 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.346 0.090 17824 2983 1 7 . 1 1 105 105 LYS C C 105 175.219 175.219 176.503 -1.284 17824 2984 1 7 . 1 1 105 105 LYS CA C 105 56.282 56.282 56.985 -0.703 17824 2985 1 7 . 1 1 105 105 LYS CB C 105 33.804 33.804 33.492 0.312 17824 2986 1 7 . 1 1 105 105 LYS H H 105 8.308 8.308 8.665 -0.357 17824 2987 1 7 . 1 1 106 106 TYR N N 106 121.451 121.451 118.371 3.080 17824 2988 1 7 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.160 0.654 17824 2989 1 7 . 1 1 106 106 TYR C C 106 176.017 176.017 174.599 1.418 17824 2990 1 7 . 1 1 106 106 TYR CA C 106 57.828 57.828 58.180 -0.352 17824 2991 1 7 . 1 1 106 106 TYR CB C 106 39.606 39.606 39.752 -0.146 17824 2992 1 7 . 1 1 106 106 TYR H H 106 8.431 8.431 7.879 0.552 17824 2993 1 7 . 1 1 107 107 GLY N N 107 110.965 110.965 109.008 1.957 17824 2994 1 7 . 1 1 107 107 GLY C C 107 172.723 172.723 172.545 0.178 17824 2995 1 7 . 1 1 107 107 GLY CA C 107 45.282 45.282 43.973 1.309 17824 2996 1 7 . 1 1 107 107 GLY H H 107 8.395 8.395 7.243 1.152 17824 2997 1 8 . 1 1 35 35 TRP N N 35 118.681 118.681 122.537 -3.856 17824 2998 1 8 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.590 0.053 17824 2999 1 8 . 1 1 35 35 TRP C C 35 175.833 175.833 175.841 -0.008 17824 3000 1 8 . 1 1 35 35 TRP CA C 35 56.900 56.900 56.822 0.078 17824 3001 1 8 . 1 1 35 35 TRP CB C 35 29.375 29.375 29.705 -0.330 17824 3002 1 8 . 1 1 35 35 TRP H H 35 7.831 7.831 8.434 -0.603 17824 3003 1 8 . 1 1 36 36 ASP N N 36 121.178 121.178 124.770 -3.592 17824 3004 1 8 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.945 -0.371 17824 3005 1 8 . 1 1 36 36 ASP C C 36 175.821 175.821 175.410 0.411 17824 3006 1 8 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.752 0.870 17824 3007 1 8 . 1 1 36 36 ASP CB C 36 41.150 41.150 44.486 -3.337 17824 3008 1 8 . 1 1 36 36 ASP H H 36 8.111 8.111 8.211 -0.100 17824 3009 1 8 . 1 1 37 37 ILE N N 37 120.177 120.177 119.885 0.292 17824 3010 1 8 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.512 -0.356 17824 3011 1 8 . 1 1 37 37 ILE C C 37 175.817 175.817 174.707 1.110 17824 3012 1 8 . 1 1 37 37 ILE CA C 37 61.638 61.638 60.983 0.655 17824 3013 1 8 . 1 1 37 37 ILE CB C 37 39.034 39.034 37.971 1.063 17824 3014 1 8 . 1 1 37 37 ILE H H 37 7.820 7.820 8.381 -0.561 17824 3015 1 8 . 1 1 38 38 VAL N N 38 124.844 124.844 126.682 -1.838 17824 3016 1 8 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.434 -0.274 17824 3017 1 8 . 1 1 38 38 VAL C C 38 176.102 176.102 176.024 0.078 17824 3018 1 8 . 1 1 38 38 VAL CA C 38 62.055 62.055 60.959 1.096 17824 3019 1 8 . 1 1 38 38 VAL CB C 38 32.764 32.764 35.782 -3.018 17824 3020 1 8 . 1 1 38 38 VAL H H 38 8.203 8.203 8.014 0.189 17824 3021 1 8 . 1 1 39 39 VAL N N 39 123.813 123.813 123.899 -0.086 17824 3022 1 8 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.840 0.298 17824 3023 1 8 . 1 1 39 39 VAL C C 39 174.919 174.919 176.040 -1.121 17824 3024 1 8 . 1 1 39 39 VAL CA C 39 62.605 62.605 64.884 -2.279 17824 3025 1 8 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.874 0.951 17824 3026 1 8 . 1 1 39 39 VAL H H 39 8.163 8.163 8.578 -0.415 17824 3027 1 8 . 1 1 40 40 ASP N N 40 122.074 122.074 112.940 9.134 17824 3028 1 8 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.531 -0.063 17824 3029 1 8 . 1 1 40 40 ASP C C 40 174.408 174.408 175.099 -0.691 17824 3030 1 8 . 1 1 40 40 ASP CA C 40 54.389 54.389 54.099 0.290 17824 3031 1 8 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.114 1.041 17824 3032 1 8 . 1 1 40 40 ASP H H 40 8.154 8.154 8.356 -0.202 17824 3033 1 8 . 1 1 41 41 ASN N N 41 115.983 115.983 116.185 -0.202 17824 3034 1 8 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.890 -0.128 17824 3035 1 8 . 1 1 41 41 ASN C C 41 174.643 174.643 173.770 0.873 17824 3036 1 8 . 1 1 41 41 ASN CA C 41 52.326 52.326 51.787 0.539 17824 3037 1 8 . 1 1 41 41 ASN CB C 41 40.384 40.384 42.064 -1.680 17824 3038 1 8 . 1 1 41 41 ASN H H 41 7.901 7.901 7.147 0.754 17824 3039 1 8 . 1 1 42 42 CYS N N 42 123.612 123.612 122.011 1.601 17824 3040 1 8 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.512 -0.226 17824 3041 1 8 . 1 1 42 42 CYS C C 42 176.756 176.756 175.459 1.297 17824 3042 1 8 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.477 0.323 17824 3043 1 8 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.491 4.282 17824 3044 1 8 . 1 1 42 42 CYS H H 42 8.503 8.503 8.731 -0.228 17824 3045 1 8 . 1 1 43 43 ALA N N 43 132.181 132.181 131.413 0.768 17824 3046 1 8 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.213 -0.048 17824 3047 1 8 . 1 1 43 43 ALA C C 43 177.706 177.706 177.752 -0.046 17824 3048 1 8 . 1 1 43 43 ALA CA C 43 53.643 53.643 53.955 -0.312 17824 3049 1 8 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.606 0.805 17824 3050 1 8 . 1 1 43 43 ALA H H 43 9.493 9.493 8.777 0.716 17824 3051 1 8 . 1 1 44 44 ILE N N 44 116.079 116.079 116.346 -0.267 17824 3052 1 8 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.557 0.239 17824 3053 1 8 . 1 1 44 44 ILE C C 44 176.208 176.208 177.077 -0.869 17824 3054 1 8 . 1 1 44 44 ILE CA C 44 64.532 64.532 64.238 0.294 17824 3055 1 8 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.988 1.104 17824 3056 1 8 . 1 1 44 44 ILE H H 44 7.956 7.956 7.836 0.120 17824 3057 1 8 . 1 1 45 45 CYS N N 45 116.456 116.456 112.203 4.253 17824 3058 1 8 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.539 0.485 17824 3059 1 8 . 1 1 45 45 CYS C C 45 175.747 175.747 174.782 0.965 17824 3060 1 8 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.657 1.524 17824 3061 1 8 . 1 1 45 45 CYS CB C 45 32.878 32.878 28.814 4.064 17824 3062 1 8 . 1 1 45 45 CYS H H 45 7.818 7.818 7.854 -0.036 17824 3063 1 8 . 1 1 46 46 ARG N N 46 117.125 117.125 121.435 -4.310 17824 3064 1 8 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.071 -0.066 17824 3065 1 8 . 1 1 46 46 ARG C C 46 175.539 175.539 174.082 1.457 17824 3066 1 8 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.602 3.182 17824 3067 1 8 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.304 -0.710 17824 3068 1 8 . 1 1 46 46 ARG H H 46 8.511 8.511 8.151 0.360 17824 3069 1 8 . 1 1 47 47 ASN N N 47 121.377 121.377 116.021 5.356 17824 3070 1 8 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.938 0.074 17824 3071 1 8 . 1 1 47 47 ASN C C 47 175.537 175.537 173.694 1.843 17824 3072 1 8 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.803 -2.781 17824 3073 1 8 . 1 1 47 47 ASN CB C 47 39.015 39.015 42.108 -3.093 17824 3074 1 8 . 1 1 47 47 ASN H H 47 8.720 8.720 8.003 0.717 17824 3075 1 8 . 1 1 48 48 HIS N N 48 122.235 122.235 119.274 2.961 17824 3076 1 8 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.984 -0.485 17824 3077 1 8 . 1 1 48 48 HIS C C 48 177.722 177.722 176.951 0.771 17824 3078 1 8 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.013 1.859 17824 3079 1 8 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.587 -0.867 17824 3080 1 8 . 1 1 48 48 HIS H H 48 9.226 9.226 8.822 0.404 17824 3081 1 8 . 1 1 49 49 ILE N N 49 126.643 126.643 124.559 2.084 17824 3082 1 8 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.630 -0.230 17824 3083 1 8 . 1 1 49 49 ILE CA C 49 61.488 61.488 63.551 -2.063 17824 3084 1 8 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.691 0.280 17824 3085 1 8 . 1 1 49 49 ILE H H 49 7.991 7.991 7.583 0.408 17824 3086 1 8 . 1 1 50 50 MET HA H 50 4.268 4.268 4.623 -0.355 17824 3087 1 8 . 1 1 50 50 MET C C 50 177.236 177.236 174.392 2.844 17824 3088 1 8 . 1 1 50 50 MET CA C 50 54.795 54.795 54.775 0.020 17824 3089 1 8 . 1 1 50 50 MET CB C 50 31.357 31.357 32.519 -1.162 17824 3090 1 8 . 1 1 51 51 ASP N N 51 121.143 121.143 122.928 -1.785 17824 3091 1 8 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.186 -0.173 17824 3092 1 8 . 1 1 51 51 ASP C C 51 176.770 176.770 175.109 1.661 17824 3093 1 8 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.899 -2.796 17824 3094 1 8 . 1 1 51 51 ASP CB C 51 43.285 43.285 43.830 -0.545 17824 3095 1 8 . 1 1 51 51 ASP H H 51 7.854 7.854 7.982 -0.128 17824 3096 1 8 . 1 1 52 52 LEU N N 52 119.501 119.501 122.139 -2.638 17824 3097 1 8 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.341 0.005 17824 3098 1 8 . 1 1 52 52 LEU C C 52 177.049 177.049 176.515 0.534 17824 3099 1 8 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.317 0.114 17824 3100 1 8 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.564 0.791 17824 3101 1 8 . 1 1 52 52 LEU H H 52 8.484 8.484 8.598 -0.114 17824 3102 1 8 . 1 1 53 53 CYS N N 53 120.790 120.790 119.249 1.541 17824 3103 1 8 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.512 -0.666 17824 3104 1 8 . 1 1 53 53 CYS C C 53 175.247 175.247 176.589 -1.342 17824 3105 1 8 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.555 -0.724 17824 3106 1 8 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.072 3.572 17824 3107 1 8 . 1 1 53 53 CYS H H 53 8.151 8.151 8.344 -0.193 17824 3108 1 8 . 1 1 54 54 ILE N N 54 116.790 116.790 120.673 -3.883 17824 3109 1 8 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.644 0.291 17824 3110 1 8 . 1 1 54 54 ILE C C 54 176.615 176.615 177.681 -1.066 17824 3111 1 8 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.679 -1.773 17824 3112 1 8 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.468 1.566 17824 3113 1 8 . 1 1 54 54 ILE H H 54 6.626 6.626 8.762 -2.136 17824 3114 1 8 . 1 1 55 55 GLU N N 55 123.451 123.451 120.646 2.805 17824 3115 1 8 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.044 0.110 17824 3116 1 8 . 1 1 55 55 GLU C C 55 179.075 179.075 178.528 0.547 17824 3117 1 8 . 1 1 55 55 GLU CA C 55 59.781 59.781 59.283 0.498 17824 3118 1 8 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.068 1.396 17824 3119 1 8 . 1 1 55 55 GLU H H 55 7.642 7.642 8.590 -0.948 17824 3120 1 8 . 1 1 56 56 CYS N N 56 124.445 124.445 117.211 7.234 17824 3121 1 8 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.190 -0.202 17824 3122 1 8 . 1 1 56 56 CYS C C 56 178.290 178.290 177.285 1.005 17824 3123 1 8 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.380 2.598 17824 3124 1 8 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.165 3.487 17824 3125 1 8 . 1 1 56 56 CYS H H 56 8.676 8.676 8.164 0.512 17824 3126 1 8 . 1 1 57 57 GLN N N 57 117.736 117.736 120.282 -2.546 17824 3127 1 8 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.066 -0.174 17824 3128 1 8 . 1 1 57 57 GLN C C 57 177.428 177.428 177.714 -0.286 17824 3129 1 8 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.257 0.616 17824 3130 1 8 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.521 1.307 17824 3131 1 8 . 1 1 57 57 GLN H H 57 8.419 8.419 8.632 -0.213 17824 3132 1 8 . 1 1 58 58 ALA N N 58 119.578 119.578 121.857 -2.279 17824 3133 1 8 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.108 0.169 17824 3134 1 8 . 1 1 58 58 ALA C C 58 178.087 178.087 179.446 -1.359 17824 3135 1 8 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.792 -0.270 17824 3136 1 8 . 1 1 58 58 ALA CB C 58 19.017 19.017 19.030 -0.013 17824 3137 1 8 . 1 1 58 58 ALA H H 58 7.335 7.335 7.685 -0.350 17824 3138 1 8 . 1 1 59 59 ASN N N 59 116.209 116.209 114.881 1.328 17824 3139 1 8 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.546 0.272 17824 3140 1 8 . 1 1 59 59 ASN C C 59 175.372 175.372 175.658 -0.286 17824 3141 1 8 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.194 -1.536 17824 3142 1 8 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.104 0.005 17824 3143 1 8 . 1 1 59 59 ASN H H 59 7.617 7.617 8.366 -0.749 17824 3144 1 8 . 1 1 60 60 GLN N N 60 120.078 120.078 117.363 2.715 17824 3145 1 8 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.934 0.278 17824 3146 1 8 . 1 1 60 60 GLN C C 60 176.218 176.218 174.002 2.216 17824 3147 1 8 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.045 1.265 17824 3148 1 8 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.856 1.794 17824 3149 1 8 . 1 1 60 60 GLN H H 60 8.116 8.116 7.839 0.277 17824 3150 1 8 . 1 1 61 61 ALA N N 61 122.298 122.298 123.508 -1.210 17824 3151 1 8 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.227 0.091 17824 3152 1 8 . 1 1 61 61 ALA C C 61 177.964 177.964 176.476 1.488 17824 3153 1 8 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.265 1.175 17824 3154 1 8 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.832 -1.180 17824 3155 1 8 . 1 1 61 61 ALA H H 61 8.345 8.345 7.765 0.580 17824 3156 1 8 . 1 1 62 62 SER N N 62 113.232 113.232 117.572 -4.340 17824 3157 1 8 . 1 1 62 62 SER HA H 62 4.454 4.454 4.565 -0.111 17824 3158 1 8 . 1 1 62 62 SER C C 62 174.747 174.747 174.514 0.233 17824 3159 1 8 . 1 1 62 62 SER CA C 62 58.197 58.197 58.142 0.055 17824 3160 1 8 . 1 1 62 62 SER CB C 62 63.906 63.906 61.796 2.110 17824 3161 1 8 . 1 1 62 62 SER H H 62 8.011 8.011 8.613 -0.602 17824 3162 1 8 . 1 1 63 63 ALA N N 63 125.573 125.573 123.631 1.942 17824 3163 1 8 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.531 -0.348 17824 3164 1 8 . 1 1 63 63 ALA C C 63 178.091 178.091 176.268 1.823 17824 3165 1 8 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.766 0.240 17824 3166 1 8 . 1 1 63 63 ALA CB C 63 18.756 18.756 20.521 -1.765 17824 3167 1 8 . 1 1 63 63 ALA H H 63 8.323 8.323 7.472 0.851 17824 3168 1 8 . 1 1 64 64 THR N N 64 111.006 111.006 110.779 0.227 17824 3169 1 8 . 1 1 64 64 THR HA H 64 4.495 4.495 4.523 -0.028 17824 3170 1 8 . 1 1 64 64 THR C C 64 175.346 175.346 172.976 2.370 17824 3171 1 8 . 1 1 64 64 THR CA C 64 61.903 61.903 61.433 0.470 17824 3172 1 8 . 1 1 64 64 THR CB C 64 69.903 69.903 72.281 -2.378 17824 3173 1 8 . 1 1 64 64 THR H H 64 8.071 8.071 7.540 0.531 17824 3174 1 8 . 1 1 65 65 SER N N 65 118.037 118.037 116.896 1.141 17824 3175 1 8 . 1 1 65 65 SER HA H 65 4.524 4.524 4.566 -0.042 17824 3176 1 8 . 1 1 65 65 SER C C 65 175.131 175.131 175.416 -0.285 17824 3177 1 8 . 1 1 65 65 SER CA C 65 59.795 59.795 59.348 0.447 17824 3178 1 8 . 1 1 65 65 SER CB C 65 63.833 63.833 64.516 -0.683 17824 3179 1 8 . 1 1 65 65 SER H H 65 8.328 8.328 8.560 -0.232 17824 3180 1 8 . 1 1 66 66 GLU N N 66 121.505 121.505 121.295 0.210 17824 3181 1 8 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.136 0.178 17824 3182 1 8 . 1 1 66 66 GLU C C 66 176.394 176.394 175.779 0.615 17824 3183 1 8 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.434 -1.439 17824 3184 1 8 . 1 1 66 66 GLU CB C 66 30.310 30.310 29.883 0.427 17824 3185 1 8 . 1 1 66 66 GLU H H 66 8.368 8.368 8.652 -0.284 17824 3186 1 8 . 1 1 67 67 GLU N N 67 119.409 119.409 112.859 6.550 17824 3187 1 8 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.577 -0.286 17824 3188 1 8 . 1 1 67 67 GLU C C 67 175.079 175.079 175.283 -0.204 17824 3189 1 8 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.249 2.231 17824 3190 1 8 . 1 1 67 67 GLU CB C 67 29.931 29.931 32.068 -2.137 17824 3191 1 8 . 1 1 67 67 GLU H H 67 8.074 8.074 7.829 0.245 17824 3192 1 8 . 1 1 68 68 CYS N N 68 126.937 126.937 122.594 4.343 17824 3193 1 8 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.514 -0.226 17824 3194 1 8 . 1 1 68 68 CYS C C 68 174.423 174.423 174.671 -0.248 17824 3195 1 8 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.282 -0.473 17824 3196 1 8 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.610 0.060 17824 3197 1 8 . 1 1 68 68 CYS H H 68 8.340 8.340 8.533 -0.193 17824 3198 1 8 . 1 1 69 69 THR N N 69 116.442 116.442 113.054 3.388 17824 3199 1 8 . 1 1 69 69 THR HA H 69 4.891 4.891 4.543 0.348 17824 3200 1 8 . 1 1 69 69 THR C C 69 175.561 175.561 172.894 2.667 17824 3201 1 8 . 1 1 69 69 THR CA C 69 60.817 60.817 60.732 0.085 17824 3202 1 8 . 1 1 69 69 THR CB C 69 71.654 71.654 71.595 0.059 17824 3203 1 8 . 1 1 69 69 THR H H 69 7.497 7.497 7.819 -0.322 17824 3204 1 8 . 1 1 70 70 VAL N N 70 123.637 123.637 125.132 -1.495 17824 3205 1 8 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.615 -0.280 17824 3206 1 8 . 1 1 70 70 VAL C C 70 174.368 174.368 173.006 1.362 17824 3207 1 8 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.140 2.802 17824 3208 1 8 . 1 1 70 70 VAL CB C 70 33.897 33.897 35.454 -1.557 17824 3209 1 8 . 1 1 70 70 VAL H H 70 8.862 8.862 8.789 0.073 17824 3210 1 8 . 1 1 71 71 ALA N N 71 128.540 128.540 129.007 -0.467 17824 3211 1 8 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.550 0.736 17824 3212 1 8 . 1 1 71 71 ALA C C 71 174.520 174.520 175.135 -0.615 17824 3213 1 8 . 1 1 71 71 ALA CA C 71 50.772 50.772 51.063 -0.291 17824 3214 1 8 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.461 1.514 17824 3215 1 8 . 1 1 71 71 ALA H H 71 9.247 9.247 8.570 0.677 17824 3216 1 8 . 1 1 72 72 TRP N N 72 120.167 120.167 120.836 -0.669 17824 3217 1 8 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.098 0.322 17824 3218 1 8 . 1 1 72 72 TRP C C 72 177.182 177.182 176.543 0.639 17824 3219 1 8 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.370 1.393 17824 3220 1 8 . 1 1 72 72 TRP CB C 72 32.630 32.630 32.102 0.528 17824 3221 1 8 . 1 1 72 72 TRP H H 72 9.065 9.065 8.160 0.905 17824 3222 1 8 . 1 1 73 73 GLY N N 73 110.755 110.755 107.505 3.250 17824 3223 1 8 . 1 1 73 73 GLY C C 73 177.914 177.914 174.889 3.025 17824 3224 1 8 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.392 0.775 17824 3225 1 8 . 1 1 73 73 GLY H H 73 9.128 9.128 9.453 -0.325 17824 3226 1 8 . 1 1 74 74 VAL N N 74 122.747 122.747 126.222 -3.475 17824 3227 1 8 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.721 0.115 17824 3228 1 8 . 1 1 74 74 VAL C C 74 176.014 176.014 176.661 -0.647 17824 3229 1 8 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.220 -0.227 17824 3230 1 8 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.826 -0.106 17824 3231 1 8 . 1 1 74 74 VAL H H 74 8.299 8.299 8.470 -0.171 17824 3232 1 8 . 1 1 75 75 CYS N N 75 116.720 116.720 115.941 0.779 17824 3233 1 8 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.404 -0.109 17824 3234 1 8 . 1 1 75 75 CYS C C 75 174.359 174.359 174.720 -0.361 17824 3235 1 8 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.572 0.645 17824 3236 1 8 . 1 1 75 75 CYS CB C 75 29.701 29.701 24.974 4.727 17824 3237 1 8 . 1 1 75 75 CYS H H 75 7.567 7.567 8.011 -0.444 17824 3238 1 8 . 1 1 76 76 ASN N N 76 114.522 114.522 119.018 -4.496 17824 3239 1 8 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.277 0.157 17824 3240 1 8 . 1 1 76 76 ASN C C 76 173.726 173.726 173.445 0.281 17824 3241 1 8 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.181 1.471 17824 3242 1 8 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.568 0.380 17824 3243 1 8 . 1 1 76 76 ASN H H 76 8.060 8.060 8.047 0.013 17824 3244 1 8 . 1 1 77 77 HIS N N 77 117.754 117.754 116.872 0.882 17824 3245 1 8 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.759 -0.042 17824 3246 1 8 . 1 1 77 77 HIS C C 77 172.650 172.650 173.028 -0.378 17824 3247 1 8 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.683 3.143 17824 3248 1 8 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.440 -1.551 17824 3249 1 8 . 1 1 77 77 HIS H H 77 7.797 7.797 7.618 0.179 17824 3250 1 8 . 1 1 78 78 ALA N N 78 122.889 122.889 122.703 0.186 17824 3251 1 8 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.148 -0.199 17824 3252 1 8 . 1 1 78 78 ALA C C 78 174.873 174.873 174.882 -0.009 17824 3253 1 8 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.583 -2.054 17824 3254 1 8 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.927 -1.850 17824 3255 1 8 . 1 1 78 78 ALA H H 78 7.811 7.811 8.375 -0.564 17824 3256 1 8 . 1 1 79 79 PHE N N 79 113.618 113.618 119.523 -5.905 17824 3257 1 8 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.716 -0.017 17824 3258 1 8 . 1 1 79 79 PHE C C 79 176.138 176.138 174.616 1.522 17824 3259 1 8 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.909 -1.560 17824 3260 1 8 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.394 2.192 17824 3261 1 8 . 1 1 79 79 PHE H H 79 8.377 8.377 8.528 -0.151 17824 3262 1 8 . 1 1 80 80 HIS N N 80 118.823 118.823 120.043 -1.220 17824 3263 1 8 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.842 -0.013 17824 3264 1 8 . 1 1 80 80 HIS C C 80 177.268 177.268 176.440 0.828 17824 3265 1 8 . 1 1 80 80 HIS CA C 80 60.949 60.949 55.927 5.022 17824 3266 1 8 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.688 -0.953 17824 3267 1 8 . 1 1 80 80 HIS H H 80 8.429 8.429 8.301 0.128 17824 3268 1 8 . 1 1 81 81 PHE N N 81 129.040 129.040 126.553 2.487 17824 3269 1 8 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.158 0.181 17824 3270 1 8 . 1 1 81 81 PHE C C 81 178.911 178.911 176.836 2.075 17824 3271 1 8 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.134 -0.296 17824 3272 1 8 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.355 -0.298 17824 3273 1 8 . 1 1 81 81 PHE H H 81 9.881 9.881 8.769 1.112 17824 3274 1 8 . 1 1 82 82 HIS N N 82 120.611 120.611 119.410 1.201 17824 3275 1 8 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.079 0.207 17824 3276 1 8 . 1 1 82 82 HIS C C 82 177.694 177.694 177.003 0.691 17824 3277 1 8 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.980 -1.076 17824 3278 1 8 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.992 2.841 17824 3279 1 8 . 1 1 82 82 HIS H H 82 10.457 10.457 8.201 2.256 17824 3280 1 8 . 1 1 83 83 CYS N N 83 117.628 117.628 117.536 0.092 17824 3281 1 8 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.000 0.154 17824 3282 1 8 . 1 1 83 83 CYS C C 83 177.768 177.768 176.962 0.806 17824 3283 1 8 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.095 0.873 17824 3284 1 8 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.237 2.667 17824 3285 1 8 . 1 1 83 83 CYS H H 83 6.933 6.933 8.294 -1.361 17824 3286 1 8 . 1 1 84 84 ILE N N 84 119.139 119.139 120.465 -1.326 17824 3287 1 8 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.376 0.466 17824 3288 1 8 . 1 1 84 84 ILE C C 84 175.705 175.705 176.956 -1.251 17824 3289 1 8 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.334 -3.457 17824 3290 1 8 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.615 0.462 17824 3291 1 8 . 1 1 84 84 ILE H H 84 8.290 8.290 8.724 -0.434 17824 3292 1 8 . 1 1 85 85 SER N N 85 118.224 118.224 116.170 2.054 17824 3293 1 8 . 1 1 85 85 SER HA H 85 3.995 3.995 3.947 0.048 17824 3294 1 8 . 1 1 85 85 SER C C 85 176.097 176.097 176.604 -0.507 17824 3295 1 8 . 1 1 85 85 SER CA C 85 62.841 62.841 62.404 0.437 17824 3296 1 8 . 1 1 85 85 SER CB C 85 62.009 62.009 62.456 -0.447 17824 3297 1 8 . 1 1 85 85 SER H H 85 8.157 8.157 8.105 0.052 17824 3298 1 8 . 1 1 86 86 ARG N N 86 120.496 120.496 121.739 -1.243 17824 3299 1 8 . 1 1 86 86 ARG HA H 86 4.024 4.024 3.958 0.066 17824 3300 1 8 . 1 1 86 86 ARG C C 86 179.382 179.382 178.121 1.261 17824 3301 1 8 . 1 1 86 86 ARG CA C 86 59.865 59.865 59.525 0.340 17824 3302 1 8 . 1 1 86 86 ARG CB C 86 29.860 29.860 30.039 -0.179 17824 3303 1 8 . 1 1 86 86 ARG H H 86 7.174 7.174 7.426 -0.252 17824 3304 1 8 . 1 1 87 87 TRP N N 87 123.951 123.951 121.984 1.967 17824 3305 1 8 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.236 -0.077 17824 3306 1 8 . 1 1 87 87 TRP C C 87 177.572 177.572 178.310 -0.738 17824 3307 1 8 . 1 1 87 87 TRP CA C 87 60.924 60.924 59.973 0.951 17824 3308 1 8 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.413 -0.167 17824 3309 1 8 . 1 1 87 87 TRP H H 87 7.981 7.981 7.932 0.049 17824 3310 1 8 . 1 1 88 88 LEU N N 88 116.707 116.707 117.474 -0.767 17824 3311 1 8 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.227 0.536 17824 3312 1 8 . 1 1 88 88 LEU C C 88 178.008 178.008 178.492 -0.484 17824 3313 1 8 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.529 -0.801 17824 3314 1 8 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.598 0.598 17824 3315 1 8 . 1 1 88 88 LEU H H 88 8.246 8.246 8.195 0.051 17824 3316 1 8 . 1 1 89 89 LYS N N 89 117.240 117.240 117.647 -0.407 17824 3317 1 8 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.072 0.009 17824 3318 1 8 . 1 1 89 89 LYS C C 89 178.385 178.385 178.033 0.352 17824 3319 1 8 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.588 0.323 17824 3320 1 8 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.137 0.167 17824 3321 1 8 . 1 1 89 89 LYS H H 89 7.309 7.309 7.673 -0.364 17824 3322 1 8 . 1 1 90 90 THR N N 90 106.446 106.446 107.975 -1.529 17824 3323 1 8 . 1 1 90 90 THR HA H 90 4.383 4.383 4.129 0.254 17824 3324 1 8 . 1 1 90 90 THR C C 90 173.919 173.919 174.805 -0.886 17824 3325 1 8 . 1 1 90 90 THR CA C 90 62.069 62.069 62.710 -0.641 17824 3326 1 8 . 1 1 90 90 THR CB C 90 70.133 70.133 69.561 0.572 17824 3327 1 8 . 1 1 90 90 THR H H 90 7.452 7.452 7.400 0.052 17824 3328 1 8 . 1 1 91 91 ARG N N 91 121.616 121.616 119.975 1.641 17824 3329 1 8 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.398 0.007 17824 3330 1 8 . 1 1 91 91 ARG C C 91 174.754 174.754 175.289 -0.535 17824 3331 1 8 . 1 1 91 91 ARG CA C 91 54.833 54.833 54.046 0.787 17824 3332 1 8 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.262 1.623 17824 3333 1 8 . 1 1 91 91 ARG H H 91 7.426 7.426 7.714 -0.288 17824 3334 1 8 . 1 1 92 92 GLN N N 92 118.161 118.161 119.729 -1.568 17824 3335 1 8 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.389 0.319 17824 3336 1 8 . 1 1 92 92 GLN C C 92 176.437 176.437 174.951 1.486 17824 3337 1 8 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.487 -1.704 17824 3338 1 8 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.543 -0.585 17824 3339 1 8 . 1 1 92 92 GLN H H 92 8.526 8.526 8.655 -0.129 17824 3340 1 8 . 1 1 93 93 VAL N N 93 109.557 109.557 112.164 -2.607 17824 3341 1 8 . 1 1 93 93 VAL HA H 93 5.065 5.065 5.236 -0.171 17824 3342 1 8 . 1 1 93 93 VAL C C 93 174.806 174.806 175.440 -0.634 17824 3343 1 8 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.048 -0.700 17824 3344 1 8 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.893 0.415 17824 3345 1 8 . 1 1 93 93 VAL H H 93 7.083 7.083 7.183 -0.100 17824 3346 1 8 . 1 1 94 94 CYS N N 94 123.889 123.889 122.040 1.849 17824 3347 1 8 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.624 -0.120 17824 3348 1 8 . 1 1 94 94 CYS CA C 94 56.860 56.860 60.515 -3.655 17824 3349 1 8 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.376 4.389 17824 3350 1 8 . 1 1 94 94 CYS H H 94 9.020 9.020 9.343 -0.323 17824 3351 1 8 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.212 -0.132 17824 3352 1 8 . 1 1 95 95 PRO C C 95 177.037 177.037 177.082 -0.045 17824 3353 1 8 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.752 -0.754 17824 3354 1 8 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.684 0.978 17824 3355 1 8 . 1 1 96 96 LEU N N 96 118.497 118.497 118.877 -0.380 17824 3356 1 8 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.171 0.145 17824 3357 1 8 . 1 1 96 96 LEU C C 96 177.797 177.797 178.009 -0.212 17824 3358 1 8 . 1 1 96 96 LEU CA C 96 55.812 55.812 57.180 -1.368 17824 3359 1 8 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.815 1.260 17824 3360 1 8 . 1 1 96 96 LEU H H 96 8.798 8.798 8.139 0.659 17824 3361 1 8 . 1 1 97 97 ASP N N 97 114.958 114.958 114.464 0.494 17824 3362 1 8 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.819 0.133 17824 3363 1 8 . 1 1 97 97 ASP C C 97 175.946 175.946 175.611 0.335 17824 3364 1 8 . 1 1 97 97 ASP CA C 97 54.712 54.712 53.842 0.870 17824 3365 1 8 . 1 1 97 97 ASP CB C 97 43.183 43.183 42.599 0.584 17824 3366 1 8 . 1 1 97 97 ASP H H 97 7.396 7.396 8.186 -0.790 17824 3367 1 8 . 1 1 98 98 ASN N N 98 115.407 115.407 116.148 -0.741 17824 3368 1 8 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.612 -0.188 17824 3369 1 8 . 1 1 98 98 ASN C C 98 173.934 173.934 174.244 -0.310 17824 3370 1 8 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.563 0.738 17824 3371 1 8 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.346 1.650 17824 3372 1 8 . 1 1 98 98 ASN H H 98 8.332 8.332 8.427 -0.095 17824 3373 1 8 . 1 1 99 99 ARG N N 99 119.005 119.005 119.423 -0.418 17824 3374 1 8 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.545 -0.073 17824 3375 1 8 . 1 1 99 99 ARG C C 99 176.631 176.631 175.805 0.826 17824 3376 1 8 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.901 0.920 17824 3377 1 8 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.056 -1.086 17824 3378 1 8 . 1 1 99 99 ARG H H 99 8.825 8.825 8.112 0.713 17824 3379 1 8 . 1 1 100 100 GLU N N 100 122.676 122.676 122.805 -0.129 17824 3380 1 8 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.276 -0.126 17824 3381 1 8 . 1 1 100 100 GLU C C 100 176.647 176.647 176.074 0.573 17824 3382 1 8 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.265 1.083 17824 3383 1 8 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.289 -0.555 17824 3384 1 8 . 1 1 100 100 GLU H H 100 8.869 8.869 8.802 0.067 17824 3385 1 8 . 1 1 101 101 TRP N N 101 126.288 126.288 130.805 -4.517 17824 3386 1 8 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.741 -0.138 17824 3387 1 8 . 1 1 101 101 TRP C C 101 175.786 175.786 175.165 0.621 17824 3388 1 8 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.428 0.507 17824 3389 1 8 . 1 1 101 101 TRP CB C 101 29.758 29.758 29.700 0.058 17824 3390 1 8 . 1 1 101 101 TRP H H 101 8.437 8.437 8.340 0.097 17824 3391 1 8 . 1 1 102 102 GLU N N 102 127.912 127.912 124.913 2.999 17824 3392 1 8 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.412 -0.140 17824 3393 1 8 . 1 1 102 102 GLU C C 102 174.791 174.791 174.835 -0.044 17824 3394 1 8 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.106 0.618 17824 3395 1 8 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.263 -0.008 17824 3396 1 8 . 1 1 102 102 GLU H H 102 7.319 7.319 7.906 -0.587 17824 3397 1 8 . 1 1 103 103 PHE N N 103 122.445 122.445 122.133 0.312 17824 3398 1 8 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.508 -0.140 17824 3399 1 8 . 1 1 103 103 PHE C C 103 176.419 176.419 176.007 0.412 17824 3400 1 8 . 1 1 103 103 PHE CA C 103 60.070 60.070 59.278 0.792 17824 3401 1 8 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.765 0.109 17824 3402 1 8 . 1 1 103 103 PHE H H 103 8.827 8.827 8.839 -0.012 17824 3403 1 8 . 1 1 104 104 GLN N N 104 122.896 122.896 126.023 -3.127 17824 3404 1 8 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.703 -0.417 17824 3405 1 8 . 1 1 104 104 GLN C C 104 175.487 175.487 174.993 0.494 17824 3406 1 8 . 1 1 104 104 GLN CA C 104 56.270 56.270 54.315 1.955 17824 3407 1 8 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.557 -0.011 17824 3408 1 8 . 1 1 104 104 GLN H H 104 9.119 9.119 9.214 -0.095 17824 3409 1 8 . 1 1 105 105 LYS N N 105 121.917 121.917 127.435 -5.518 17824 3410 1 8 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.128 0.308 17824 3411 1 8 . 1 1 105 105 LYS C C 105 175.219 175.219 176.037 -0.818 17824 3412 1 8 . 1 1 105 105 LYS CA C 105 56.282 56.282 56.630 -0.348 17824 3413 1 8 . 1 1 105 105 LYS CB C 105 33.804 33.804 32.609 1.195 17824 3414 1 8 . 1 1 105 105 LYS H H 105 8.308 8.308 8.593 -0.285 17824 3415 1 8 . 1 1 106 106 TYR N N 106 121.451 121.451 121.033 0.418 17824 3416 1 8 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.397 0.417 17824 3417 1 8 . 1 1 106 106 TYR C C 106 176.017 176.017 176.509 -0.492 17824 3418 1 8 . 1 1 106 106 TYR CA C 106 57.828 57.828 58.426 -0.598 17824 3419 1 8 . 1 1 106 106 TYR CB C 106 39.606 39.606 37.823 1.783 17824 3420 1 8 . 1 1 106 106 TYR H H 106 8.431 8.431 7.944 0.487 17824 3421 1 8 . 1 1 107 107 GLY N N 107 110.965 110.965 112.321 -1.356 17824 3422 1 8 . 1 1 107 107 GLY C C 107 172.723 172.723 173.147 -0.424 17824 3423 1 8 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.133 1.149 17824 3424 1 8 . 1 1 107 107 GLY H H 107 8.395 8.395 8.513 -0.118 17824 3425 1 9 . 1 1 35 35 TRP N N 35 118.681 118.681 122.257 -3.576 17824 3426 1 9 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.566 0.077 17824 3427 1 9 . 1 1 35 35 TRP C C 35 175.833 175.833 176.133 -0.300 17824 3428 1 9 . 1 1 35 35 TRP CA C 35 56.900 56.900 58.489 -1.589 17824 3429 1 9 . 1 1 35 35 TRP CB C 35 29.375 29.375 30.148 -0.773 17824 3430 1 9 . 1 1 35 35 TRP H H 35 7.831 7.831 8.305 -0.474 17824 3431 1 9 . 1 1 36 36 ASP N N 36 121.178 121.178 117.056 4.122 17824 3432 1 9 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.706 -0.132 17824 3433 1 9 . 1 1 36 36 ASP C C 36 175.821 175.821 174.437 1.384 17824 3434 1 9 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.680 0.942 17824 3435 1 9 . 1 1 36 36 ASP CB C 36 41.150 41.150 42.179 -1.029 17824 3436 1 9 . 1 1 36 36 ASP H H 36 8.111 8.111 8.042 0.069 17824 3437 1 9 . 1 1 37 37 ILE N N 37 120.177 120.177 116.364 3.813 17824 3438 1 9 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.509 -0.353 17824 3439 1 9 . 1 1 37 37 ILE C C 37 175.817 175.817 175.059 0.758 17824 3440 1 9 . 1 1 37 37 ILE CA C 37 61.638 61.638 60.236 1.402 17824 3441 1 9 . 1 1 37 37 ILE CB C 37 39.034 39.034 40.541 -1.507 17824 3442 1 9 . 1 1 37 37 ILE H H 37 7.820 7.820 8.013 -0.193 17824 3443 1 9 . 1 1 38 38 VAL N N 38 124.844 124.844 122.424 2.420 17824 3444 1 9 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.249 -0.089 17824 3445 1 9 . 1 1 38 38 VAL C C 38 176.102 176.102 176.736 -0.634 17824 3446 1 9 . 1 1 38 38 VAL CA C 38 62.055 62.055 62.251 -0.196 17824 3447 1 9 . 1 1 38 38 VAL CB C 38 32.764 32.764 32.258 0.506 17824 3448 1 9 . 1 1 38 38 VAL H H 38 8.203 8.203 8.436 -0.233 17824 3449 1 9 . 1 1 39 39 VAL N N 39 123.813 123.813 127.208 -3.395 17824 3450 1 9 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.777 0.361 17824 3451 1 9 . 1 1 39 39 VAL C C 39 174.919 174.919 175.573 -0.654 17824 3452 1 9 . 1 1 39 39 VAL CA C 39 62.605 62.605 64.045 -1.440 17824 3453 1 9 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.526 1.298 17824 3454 1 9 . 1 1 39 39 VAL H H 39 8.163 8.163 8.705 -0.542 17824 3455 1 9 . 1 1 40 40 ASP N N 40 122.074 122.074 117.899 4.175 17824 3456 1 9 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.667 -0.199 17824 3457 1 9 . 1 1 40 40 ASP C C 40 174.408 174.408 175.142 -0.734 17824 3458 1 9 . 1 1 40 40 ASP CA C 40 54.389 54.389 55.142 -0.753 17824 3459 1 9 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.486 0.669 17824 3460 1 9 . 1 1 40 40 ASP H H 40 8.154 8.154 8.153 0.001 17824 3461 1 9 . 1 1 41 41 ASN N N 41 115.983 115.983 117.805 -1.822 17824 3462 1 9 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.728 0.034 17824 3463 1 9 . 1 1 41 41 ASN C C 41 174.643 174.643 173.851 0.792 17824 3464 1 9 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.261 0.065 17824 3465 1 9 . 1 1 41 41 ASN CB C 41 40.384 40.384 40.489 -0.105 17824 3466 1 9 . 1 1 41 41 ASN H H 41 7.901 7.901 7.672 0.229 17824 3467 1 9 . 1 1 42 42 CYS N N 42 123.612 123.612 123.747 -0.135 17824 3468 1 9 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.431 -0.145 17824 3469 1 9 . 1 1 42 42 CYS C C 42 176.756 176.756 175.533 1.223 17824 3470 1 9 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.882 -0.082 17824 3471 1 9 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.361 4.412 17824 3472 1 9 . 1 1 42 42 CYS H H 42 8.503 8.503 8.685 -0.182 17824 3473 1 9 . 1 1 43 43 ALA N N 43 132.181 132.181 131.313 0.868 17824 3474 1 9 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.252 -0.087 17824 3475 1 9 . 1 1 43 43 ALA C C 43 177.706 177.706 178.579 -0.873 17824 3476 1 9 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.361 -0.717 17824 3477 1 9 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.479 0.932 17824 3478 1 9 . 1 1 43 43 ALA H H 43 9.493 9.493 8.818 0.675 17824 3479 1 9 . 1 1 44 44 ILE N N 44 116.079 116.079 117.051 -0.972 17824 3480 1 9 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.704 0.092 17824 3481 1 9 . 1 1 44 44 ILE C C 44 176.208 176.208 177.265 -1.057 17824 3482 1 9 . 1 1 44 44 ILE CA C 44 64.532 64.532 64.082 0.450 17824 3483 1 9 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.883 1.209 17824 3484 1 9 . 1 1 44 44 ILE H H 44 7.956 7.956 7.862 0.094 17824 3485 1 9 . 1 1 45 45 CYS N N 45 116.456 116.456 113.370 3.086 17824 3486 1 9 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.638 0.386 17824 3487 1 9 . 1 1 45 45 CYS C C 45 175.747 175.747 175.339 0.408 17824 3488 1 9 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.626 1.555 17824 3489 1 9 . 1 1 45 45 CYS CB C 45 32.878 32.878 30.371 2.507 17824 3490 1 9 . 1 1 45 45 CYS H H 45 7.818 7.818 7.812 0.006 17824 3491 1 9 . 1 1 46 46 ARG N N 46 117.125 117.125 118.902 -1.777 17824 3492 1 9 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.085 -0.080 17824 3493 1 9 . 1 1 46 46 ARG C C 46 175.539 175.539 174.828 0.711 17824 3494 1 9 . 1 1 46 46 ARG CA C 46 59.784 59.784 57.010 2.774 17824 3495 1 9 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.076 -0.482 17824 3496 1 9 . 1 1 46 46 ARG H H 46 8.511 8.511 8.392 0.119 17824 3497 1 9 . 1 1 47 47 ASN N N 47 121.377 121.377 115.860 5.517 17824 3498 1 9 . 1 1 47 47 ASN HA H 47 5.012 5.012 5.135 -0.123 17824 3499 1 9 . 1 1 47 47 ASN C C 47 175.537 175.537 173.651 1.886 17824 3500 1 9 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.400 -2.377 17824 3501 1 9 . 1 1 47 47 ASN CB C 47 39.015 39.015 42.125 -3.110 17824 3502 1 9 . 1 1 47 47 ASN H H 47 8.720 8.720 7.520 1.200 17824 3503 1 9 . 1 1 48 48 HIS N N 48 122.235 122.235 118.857 3.378 17824 3504 1 9 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.462 0.037 17824 3505 1 9 . 1 1 48 48 HIS C C 48 177.722 177.722 176.997 0.725 17824 3506 1 9 . 1 1 48 48 HIS CA C 48 58.872 58.872 58.058 0.814 17824 3507 1 9 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.304 -0.584 17824 3508 1 9 . 1 1 48 48 HIS H H 48 9.226 9.226 8.825 0.401 17824 3509 1 9 . 1 1 49 49 ILE N N 49 126.643 126.643 125.785 0.858 17824 3510 1 9 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.699 -0.299 17824 3511 1 9 . 1 1 49 49 ILE CA C 49 61.488 61.488 64.240 -2.752 17824 3512 1 9 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.828 0.143 17824 3513 1 9 . 1 1 49 49 ILE H H 49 7.991 7.991 8.484 -0.493 17824 3514 1 9 . 1 1 50 50 MET HA H 50 4.268 4.268 4.691 -0.423 17824 3515 1 9 . 1 1 50 50 MET C C 50 177.236 177.236 174.332 2.904 17824 3516 1 9 . 1 1 50 50 MET CA C 50 54.795 54.795 54.849 -0.054 17824 3517 1 9 . 1 1 50 50 MET CB C 50 31.357 31.357 32.143 -0.786 17824 3518 1 9 . 1 1 51 51 ASP N N 51 121.143 121.143 123.528 -2.385 17824 3519 1 9 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.131 -0.118 17824 3520 1 9 . 1 1 51 51 ASP C C 51 176.770 176.770 174.766 2.004 17824 3521 1 9 . 1 1 51 51 ASP CA C 51 50.103 50.103 53.328 -3.225 17824 3522 1 9 . 1 1 51 51 ASP CB C 51 43.285 43.285 43.433 -0.148 17824 3523 1 9 . 1 1 51 51 ASP H H 51 7.854 7.854 8.037 -0.183 17824 3524 1 9 . 1 1 52 52 LEU N N 52 119.501 119.501 120.953 -1.452 17824 3525 1 9 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.345 0.001 17824 3526 1 9 . 1 1 52 52 LEU C C 52 177.049 177.049 176.456 0.593 17824 3527 1 9 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.333 0.098 17824 3528 1 9 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.987 0.368 17824 3529 1 9 . 1 1 52 52 LEU H H 52 8.484 8.484 8.576 -0.092 17824 3530 1 9 . 1 1 53 53 CYS N N 53 120.790 120.790 117.384 3.406 17824 3531 1 9 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.555 -0.709 17824 3532 1 9 . 1 1 53 53 CYS C C 53 175.247 175.247 176.832 -1.585 17824 3533 1 9 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.349 -0.518 17824 3534 1 9 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.859 2.785 17824 3535 1 9 . 1 1 53 53 CYS H H 53 8.151 8.151 8.292 -0.141 17824 3536 1 9 . 1 1 54 54 ILE N N 54 116.790 116.790 119.667 -2.877 17824 3537 1 9 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.726 0.209 17824 3538 1 9 . 1 1 54 54 ILE C C 54 176.615 176.615 177.828 -1.213 17824 3539 1 9 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.504 -1.598 17824 3540 1 9 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.247 1.787 17824 3541 1 9 . 1 1 54 54 ILE H H 54 6.626 6.626 8.749 -2.123 17824 3542 1 9 . 1 1 55 55 GLU N N 55 123.451 123.451 119.490 3.961 17824 3543 1 9 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.327 -0.173 17824 3544 1 9 . 1 1 55 55 GLU C C 55 179.075 179.075 178.706 0.369 17824 3545 1 9 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.564 1.217 17824 3546 1 9 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.502 0.962 17824 3547 1 9 . 1 1 55 55 GLU H H 55 7.642 7.642 8.488 -0.846 17824 3548 1 9 . 1 1 56 56 CYS N N 56 124.445 124.445 117.049 7.396 17824 3549 1 9 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.367 -0.379 17824 3550 1 9 . 1 1 56 56 CYS C C 56 178.290 178.290 177.480 0.810 17824 3551 1 9 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.088 2.890 17824 3552 1 9 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.158 3.494 17824 3553 1 9 . 1 1 56 56 CYS H H 56 8.676 8.676 8.287 0.389 17824 3554 1 9 . 1 1 57 57 GLN N N 57 117.736 117.736 121.376 -3.640 17824 3555 1 9 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.053 -0.161 17824 3556 1 9 . 1 1 57 57 GLN C C 57 177.428 177.428 177.497 -0.069 17824 3557 1 9 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.569 0.303 17824 3558 1 9 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.346 1.482 17824 3559 1 9 . 1 1 57 57 GLN H H 57 8.419 8.419 8.334 0.085 17824 3560 1 9 . 1 1 58 58 ALA N N 58 119.578 119.578 121.831 -2.253 17824 3561 1 9 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.148 0.129 17824 3562 1 9 . 1 1 58 58 ALA C C 58 178.087 178.087 179.142 -1.055 17824 3563 1 9 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.357 0.165 17824 3564 1 9 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.776 0.241 17824 3565 1 9 . 1 1 58 58 ALA H H 58 7.335 7.335 7.761 -0.426 17824 3566 1 9 . 1 1 59 59 ASN N N 59 116.209 116.209 118.184 -1.975 17824 3567 1 9 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.550 0.268 17824 3568 1 9 . 1 1 59 59 ASN C C 59 175.372 175.372 176.503 -1.131 17824 3569 1 9 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.328 -1.670 17824 3570 1 9 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.177 -0.068 17824 3571 1 9 . 1 1 59 59 ASN H H 59 7.617 7.617 8.385 -0.768 17824 3572 1 9 . 1 1 60 60 GLN N N 60 120.078 120.078 113.932 6.146 17824 3573 1 9 . 1 1 60 60 GLN HA H 60 4.212 4.212 4.001 0.211 17824 3574 1 9 . 1 1 60 60 GLN C C 60 176.218 176.218 174.486 1.732 17824 3575 1 9 . 1 1 60 60 GLN CA C 60 57.310 57.310 57.289 0.021 17824 3576 1 9 . 1 1 60 60 GLN CB C 60 28.650 28.650 25.715 2.935 17824 3577 1 9 . 1 1 60 60 GLN H H 60 8.116 8.116 8.586 -0.470 17824 3578 1 9 . 1 1 61 61 ALA N N 61 122.298 122.298 119.101 3.197 17824 3579 1 9 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.523 -0.205 17824 3580 1 9 . 1 1 61 61 ALA C C 61 177.964 177.964 178.009 -0.045 17824 3581 1 9 . 1 1 61 61 ALA CA C 61 53.440 53.440 51.479 1.961 17824 3582 1 9 . 1 1 61 61 ALA CB C 61 18.652 18.652 20.049 -1.397 17824 3583 1 9 . 1 1 61 61 ALA H H 61 8.345 8.345 7.663 0.682 17824 3584 1 9 . 1 1 62 62 SER N N 62 113.232 113.232 115.151 -1.919 17824 3585 1 9 . 1 1 62 62 SER HA H 62 4.454 4.454 4.101 0.353 17824 3586 1 9 . 1 1 62 62 SER C C 62 174.747 174.747 174.719 0.028 17824 3587 1 9 . 1 1 62 62 SER CA C 62 58.197 58.197 61.029 -2.832 17824 3588 1 9 . 1 1 62 62 SER CB C 62 63.906 63.906 63.536 0.370 17824 3589 1 9 . 1 1 62 62 SER H H 62 8.011 8.011 8.591 -0.580 17824 3590 1 9 . 1 1 63 63 ALA N N 63 125.573 125.573 119.558 6.015 17824 3591 1 9 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.407 -0.224 17824 3592 1 9 . 1 1 63 63 ALA C C 63 178.091 178.091 176.203 1.888 17824 3593 1 9 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.126 0.880 17824 3594 1 9 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.318 -0.562 17824 3595 1 9 . 1 1 63 63 ALA H H 63 8.323 8.323 8.215 0.108 17824 3596 1 9 . 1 1 64 64 THR N N 64 111.006 111.006 114.067 -3.061 17824 3597 1 9 . 1 1 64 64 THR HA H 64 4.495 4.495 4.691 -0.196 17824 3598 1 9 . 1 1 64 64 THR C C 64 175.346 175.346 173.511 1.835 17824 3599 1 9 . 1 1 64 64 THR CA C 64 61.903 61.903 61.527 0.376 17824 3600 1 9 . 1 1 64 64 THR CB C 64 69.903 69.903 72.039 -2.136 17824 3601 1 9 . 1 1 64 64 THR H H 64 8.071 8.071 7.872 0.199 17824 3602 1 9 . 1 1 65 65 SER N N 65 118.037 118.037 116.751 1.286 17824 3603 1 9 . 1 1 65 65 SER HA H 65 4.524 4.524 4.567 -0.043 17824 3604 1 9 . 1 1 65 65 SER C C 65 175.131 175.131 175.350 -0.219 17824 3605 1 9 . 1 1 65 65 SER CA C 65 59.795 59.795 59.846 -0.051 17824 3606 1 9 . 1 1 65 65 SER CB C 65 63.833 63.833 63.918 -0.085 17824 3607 1 9 . 1 1 65 65 SER H H 65 8.328 8.328 8.664 -0.336 17824 3608 1 9 . 1 1 66 66 GLU N N 66 121.505 121.505 121.426 0.079 17824 3609 1 9 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.100 0.214 17824 3610 1 9 . 1 1 66 66 GLU C C 66 176.394 176.394 175.788 0.606 17824 3611 1 9 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.521 -1.526 17824 3612 1 9 . 1 1 66 66 GLU CB C 66 30.310 30.310 29.871 0.439 17824 3613 1 9 . 1 1 66 66 GLU H H 66 8.368 8.368 8.705 -0.337 17824 3614 1 9 . 1 1 67 67 GLU N N 67 119.409 119.409 112.726 6.683 17824 3615 1 9 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.688 -0.397 17824 3616 1 9 . 1 1 67 67 GLU C C 67 175.079 175.079 174.938 0.141 17824 3617 1 9 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.339 2.142 17824 3618 1 9 . 1 1 67 67 GLU CB C 67 29.931 29.931 31.743 -1.812 17824 3619 1 9 . 1 1 67 67 GLU H H 67 8.074 8.074 7.835 0.239 17824 3620 1 9 . 1 1 68 68 CYS N N 68 126.937 126.937 121.979 4.958 17824 3621 1 9 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.662 -0.374 17824 3622 1 9 . 1 1 68 68 CYS C C 68 174.423 174.423 174.506 -0.083 17824 3623 1 9 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.229 -0.420 17824 3624 1 9 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.428 0.242 17824 3625 1 9 . 1 1 68 68 CYS H H 68 8.340 8.340 8.670 -0.330 17824 3626 1 9 . 1 1 69 69 THR N N 69 116.442 116.442 110.545 5.897 17824 3627 1 9 . 1 1 69 69 THR HA H 69 4.891 4.891 5.003 -0.112 17824 3628 1 9 . 1 1 69 69 THR C C 69 175.561 175.561 172.985 2.576 17824 3629 1 9 . 1 1 69 69 THR CA C 69 60.817 60.817 60.902 -0.085 17824 3630 1 9 . 1 1 69 69 THR CB C 69 71.654 71.654 71.981 -0.327 17824 3631 1 9 . 1 1 69 69 THR H H 69 7.497 7.497 7.909 -0.412 17824 3632 1 9 . 1 1 70 70 VAL N N 70 123.637 123.637 123.614 0.023 17824 3633 1 9 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.690 -0.355 17824 3634 1 9 . 1 1 70 70 VAL C C 70 174.368 174.368 172.626 1.742 17824 3635 1 9 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.298 2.644 17824 3636 1 9 . 1 1 70 70 VAL CB C 70 33.897 33.897 35.761 -1.864 17824 3637 1 9 . 1 1 70 70 VAL H H 70 8.862 8.862 8.326 0.536 17824 3638 1 9 . 1 1 71 71 ALA N N 71 128.540 128.540 128.451 0.089 17824 3639 1 9 . 1 1 71 71 ALA HA H 71 5.286 5.286 5.140 0.146 17824 3640 1 9 . 1 1 71 71 ALA C C 71 174.520 174.520 175.636 -1.116 17824 3641 1 9 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.241 0.531 17824 3642 1 9 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.962 1.012 17824 3643 1 9 . 1 1 71 71 ALA H H 71 9.247 9.247 8.979 0.268 17824 3644 1 9 . 1 1 72 72 TRP N N 72 120.167 120.167 122.182 -2.015 17824 3645 1 9 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.269 0.151 17824 3646 1 9 . 1 1 72 72 TRP C C 72 177.182 177.182 176.926 0.256 17824 3647 1 9 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.353 1.410 17824 3648 1 9 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.936 0.694 17824 3649 1 9 . 1 1 72 72 TRP H H 72 9.065 9.065 8.643 0.422 17824 3650 1 9 . 1 1 73 73 GLY N N 73 110.755 110.755 108.501 2.254 17824 3651 1 9 . 1 1 73 73 GLY C C 73 177.914 177.914 175.109 2.805 17824 3652 1 9 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.293 0.874 17824 3653 1 9 . 1 1 73 73 GLY H H 73 9.128 9.128 9.525 -0.397 17824 3654 1 9 . 1 1 74 74 VAL N N 74 122.747 122.747 125.208 -2.461 17824 3655 1 9 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.903 -0.067 17824 3656 1 9 . 1 1 74 74 VAL C C 74 176.014 176.014 176.778 -0.764 17824 3657 1 9 . 1 1 74 74 VAL CA C 74 64.993 64.993 64.895 0.098 17824 3658 1 9 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.933 -0.214 17824 3659 1 9 . 1 1 74 74 VAL H H 74 8.299 8.299 8.295 0.004 17824 3660 1 9 . 1 1 75 75 CYS N N 75 116.720 116.720 115.609 1.111 17824 3661 1 9 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.470 -0.175 17824 3662 1 9 . 1 1 75 75 CYS C C 75 174.359 174.359 175.623 -1.264 17824 3663 1 9 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.761 0.456 17824 3664 1 9 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.309 4.392 17824 3665 1 9 . 1 1 75 75 CYS H H 75 7.567 7.567 8.112 -0.545 17824 3666 1 9 . 1 1 76 76 ASN N N 76 114.522 114.522 117.900 -3.378 17824 3667 1 9 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.294 0.140 17824 3668 1 9 . 1 1 76 76 ASN C C 76 173.726 173.726 173.427 0.299 17824 3669 1 9 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.180 1.472 17824 3670 1 9 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.521 0.427 17824 3671 1 9 . 1 1 76 76 ASN H H 76 8.060 8.060 8.147 -0.087 17824 3672 1 9 . 1 1 77 77 HIS N N 77 117.754 117.754 116.646 1.108 17824 3673 1 9 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.757 -0.040 17824 3674 1 9 . 1 1 77 77 HIS C C 77 172.650 172.650 173.315 -0.665 17824 3675 1 9 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.578 3.248 17824 3676 1 9 . 1 1 77 77 HIS CB C 77 32.889 32.889 33.687 -0.798 17824 3677 1 9 . 1 1 77 77 HIS H H 77 7.797 7.797 7.655 0.142 17824 3678 1 9 . 1 1 78 78 ALA N N 78 122.889 122.889 122.966 -0.077 17824 3679 1 9 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.481 -0.532 17824 3680 1 9 . 1 1 78 78 ALA C C 78 174.873 174.873 175.095 -0.222 17824 3681 1 9 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.605 -2.076 17824 3682 1 9 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.865 -1.788 17824 3683 1 9 . 1 1 78 78 ALA H H 78 7.811 7.811 8.353 -0.542 17824 3684 1 9 . 1 1 79 79 PHE N N 79 113.618 113.618 120.086 -6.468 17824 3685 1 9 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.755 -0.056 17824 3686 1 9 . 1 1 79 79 PHE C C 79 176.138 176.138 174.656 1.482 17824 3687 1 9 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.910 -1.561 17824 3688 1 9 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.392 2.194 17824 3689 1 9 . 1 1 79 79 PHE H H 79 8.377 8.377 8.898 -0.521 17824 3690 1 9 . 1 1 80 80 HIS N N 80 118.823 118.823 120.397 -1.574 17824 3691 1 9 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.868 -0.039 17824 3692 1 9 . 1 1 80 80 HIS C C 80 177.268 177.268 176.517 0.751 17824 3693 1 9 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.110 4.839 17824 3694 1 9 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.727 -0.992 17824 3695 1 9 . 1 1 80 80 HIS H H 80 8.429 8.429 8.378 0.051 17824 3696 1 9 . 1 1 81 81 PHE N N 81 129.040 129.040 126.478 2.562 17824 3697 1 9 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.298 0.041 17824 3698 1 9 . 1 1 81 81 PHE C C 81 178.911 178.911 176.853 2.058 17824 3699 1 9 . 1 1 81 81 PHE CA C 81 61.838 61.838 61.970 -0.132 17824 3700 1 9 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.455 -0.399 17824 3701 1 9 . 1 1 81 81 PHE H H 81 9.881 9.881 8.795 1.086 17824 3702 1 9 . 1 1 82 82 HIS N N 82 120.611 120.611 118.881 1.730 17824 3703 1 9 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.065 0.221 17824 3704 1 9 . 1 1 82 82 HIS C C 82 177.694 177.694 177.364 0.330 17824 3705 1 9 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.883 -0.979 17824 3706 1 9 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.892 2.941 17824 3707 1 9 . 1 1 82 82 HIS H H 82 10.457 10.457 8.431 2.026 17824 3708 1 9 . 1 1 83 83 CYS N N 83 117.628 117.628 117.578 0.050 17824 3709 1 9 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.094 0.060 17824 3710 1 9 . 1 1 83 83 CYS C C 83 177.768 177.768 177.039 0.729 17824 3711 1 9 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.191 0.776 17824 3712 1 9 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.270 2.634 17824 3713 1 9 . 1 1 83 83 CYS H H 83 6.933 6.933 8.369 -1.436 17824 3714 1 9 . 1 1 84 84 ILE N N 84 119.139 119.139 120.678 -1.539 17824 3715 1 9 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.473 0.369 17824 3716 1 9 . 1 1 84 84 ILE C C 84 175.705 175.705 177.240 -1.535 17824 3717 1 9 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.324 -3.447 17824 3718 1 9 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.605 0.472 17824 3719 1 9 . 1 1 84 84 ILE H H 84 8.290 8.290 8.843 -0.553 17824 3720 1 9 . 1 1 85 85 SER N N 85 118.224 118.224 116.288 1.936 17824 3721 1 9 . 1 1 85 85 SER HA H 85 3.995 3.995 4.089 -0.094 17824 3722 1 9 . 1 1 85 85 SER C C 85 176.097 176.097 176.781 -0.684 17824 3723 1 9 . 1 1 85 85 SER CA C 85 62.841 62.841 61.747 1.094 17824 3724 1 9 . 1 1 85 85 SER CB C 85 62.009 62.009 62.635 -0.626 17824 3725 1 9 . 1 1 85 85 SER H H 85 8.157 8.157 8.236 -0.079 17824 3726 1 9 . 1 1 86 86 ARG N N 86 120.496 120.496 120.843 -0.347 17824 3727 1 9 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.042 -0.018 17824 3728 1 9 . 1 1 86 86 ARG C C 86 179.382 179.382 178.525 0.857 17824 3729 1 9 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.486 1.379 17824 3730 1 9 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.629 0.231 17824 3731 1 9 . 1 1 86 86 ARG H H 86 7.174 7.174 7.670 -0.496 17824 3732 1 9 . 1 1 87 87 TRP N N 87 123.951 123.951 121.758 2.193 17824 3733 1 9 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.218 -0.059 17824 3734 1 9 . 1 1 87 87 TRP C C 87 177.572 177.572 178.107 -0.535 17824 3735 1 9 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.274 0.650 17824 3736 1 9 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.449 -0.203 17824 3737 1 9 . 1 1 87 87 TRP H H 87 7.981 7.981 8.047 -0.066 17824 3738 1 9 . 1 1 88 88 LEU N N 88 116.707 116.707 117.149 -0.442 17824 3739 1 9 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.396 0.367 17824 3740 1 9 . 1 1 88 88 LEU C C 88 178.008 178.008 178.788 -0.780 17824 3741 1 9 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.533 -0.805 17824 3742 1 9 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.790 0.406 17824 3743 1 9 . 1 1 88 88 LEU H H 88 8.246 8.246 8.226 0.020 17824 3744 1 9 . 1 1 89 89 LYS N N 89 117.240 117.240 117.849 -0.609 17824 3745 1 9 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.015 0.066 17824 3746 1 9 . 1 1 89 89 LYS C C 89 178.385 178.385 177.694 0.691 17824 3747 1 9 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.622 0.289 17824 3748 1 9 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.591 -0.287 17824 3749 1 9 . 1 1 89 89 LYS H H 89 7.309 7.309 7.716 -0.407 17824 3750 1 9 . 1 1 90 90 THR N N 90 106.446 106.446 110.558 -4.112 17824 3751 1 9 . 1 1 90 90 THR HA H 90 4.383 4.383 4.190 0.193 17824 3752 1 9 . 1 1 90 90 THR C C 90 173.919 173.919 173.860 0.059 17824 3753 1 9 . 1 1 90 90 THR CA C 90 62.069 62.069 62.201 -0.132 17824 3754 1 9 . 1 1 90 90 THR CB C 90 70.133 70.133 69.923 0.210 17824 3755 1 9 . 1 1 90 90 THR H H 90 7.452 7.452 7.318 0.134 17824 3756 1 9 . 1 1 91 91 ARG N N 91 121.616 121.616 119.505 2.111 17824 3757 1 9 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.415 -0.010 17824 3758 1 9 . 1 1 91 91 ARG C C 91 174.754 174.754 174.386 0.368 17824 3759 1 9 . 1 1 91 91 ARG CA C 91 54.833 54.833 54.099 0.734 17824 3760 1 9 . 1 1 91 91 ARG CB C 91 33.885 33.885 31.990 1.895 17824 3761 1 9 . 1 1 91 91 ARG H H 91 7.426 7.426 7.759 -0.333 17824 3762 1 9 . 1 1 92 92 GLN N N 92 118.161 118.161 119.731 -1.570 17824 3763 1 9 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.495 0.213 17824 3764 1 9 . 1 1 92 92 GLN C C 92 176.437 176.437 174.549 1.888 17824 3765 1 9 . 1 1 92 92 GLN CA C 92 55.783 55.783 55.299 0.484 17824 3766 1 9 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.603 -0.645 17824 3767 1 9 . 1 1 92 92 GLN H H 92 8.526 8.526 8.643 -0.117 17824 3768 1 9 . 1 1 93 93 VAL N N 93 109.557 109.557 112.365 -2.808 17824 3769 1 9 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.936 0.129 17824 3770 1 9 . 1 1 93 93 VAL C C 93 174.806 174.806 175.466 -0.660 17824 3771 1 9 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.299 -0.951 17824 3772 1 9 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.807 0.500 17824 3773 1 9 . 1 1 93 93 VAL H H 93 7.083 7.083 7.269 -0.186 17824 3774 1 9 . 1 1 94 94 CYS N N 94 123.889 123.889 122.355 1.534 17824 3775 1 9 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.532 -0.028 17824 3776 1 9 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.177 -4.317 17824 3777 1 9 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.823 3.942 17824 3778 1 9 . 1 1 94 94 CYS H H 94 9.020 9.020 9.239 -0.219 17824 3779 1 9 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.138 -0.058 17824 3780 1 9 . 1 1 95 95 PRO C C 95 177.037 177.037 176.611 0.426 17824 3781 1 9 . 1 1 95 95 PRO CA C 95 63.998 63.998 65.115 -1.117 17824 3782 1 9 . 1 1 95 95 PRO CB C 95 31.662 31.662 31.210 0.452 17824 3783 1 9 . 1 1 96 96 LEU N N 96 118.497 118.497 116.573 1.924 17824 3784 1 9 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.197 0.119 17824 3785 1 9 . 1 1 96 96 LEU C C 96 177.797 177.797 178.337 -0.540 17824 3786 1 9 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.828 -1.016 17824 3787 1 9 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.348 1.726 17824 3788 1 9 . 1 1 96 96 LEU H H 96 8.798 8.798 7.730 1.068 17824 3789 1 9 . 1 1 97 97 ASP N N 97 114.958 114.958 118.929 -3.971 17824 3790 1 9 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.608 0.344 17824 3791 1 9 . 1 1 97 97 ASP C C 97 175.946 175.946 176.808 -0.862 17824 3792 1 9 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.489 -0.777 17824 3793 1 9 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.750 2.433 17824 3794 1 9 . 1 1 97 97 ASP H H 97 7.396 7.396 8.172 -0.776 17824 3795 1 9 . 1 1 98 98 ASN N N 98 115.407 115.407 116.042 -0.635 17824 3796 1 9 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.529 -0.105 17824 3797 1 9 . 1 1 98 98 ASN C C 98 173.934 173.934 173.925 0.009 17824 3798 1 9 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.236 1.066 17824 3799 1 9 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.897 1.099 17824 3800 1 9 . 1 1 98 98 ASN H H 98 8.332 8.332 7.912 0.420 17824 3801 1 9 . 1 1 99 99 ARG N N 99 119.005 119.005 117.960 1.045 17824 3802 1 9 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.595 -0.123 17824 3803 1 9 . 1 1 99 99 ARG C C 99 176.631 176.631 175.223 1.408 17824 3804 1 9 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.493 1.328 17824 3805 1 9 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.023 -1.053 17824 3806 1 9 . 1 1 99 99 ARG H H 99 8.825 8.825 8.270 0.555 17824 3807 1 9 . 1 1 100 100 GLU N N 100 122.676 122.676 122.601 0.075 17824 3808 1 9 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.345 -0.195 17824 3809 1 9 . 1 1 100 100 GLU C C 100 176.647 176.647 175.992 0.655 17824 3810 1 9 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.297 1.051 17824 3811 1 9 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.078 -0.344 17824 3812 1 9 . 1 1 100 100 GLU H H 100 8.869 8.869 8.734 0.135 17824 3813 1 9 . 1 1 101 101 TRP N N 101 126.288 126.288 130.094 -3.806 17824 3814 1 9 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.704 -0.101 17824 3815 1 9 . 1 1 101 101 TRP C C 101 175.786 175.786 175.437 0.349 17824 3816 1 9 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.625 0.310 17824 3817 1 9 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.062 -0.304 17824 3818 1 9 . 1 1 101 101 TRP H H 101 8.437 8.437 7.996 0.441 17824 3819 1 9 . 1 1 102 102 GLU N N 102 127.912 127.912 125.578 2.334 17824 3820 1 9 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.342 -0.070 17824 3821 1 9 . 1 1 102 102 GLU C C 102 174.791 174.791 174.163 0.628 17824 3822 1 9 . 1 1 102 102 GLU CA C 102 54.724 54.724 53.971 0.753 17824 3823 1 9 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.410 -0.155 17824 3824 1 9 . 1 1 102 102 GLU H H 102 7.319 7.319 7.463 -0.144 17824 3825 1 9 . 1 1 103 103 PHE N N 103 122.445 122.445 122.891 -0.446 17824 3826 1 9 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.875 -0.507 17824 3827 1 9 . 1 1 103 103 PHE C C 103 176.419 176.419 176.359 0.060 17824 3828 1 9 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.302 1.768 17824 3829 1 9 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.667 0.207 17824 3830 1 9 . 1 1 103 103 PHE H H 103 8.827 8.827 8.796 0.031 17824 3831 1 9 . 1 1 104 104 GLN N N 104 122.896 122.896 127.224 -4.328 17824 3832 1 9 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.317 -0.031 17824 3833 1 9 . 1 1 104 104 GLN C C 104 175.487 175.487 175.254 0.233 17824 3834 1 9 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.697 -1.427 17824 3835 1 9 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.009 0.536 17824 3836 1 9 . 1 1 104 104 GLN H H 104 9.119 9.119 8.765 0.354 17824 3837 1 9 . 1 1 105 105 LYS N N 105 121.917 121.917 118.192 3.725 17824 3838 1 9 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.656 -0.220 17824 3839 1 9 . 1 1 105 105 LYS C C 105 175.219 175.219 175.308 -0.089 17824 3840 1 9 . 1 1 105 105 LYS CA C 105 56.282 56.282 55.900 0.382 17824 3841 1 9 . 1 1 105 105 LYS CB C 105 33.804 33.804 34.148 -0.344 17824 3842 1 9 . 1 1 105 105 LYS H H 105 8.308 8.308 7.812 0.496 17824 3843 1 9 . 1 1 106 106 TYR N N 106 121.451 121.451 122.829 -1.378 17824 3844 1 9 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.602 0.212 17824 3845 1 9 . 1 1 106 106 TYR C C 106 176.017 176.017 174.540 1.477 17824 3846 1 9 . 1 1 106 106 TYR CA C 106 57.828 57.828 57.327 0.501 17824 3847 1 9 . 1 1 106 106 TYR CB C 106 39.606 39.606 38.413 1.194 17824 3848 1 9 . 1 1 106 106 TYR H H 106 8.431 8.431 8.752 -0.321 17824 3849 1 9 . 1 1 107 107 GLY N N 107 110.965 110.965 106.186 4.779 17824 3850 1 9 . 1 1 107 107 GLY C C 107 172.723 172.723 171.914 0.809 17824 3851 1 9 . 1 1 107 107 GLY CA C 107 45.282 45.282 43.874 1.408 17824 3852 1 9 . 1 1 107 107 GLY H H 107 8.395 8.395 7.079 1.316 17824 3853 1 10 . 1 1 35 35 TRP N N 35 118.681 118.681 123.761 -5.080 17824 3854 1 10 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.842 -0.199 17824 3855 1 10 . 1 1 35 35 TRP C C 35 175.833 175.833 176.270 -0.437 17824 3856 1 10 . 1 1 35 35 TRP CA C 35 56.900 56.900 57.029 -0.129 17824 3857 1 10 . 1 1 35 35 TRP CB C 35 29.375 29.375 30.377 -1.002 17824 3858 1 10 . 1 1 35 35 TRP H H 35 7.831 7.831 8.427 -0.596 17824 3859 1 10 . 1 1 36 36 ASP N N 36 121.178 121.178 122.685 -1.507 17824 3860 1 10 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.725 -0.151 17824 3861 1 10 . 1 1 36 36 ASP C C 36 175.821 175.821 176.579 -0.758 17824 3862 1 10 . 1 1 36 36 ASP CA C 36 54.622 54.622 52.887 1.735 17824 3863 1 10 . 1 1 36 36 ASP CB C 36 41.150 41.150 43.849 -2.699 17824 3864 1 10 . 1 1 36 36 ASP H H 36 8.111 8.111 8.304 -0.193 17824 3865 1 10 . 1 1 37 37 ILE N N 37 120.177 120.177 116.654 3.523 17824 3866 1 10 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.362 -0.206 17824 3867 1 10 . 1 1 37 37 ILE C C 37 175.817 175.817 175.393 0.424 17824 3868 1 10 . 1 1 37 37 ILE CA C 37 61.638 61.638 61.133 0.505 17824 3869 1 10 . 1 1 37 37 ILE CB C 37 39.034 39.034 37.939 1.095 17824 3870 1 10 . 1 1 37 37 ILE H H 37 7.820 7.820 8.157 -0.337 17824 3871 1 10 . 1 1 38 38 VAL N N 38 124.844 124.844 122.459 2.385 17824 3872 1 10 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.250 -0.090 17824 3873 1 10 . 1 1 38 38 VAL C C 38 176.102 176.102 176.403 -0.301 17824 3874 1 10 . 1 1 38 38 VAL CA C 38 62.055 62.055 61.474 0.581 17824 3875 1 10 . 1 1 38 38 VAL CB C 38 32.764 32.764 33.886 -1.122 17824 3876 1 10 . 1 1 38 38 VAL H H 38 8.203 8.203 8.369 -0.166 17824 3877 1 10 . 1 1 39 39 VAL N N 39 123.813 123.813 126.427 -2.614 17824 3878 1 10 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.785 0.353 17824 3879 1 10 . 1 1 39 39 VAL C C 39 174.919 174.919 176.291 -1.372 17824 3880 1 10 . 1 1 39 39 VAL CA C 39 62.605 62.605 64.815 -2.210 17824 3881 1 10 . 1 1 39 39 VAL CB C 39 32.825 32.825 32.084 0.741 17824 3882 1 10 . 1 1 39 39 VAL H H 39 8.163 8.163 8.904 -0.741 17824 3883 1 10 . 1 1 40 40 ASP N N 40 122.074 122.074 116.726 5.348 17824 3884 1 10 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.556 -0.088 17824 3885 1 10 . 1 1 40 40 ASP C C 40 174.408 174.408 175.272 -0.864 17824 3886 1 10 . 1 1 40 40 ASP CA C 40 54.389 54.389 54.911 -0.522 17824 3887 1 10 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.452 0.703 17824 3888 1 10 . 1 1 40 40 ASP H H 40 8.154 8.154 8.386 -0.232 17824 3889 1 10 . 1 1 41 41 ASN N N 41 115.983 115.983 117.454 -1.471 17824 3890 1 10 . 1 1 41 41 ASN HA H 41 4.762 4.762 5.015 -0.253 17824 3891 1 10 . 1 1 41 41 ASN C C 41 174.643 174.643 174.032 0.611 17824 3892 1 10 . 1 1 41 41 ASN CA C 41 52.326 52.326 51.976 0.350 17824 3893 1 10 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.280 -0.896 17824 3894 1 10 . 1 1 41 41 ASN H H 41 7.901 7.901 7.634 0.267 17824 3895 1 10 . 1 1 42 42 CYS N N 42 123.612 123.612 122.970 0.642 17824 3896 1 10 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.617 -0.331 17824 3897 1 10 . 1 1 42 42 CYS C C 42 176.756 176.756 175.644 1.112 17824 3898 1 10 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.657 0.143 17824 3899 1 10 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.159 4.614 17824 3900 1 10 . 1 1 42 42 CYS H H 42 8.503 8.503 8.918 -0.415 17824 3901 1 10 . 1 1 43 43 ALA N N 43 132.181 132.181 132.266 -0.085 17824 3902 1 10 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.280 -0.115 17824 3903 1 10 . 1 1 43 43 ALA C C 43 177.706 177.706 178.770 -1.064 17824 3904 1 10 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.525 -0.882 17824 3905 1 10 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.878 0.533 17824 3906 1 10 . 1 1 43 43 ALA H H 43 9.493 9.493 9.016 0.477 17824 3907 1 10 . 1 1 44 44 ILE N N 44 116.079 116.079 117.577 -1.498 17824 3908 1 10 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.693 0.103 17824 3909 1 10 . 1 1 44 44 ILE C C 44 176.208 176.208 176.256 -0.048 17824 3910 1 10 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.893 0.639 17824 3911 1 10 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.974 1.118 17824 3912 1 10 . 1 1 44 44 ILE H H 44 7.956 7.956 7.785 0.171 17824 3913 1 10 . 1 1 45 45 CYS N N 45 116.456 116.456 112.486 3.970 17824 3914 1 10 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.601 0.423 17824 3915 1 10 . 1 1 45 45 CYS C C 45 175.747 175.747 174.887 0.860 17824 3916 1 10 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.554 1.627 17824 3917 1 10 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.723 3.155 17824 3918 1 10 . 1 1 45 45 CYS H H 45 7.818 7.818 7.602 0.216 17824 3919 1 10 . 1 1 46 46 ARG N N 46 117.125 117.125 120.082 -2.957 17824 3920 1 10 . 1 1 46 46 ARG HA H 46 4.005 4.005 3.961 0.044 17824 3921 1 10 . 1 1 46 46 ARG C C 46 175.539 175.539 174.208 1.331 17824 3922 1 10 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.653 3.131 17824 3923 1 10 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.788 -1.194 17824 3924 1 10 . 1 1 46 46 ARG H H 46 8.511 8.511 8.586 -0.075 17824 3925 1 10 . 1 1 47 47 ASN N N 47 121.377 121.377 116.070 5.307 17824 3926 1 10 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.951 0.061 17824 3927 1 10 . 1 1 47 47 ASN C C 47 175.537 175.537 173.649 1.888 17824 3928 1 10 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.925 -2.903 17824 3929 1 10 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.344 -2.329 17824 3930 1 10 . 1 1 47 47 ASN H H 47 8.720 8.720 7.497 1.223 17824 3931 1 10 . 1 1 48 48 HIS N N 48 122.235 122.235 120.425 1.810 17824 3932 1 10 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.741 -0.242 17824 3933 1 10 . 1 1 48 48 HIS C C 48 177.722 177.722 175.541 2.181 17824 3934 1 10 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.259 1.613 17824 3935 1 10 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.085 -0.365 17824 3936 1 10 . 1 1 48 48 HIS H H 48 9.226 9.226 8.714 0.512 17824 3937 1 10 . 1 1 49 49 ILE N N 49 126.643 126.643 125.756 0.887 17824 3938 1 10 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.677 -0.277 17824 3939 1 10 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.133 -0.645 17824 3940 1 10 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.601 0.370 17824 3941 1 10 . 1 1 49 49 ILE H H 49 7.991 7.991 7.879 0.112 17824 3942 1 10 . 1 1 50 50 MET HA H 50 4.268 4.268 4.270 -0.002 17824 3943 1 10 . 1 1 50 50 MET C C 50 177.236 177.236 174.589 2.647 17824 3944 1 10 . 1 1 50 50 MET CA C 50 54.795 54.795 56.684 -1.889 17824 3945 1 10 . 1 1 50 50 MET CB C 50 31.357 31.357 31.292 0.065 17824 3946 1 10 . 1 1 51 51 ASP N N 51 121.143 121.143 117.810 3.333 17824 3947 1 10 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.480 -0.467 17824 3948 1 10 . 1 1 51 51 ASP C C 51 176.770 176.770 175.292 1.478 17824 3949 1 10 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.146 -2.043 17824 3950 1 10 . 1 1 51 51 ASP CB C 51 43.285 43.285 44.111 -0.826 17824 3951 1 10 . 1 1 51 51 ASP H H 51 7.854 7.854 7.947 -0.093 17824 3952 1 10 . 1 1 52 52 LEU N N 52 119.501 119.501 120.954 -1.453 17824 3953 1 10 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.289 0.057 17824 3954 1 10 . 1 1 52 52 LEU C C 52 177.049 177.049 176.332 0.717 17824 3955 1 10 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.761 -0.330 17824 3956 1 10 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.775 0.580 17824 3957 1 10 . 1 1 52 52 LEU H H 52 8.484 8.484 8.562 -0.078 17824 3958 1 10 . 1 1 53 53 CYS N N 53 120.790 120.790 118.603 2.187 17824 3959 1 10 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.541 -0.695 17824 3960 1 10 . 1 1 53 53 CYS C C 53 175.247 175.247 176.451 -1.204 17824 3961 1 10 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.177 -0.346 17824 3962 1 10 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.492 3.152 17824 3963 1 10 . 1 1 53 53 CYS H H 53 8.151 8.151 8.080 0.071 17824 3964 1 10 . 1 1 54 54 ILE N N 54 116.790 116.790 120.209 -3.419 17824 3965 1 10 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.701 0.234 17824 3966 1 10 . 1 1 54 54 ILE C C 54 176.615 176.615 177.862 -1.247 17824 3967 1 10 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.094 -1.188 17824 3968 1 10 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.157 1.877 17824 3969 1 10 . 1 1 54 54 ILE H H 54 6.626 6.626 8.673 -2.047 17824 3970 1 10 . 1 1 55 55 GLU N N 55 123.451 123.451 119.870 3.581 17824 3971 1 10 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.152 0.002 17824 3972 1 10 . 1 1 55 55 GLU C C 55 179.075 179.075 178.835 0.240 17824 3973 1 10 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.922 0.859 17824 3974 1 10 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.307 1.157 17824 3975 1 10 . 1 1 55 55 GLU H H 55 7.642 7.642 8.569 -0.927 17824 3976 1 10 . 1 1 56 56 CYS N N 56 124.445 124.445 116.990 7.455 17824 3977 1 10 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.090 -0.102 17824 3978 1 10 . 1 1 56 56 CYS C C 56 178.290 178.290 177.006 1.284 17824 3979 1 10 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.605 2.373 17824 3980 1 10 . 1 1 56 56 CYS CB C 56 29.652 29.652 25.985 3.667 17824 3981 1 10 . 1 1 56 56 CYS H H 56 8.676 8.676 8.302 0.374 17824 3982 1 10 . 1 1 57 57 GLN N N 57 117.736 117.736 120.273 -2.537 17824 3983 1 10 . 1 1 57 57 GLN HA H 57 3.892 3.892 3.967 -0.075 17824 3984 1 10 . 1 1 57 57 GLN C C 57 177.428 177.428 177.985 -0.557 17824 3985 1 10 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.689 0.183 17824 3986 1 10 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.878 0.950 17824 3987 1 10 . 1 1 57 57 GLN H H 57 8.419 8.419 7.950 0.469 17824 3988 1 10 . 1 1 58 58 ALA N N 58 119.578 119.578 121.909 -2.331 17824 3989 1 10 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.123 0.154 17824 3990 1 10 . 1 1 58 58 ALA C C 58 178.087 178.087 179.108 -1.021 17824 3991 1 10 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.889 -0.367 17824 3992 1 10 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.086 0.931 17824 3993 1 10 . 1 1 58 58 ALA H H 58 7.335 7.335 7.650 -0.315 17824 3994 1 10 . 1 1 59 59 ASN N N 59 116.209 116.209 116.367 -0.158 17824 3995 1 10 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.528 0.290 17824 3996 1 10 . 1 1 59 59 ASN C C 59 175.372 175.372 174.997 0.375 17824 3997 1 10 . 1 1 59 59 ASN CA C 59 52.658 52.658 55.235 -2.577 17824 3998 1 10 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.542 -0.433 17824 3999 1 10 . 1 1 59 59 ASN H H 59 7.617 7.617 8.255 -0.638 17824 4000 1 10 . 1 1 60 60 GLN N N 60 120.078 120.078 116.130 3.948 17824 4001 1 10 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.993 0.219 17824 4002 1 10 . 1 1 60 60 GLN C C 60 176.218 176.218 173.673 2.545 17824 4003 1 10 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.147 1.163 17824 4004 1 10 . 1 1 60 60 GLN CB C 60 28.650 28.650 27.563 1.087 17824 4005 1 10 . 1 1 60 60 GLN H H 60 8.116 8.116 7.818 0.298 17824 4006 1 10 . 1 1 61 61 ALA N N 61 122.298 122.298 128.926 -6.628 17824 4007 1 10 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.513 -0.195 17824 4008 1 10 . 1 1 61 61 ALA C C 61 177.964 177.964 176.098 1.866 17824 4009 1 10 . 1 1 61 61 ALA CA C 61 53.440 53.440 51.183 2.257 17824 4010 1 10 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.433 -0.781 17824 4011 1 10 . 1 1 61 61 ALA H H 61 8.345 8.345 8.407 -0.062 17824 4012 1 10 . 1 1 62 62 SER N N 62 113.232 113.232 119.598 -6.366 17824 4013 1 10 . 1 1 62 62 SER HA H 62 4.454 4.454 4.572 -0.118 17824 4014 1 10 . 1 1 62 62 SER C C 62 174.747 174.747 174.014 0.733 17824 4015 1 10 . 1 1 62 62 SER CA C 62 58.197 58.197 58.573 -0.376 17824 4016 1 10 . 1 1 62 62 SER CB C 62 63.906 63.906 61.786 2.120 17824 4017 1 10 . 1 1 62 62 SER H H 62 8.011 8.011 8.228 -0.217 17824 4018 1 10 . 1 1 63 63 ALA N N 63 125.573 125.573 128.791 -3.218 17824 4019 1 10 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.494 -0.311 17824 4020 1 10 . 1 1 63 63 ALA C C 63 178.091 178.091 176.099 1.992 17824 4021 1 10 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.986 0.020 17824 4022 1 10 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.744 -0.988 17824 4023 1 10 . 1 1 63 63 ALA H H 63 8.323 8.323 7.698 0.625 17824 4024 1 10 . 1 1 64 64 THR N N 64 111.006 111.006 116.352 -5.346 17824 4025 1 10 . 1 1 64 64 THR HA H 64 4.495 4.495 4.623 -0.128 17824 4026 1 10 . 1 1 64 64 THR C C 64 175.346 175.346 173.755 1.591 17824 4027 1 10 . 1 1 64 64 THR CA C 64 61.903 61.903 62.299 -0.396 17824 4028 1 10 . 1 1 64 64 THR CB C 64 69.903 69.903 71.691 -1.788 17824 4029 1 10 . 1 1 64 64 THR H H 64 8.071 8.071 8.100 -0.029 17824 4030 1 10 . 1 1 65 65 SER N N 65 118.037 118.037 119.847 -1.810 17824 4031 1 10 . 1 1 65 65 SER HA H 65 4.524 4.524 4.505 0.019 17824 4032 1 10 . 1 1 65 65 SER C C 65 175.131 175.131 175.124 0.007 17824 4033 1 10 . 1 1 65 65 SER CA C 65 59.795 59.795 59.076 0.719 17824 4034 1 10 . 1 1 65 65 SER CB C 65 63.833 63.833 63.899 -0.066 17824 4035 1 10 . 1 1 65 65 SER H H 65 8.328 8.328 8.671 -0.343 17824 4036 1 10 . 1 1 66 66 GLU N N 66 121.505 121.505 120.773 0.732 17824 4037 1 10 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.149 0.165 17824 4038 1 10 . 1 1 66 66 GLU C C 66 176.394 176.394 176.016 0.378 17824 4039 1 10 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.906 -1.911 17824 4040 1 10 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.059 0.251 17824 4041 1 10 . 1 1 66 66 GLU H H 66 8.368 8.368 8.380 -0.012 17824 4042 1 10 . 1 1 67 67 GLU N N 67 119.409 119.409 112.974 6.435 17824 4043 1 10 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.650 -0.359 17824 4044 1 10 . 1 1 67 67 GLU C C 67 175.079 175.079 174.913 0.166 17824 4045 1 10 . 1 1 67 67 GLU CA C 67 56.480 56.480 55.146 1.334 17824 4046 1 10 . 1 1 67 67 GLU CB C 67 29.931 29.931 31.407 -1.476 17824 4047 1 10 . 1 1 67 67 GLU H H 67 8.074 8.074 7.860 0.214 17824 4048 1 10 . 1 1 68 68 CYS N N 68 126.937 126.937 123.361 3.576 17824 4049 1 10 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.388 -0.100 17824 4050 1 10 . 1 1 68 68 CYS C C 68 174.423 174.423 174.171 0.252 17824 4051 1 10 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.545 -0.736 17824 4052 1 10 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.406 0.264 17824 4053 1 10 . 1 1 68 68 CYS H H 68 8.340 8.340 8.612 -0.272 17824 4054 1 10 . 1 1 69 69 THR N N 69 116.442 116.442 110.225 6.217 17824 4055 1 10 . 1 1 69 69 THR HA H 69 4.891 4.891 4.638 0.253 17824 4056 1 10 . 1 1 69 69 THR C C 69 175.561 175.561 173.175 2.386 17824 4057 1 10 . 1 1 69 69 THR CA C 69 60.817 60.817 60.370 0.447 17824 4058 1 10 . 1 1 69 69 THR CB C 69 71.654 71.654 71.949 -0.295 17824 4059 1 10 . 1 1 69 69 THR H H 69 7.497 7.497 7.943 -0.446 17824 4060 1 10 . 1 1 70 70 VAL N N 70 123.637 123.637 122.449 1.188 17824 4061 1 10 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.689 -0.354 17824 4062 1 10 . 1 1 70 70 VAL C C 70 174.368 174.368 172.879 1.489 17824 4063 1 10 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.800 2.142 17824 4064 1 10 . 1 1 70 70 VAL CB C 70 33.897 33.897 36.010 -2.112 17824 4065 1 10 . 1 1 70 70 VAL H H 70 8.862 8.862 8.590 0.272 17824 4066 1 10 . 1 1 71 71 ALA N N 71 128.540 128.540 127.934 0.606 17824 4067 1 10 . 1 1 71 71 ALA HA H 71 5.286 5.286 5.072 0.214 17824 4068 1 10 . 1 1 71 71 ALA C C 71 174.520 174.520 175.396 -0.876 17824 4069 1 10 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.424 0.348 17824 4070 1 10 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.962 1.013 17824 4071 1 10 . 1 1 71 71 ALA H H 71 9.247 9.247 8.855 0.392 17824 4072 1 10 . 1 1 72 72 TRP N N 72 120.167 120.167 122.001 -1.834 17824 4073 1 10 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.195 0.225 17824 4074 1 10 . 1 1 72 72 TRP C C 72 177.182 177.182 176.794 0.388 17824 4075 1 10 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.309 1.454 17824 4076 1 10 . 1 1 72 72 TRP CB C 72 32.630 32.630 32.025 0.605 17824 4077 1 10 . 1 1 72 72 TRP H H 72 9.065 9.065 8.918 0.147 17824 4078 1 10 . 1 1 73 73 GLY N N 73 110.755 110.755 108.654 2.101 17824 4079 1 10 . 1 1 73 73 GLY C C 73 177.914 177.914 174.599 3.315 17824 4080 1 10 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.439 0.728 17824 4081 1 10 . 1 1 73 73 GLY H H 73 9.128 9.128 9.543 -0.415 17824 4082 1 10 . 1 1 74 74 VAL N N 74 122.747 122.747 125.199 -2.452 17824 4083 1 10 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.914 -0.078 17824 4084 1 10 . 1 1 74 74 VAL C C 74 176.014 176.014 176.952 -0.938 17824 4085 1 10 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.417 -0.424 17824 4086 1 10 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.831 -0.111 17824 4087 1 10 . 1 1 74 74 VAL H H 74 8.299 8.299 8.400 -0.101 17824 4088 1 10 . 1 1 75 75 CYS N N 75 116.720 116.720 120.277 -3.557 17824 4089 1 10 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.332 -0.037 17824 4090 1 10 . 1 1 75 75 CYS C C 75 174.359 174.359 175.240 -0.881 17824 4091 1 10 . 1 1 75 75 CYS CA C 75 58.217 58.217 59.031 -0.814 17824 4092 1 10 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.820 3.881 17824 4093 1 10 . 1 1 75 75 CYS H H 75 7.567 7.567 8.133 -0.566 17824 4094 1 10 . 1 1 76 76 ASN N N 76 114.522 114.522 118.043 -3.521 17824 4095 1 10 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.289 0.145 17824 4096 1 10 . 1 1 76 76 ASN C C 76 173.726 173.726 173.382 0.344 17824 4097 1 10 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.443 1.209 17824 4098 1 10 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.465 0.484 17824 4099 1 10 . 1 1 76 76 ASN H H 76 8.060 8.060 8.090 -0.030 17824 4100 1 10 . 1 1 77 77 HIS N N 77 117.754 117.754 117.621 0.133 17824 4101 1 10 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.760 -0.043 17824 4102 1 10 . 1 1 77 77 HIS C C 77 172.650 172.650 172.946 -0.296 17824 4103 1 10 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.798 3.028 17824 4104 1 10 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.120 -1.231 17824 4105 1 10 . 1 1 77 77 HIS H H 77 7.797 7.797 7.574 0.223 17824 4106 1 10 . 1 1 78 78 ALA N N 78 122.889 122.889 123.014 -0.125 17824 4107 1 10 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.422 -0.473 17824 4108 1 10 . 1 1 78 78 ALA C C 78 174.873 174.873 174.997 -0.124 17824 4109 1 10 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.363 -1.834 17824 4110 1 10 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.981 -1.904 17824 4111 1 10 . 1 1 78 78 ALA H H 78 7.811 7.811 8.379 -0.568 17824 4112 1 10 . 1 1 79 79 PHE N N 79 113.618 113.618 119.907 -6.289 17824 4113 1 10 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.777 -0.078 17824 4114 1 10 . 1 1 79 79 PHE C C 79 176.138 176.138 174.701 1.437 17824 4115 1 10 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.942 -1.593 17824 4116 1 10 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.396 2.190 17824 4117 1 10 . 1 1 79 79 PHE H H 79 8.377 8.377 8.821 -0.444 17824 4118 1 10 . 1 1 80 80 HIS N N 80 118.823 118.823 120.137 -1.314 17824 4119 1 10 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.868 -0.039 17824 4120 1 10 . 1 1 80 80 HIS C C 80 177.268 177.268 176.582 0.686 17824 4121 1 10 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.143 4.806 17824 4122 1 10 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.858 -1.123 17824 4123 1 10 . 1 1 80 80 HIS H H 80 8.429 8.429 8.457 -0.028 17824 4124 1 10 . 1 1 81 81 PHE N N 81 129.040 129.040 126.325 2.715 17824 4125 1 10 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.290 0.049 17824 4126 1 10 . 1 1 81 81 PHE C C 81 178.911 178.911 177.047 1.864 17824 4127 1 10 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.001 -0.163 17824 4128 1 10 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.462 -0.406 17824 4129 1 10 . 1 1 81 81 PHE H H 81 9.881 9.881 8.552 1.329 17824 4130 1 10 . 1 1 82 82 HIS N N 82 120.611 120.611 119.210 1.401 17824 4131 1 10 . 1 1 82 82 HIS HA H 82 4.286 4.286 3.996 0.290 17824 4132 1 10 . 1 1 82 82 HIS C C 82 177.694 177.694 176.967 0.727 17824 4133 1 10 . 1 1 82 82 HIS CA C 82 58.904 58.904 60.017 -1.113 17824 4134 1 10 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.937 2.896 17824 4135 1 10 . 1 1 82 82 HIS H H 82 10.457 10.457 8.506 1.951 17824 4136 1 10 . 1 1 83 83 CYS N N 83 117.628 117.628 117.469 0.159 17824 4137 1 10 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.112 0.042 17824 4138 1 10 . 1 1 83 83 CYS C C 83 177.768 177.768 177.035 0.733 17824 4139 1 10 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.239 0.729 17824 4140 1 10 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.298 2.606 17824 4141 1 10 . 1 1 83 83 CYS H H 83 6.933 6.933 8.418 -1.485 17824 4142 1 10 . 1 1 84 84 ILE N N 84 119.139 119.139 120.664 -1.525 17824 4143 1 10 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.511 0.331 17824 4144 1 10 . 1 1 84 84 ILE C C 84 175.705 175.705 177.127 -1.422 17824 4145 1 10 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.527 -3.650 17824 4146 1 10 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.734 0.343 17824 4147 1 10 . 1 1 84 84 ILE H H 84 8.290 8.290 8.829 -0.539 17824 4148 1 10 . 1 1 85 85 SER N N 85 118.224 118.224 116.718 1.506 17824 4149 1 10 . 1 1 85 85 SER HA H 85 3.995 3.995 3.969 0.026 17824 4150 1 10 . 1 1 85 85 SER C C 85 176.097 176.097 176.342 -0.245 17824 4151 1 10 . 1 1 85 85 SER CA C 85 62.841 62.841 62.446 0.395 17824 4152 1 10 . 1 1 85 85 SER CB C 85 62.009 62.009 62.365 -0.356 17824 4153 1 10 . 1 1 85 85 SER H H 85 8.157 8.157 8.395 -0.238 17824 4154 1 10 . 1 1 86 86 ARG N N 86 120.496 120.496 122.952 -2.456 17824 4155 1 10 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.083 -0.059 17824 4156 1 10 . 1 1 86 86 ARG C C 86 179.382 179.382 178.208 1.174 17824 4157 1 10 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.477 1.388 17824 4158 1 10 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.514 0.346 17824 4159 1 10 . 1 1 86 86 ARG H H 86 7.174 7.174 7.642 -0.468 17824 4160 1 10 . 1 1 87 87 TRP N N 87 123.951 123.951 120.533 3.418 17824 4161 1 10 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.294 -0.135 17824 4162 1 10 . 1 1 87 87 TRP C C 87 177.572 177.572 178.201 -0.629 17824 4163 1 10 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.104 0.820 17824 4164 1 10 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.666 -0.420 17824 4165 1 10 . 1 1 87 87 TRP H H 87 7.981 7.981 8.123 -0.142 17824 4166 1 10 . 1 1 88 88 LEU N N 88 116.707 116.707 116.844 -0.137 17824 4167 1 10 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.204 0.559 17824 4168 1 10 . 1 1 88 88 LEU C C 88 178.008 178.008 178.666 -0.658 17824 4169 1 10 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.589 -0.861 17824 4170 1 10 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.733 0.464 17824 4171 1 10 . 1 1 88 88 LEU H H 88 8.246 8.246 8.211 0.035 17824 4172 1 10 . 1 1 89 89 LYS N N 89 117.240 117.240 117.302 -0.062 17824 4173 1 10 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.040 0.041 17824 4174 1 10 . 1 1 89 89 LYS C C 89 178.385 178.385 177.717 0.668 17824 4175 1 10 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.670 0.241 17824 4176 1 10 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.406 -0.102 17824 4177 1 10 . 1 1 89 89 LYS H H 89 7.309 7.309 7.877 -0.568 17824 4178 1 10 . 1 1 90 90 THR N N 90 106.446 106.446 110.834 -4.388 17824 4179 1 10 . 1 1 90 90 THR HA H 90 4.383 4.383 4.197 0.186 17824 4180 1 10 . 1 1 90 90 THR C C 90 173.919 173.919 173.860 0.059 17824 4181 1 10 . 1 1 90 90 THR CA C 90 62.069 62.069 62.190 -0.121 17824 4182 1 10 . 1 1 90 90 THR CB C 90 70.133 70.133 69.814 0.319 17824 4183 1 10 . 1 1 90 90 THR H H 90 7.452 7.452 7.353 0.099 17824 4184 1 10 . 1 1 91 91 ARG N N 91 121.616 121.616 119.297 2.319 17824 4185 1 10 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.443 -0.038 17824 4186 1 10 . 1 1 91 91 ARG C C 91 174.754 174.754 174.468 0.286 17824 4187 1 10 . 1 1 91 91 ARG CA C 91 54.833 54.833 54.041 0.792 17824 4188 1 10 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.173 1.712 17824 4189 1 10 . 1 1 91 91 ARG H H 91 7.426 7.426 7.538 -0.112 17824 4190 1 10 . 1 1 92 92 GLN N N 92 118.161 118.161 120.218 -2.057 17824 4191 1 10 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.575 0.133 17824 4192 1 10 . 1 1 92 92 GLN C C 92 176.437 176.437 174.639 1.798 17824 4193 1 10 . 1 1 92 92 GLN CA C 92 55.783 55.783 55.613 0.170 17824 4194 1 10 . 1 1 92 92 GLN CB C 92 28.958 28.958 30.014 -1.056 17824 4195 1 10 . 1 1 92 92 GLN H H 92 8.526 8.526 8.737 -0.211 17824 4196 1 10 . 1 1 93 93 VAL N N 93 109.557 109.557 112.466 -2.909 17824 4197 1 10 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.891 0.174 17824 4198 1 10 . 1 1 93 93 VAL C C 93 174.806 174.806 175.328 -0.522 17824 4199 1 10 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.201 -0.853 17824 4200 1 10 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.744 0.564 17824 4201 1 10 . 1 1 93 93 VAL H H 93 7.083 7.083 7.229 -0.146 17824 4202 1 10 . 1 1 94 94 CYS N N 94 123.889 123.889 122.306 1.583 17824 4203 1 10 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.531 -0.027 17824 4204 1 10 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.197 -4.337 17824 4205 1 10 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.464 4.301 17824 4206 1 10 . 1 1 94 94 CYS H H 94 9.020 9.020 9.380 -0.360 17824 4207 1 10 . 1 1 95 95 PRO HA H 95 4.080 4.080 3.723 0.357 17824 4208 1 10 . 1 1 95 95 PRO C C 95 177.037 177.037 175.832 1.205 17824 4209 1 10 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.452 -0.454 17824 4210 1 10 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.355 1.307 17824 4211 1 10 . 1 1 96 96 LEU N N 96 118.497 118.497 117.596 0.901 17824 4212 1 10 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.087 0.229 17824 4213 1 10 . 1 1 96 96 LEU C C 96 177.797 177.797 177.524 0.273 17824 4214 1 10 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.421 -0.609 17824 4215 1 10 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.843 1.231 17824 4216 1 10 . 1 1 96 96 LEU H H 96 8.798 8.798 7.492 1.306 17824 4217 1 10 . 1 1 97 97 ASP N N 97 114.958 114.958 118.300 -3.342 17824 4218 1 10 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.625 0.327 17824 4219 1 10 . 1 1 97 97 ASP C C 97 175.946 175.946 176.621 -0.675 17824 4220 1 10 . 1 1 97 97 ASP CA C 97 54.712 54.712 54.611 0.101 17824 4221 1 10 . 1 1 97 97 ASP CB C 97 43.183 43.183 41.022 2.162 17824 4222 1 10 . 1 1 97 97 ASP H H 97 7.396 7.396 7.870 -0.474 17824 4223 1 10 . 1 1 98 98 ASN N N 98 115.407 115.407 115.975 -0.568 17824 4224 1 10 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.380 0.044 17824 4225 1 10 . 1 1 98 98 ASN C C 98 173.934 173.934 173.773 0.161 17824 4226 1 10 . 1 1 98 98 ASN CA C 98 55.302 55.302 53.976 1.326 17824 4227 1 10 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.374 1.622 17824 4228 1 10 . 1 1 98 98 ASN H H 98 8.332 8.332 8.156 0.176 17824 4229 1 10 . 1 1 99 99 ARG N N 99 119.005 119.005 119.189 -0.184 17824 4230 1 10 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.611 -0.139 17824 4231 1 10 . 1 1 99 99 ARG C C 99 176.631 176.631 174.516 2.115 17824 4232 1 10 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.041 1.780 17824 4233 1 10 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.410 -1.440 17824 4234 1 10 . 1 1 99 99 ARG H H 99 8.825 8.825 7.944 0.881 17824 4235 1 10 . 1 1 100 100 GLU N N 100 122.676 122.676 126.375 -3.699 17824 4236 1 10 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.309 -0.159 17824 4237 1 10 . 1 1 100 100 GLU C C 100 176.647 176.647 175.480 1.167 17824 4238 1 10 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.270 1.078 17824 4239 1 10 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.391 -0.657 17824 4240 1 10 . 1 1 100 100 GLU H H 100 8.869 8.869 8.782 0.087 17824 4241 1 10 . 1 1 101 101 TRP N N 101 126.288 126.288 130.489 -4.201 17824 4242 1 10 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.664 -0.061 17824 4243 1 10 . 1 1 101 101 TRP C C 101 175.786 175.786 175.341 0.445 17824 4244 1 10 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.696 0.239 17824 4245 1 10 . 1 1 101 101 TRP CB C 101 29.758 29.758 29.683 0.075 17824 4246 1 10 . 1 1 101 101 TRP H H 101 8.437 8.437 8.055 0.382 17824 4247 1 10 . 1 1 102 102 GLU N N 102 127.912 127.912 124.840 3.072 17824 4248 1 10 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.404 -0.132 17824 4249 1 10 . 1 1 102 102 GLU C C 102 174.791 174.791 174.400 0.391 17824 4250 1 10 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.131 0.593 17824 4251 1 10 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.406 -0.151 17824 4252 1 10 . 1 1 102 102 GLU H H 102 7.319 7.319 7.848 -0.529 17824 4253 1 10 . 1 1 103 103 PHE N N 103 122.445 122.445 123.501 -1.056 17824 4254 1 10 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.777 -0.409 17824 4255 1 10 . 1 1 103 103 PHE C C 103 176.419 176.419 176.262 0.157 17824 4256 1 10 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.718 1.352 17824 4257 1 10 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.409 0.465 17824 4258 1 10 . 1 1 103 103 PHE H H 103 8.827 8.827 8.782 0.045 17824 4259 1 10 . 1 1 104 104 GLN N N 104 122.896 122.896 127.286 -4.390 17824 4260 1 10 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.330 -0.044 17824 4261 1 10 . 1 1 104 104 GLN C C 104 175.487 175.487 175.196 0.291 17824 4262 1 10 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.657 -1.387 17824 4263 1 10 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.094 0.452 17824 4264 1 10 . 1 1 104 104 GLN H H 104 9.119 9.119 8.779 0.340 17824 4265 1 10 . 1 1 105 105 LYS N N 105 121.917 121.917 116.920 4.997 17824 4266 1 10 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.522 -0.086 17824 4267 1 10 . 1 1 105 105 LYS C C 105 175.219 175.219 175.035 0.184 17824 4268 1 10 . 1 1 105 105 LYS CA C 105 56.282 56.282 55.674 0.608 17824 4269 1 10 . 1 1 105 105 LYS CB C 105 33.804 33.804 34.755 -0.951 17824 4270 1 10 . 1 1 105 105 LYS H H 105 8.308 8.308 7.779 0.529 17824 4271 1 10 . 1 1 106 106 TYR N N 106 121.451 121.451 120.073 1.378 17824 4272 1 10 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.759 0.055 17824 4273 1 10 . 1 1 106 106 TYR C C 106 176.017 176.017 174.470 1.547 17824 4274 1 10 . 1 1 106 106 TYR CA C 106 57.828 57.828 56.927 0.901 17824 4275 1 10 . 1 1 106 106 TYR CB C 106 39.606 39.606 39.253 0.353 17824 4276 1 10 . 1 1 106 106 TYR H H 106 8.431 8.431 8.101 0.330 17824 4277 1 10 . 1 1 107 107 GLY N N 107 110.965 110.965 106.000 4.965 17824 4278 1 10 . 1 1 107 107 GLY C C 107 172.723 172.723 172.535 0.188 17824 4279 1 10 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.487 0.795 17824 4280 1 10 . 1 1 107 107 GLY H H 107 8.395 8.395 7.186 1.209 17824 4281 1 11 . 1 1 35 35 TRP N N 35 118.681 118.681 119.821 -1.140 17824 4282 1 11 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.915 -0.272 17824 4283 1 11 . 1 1 35 35 TRP C C 35 175.833 175.833 173.656 2.177 17824 4284 1 11 . 1 1 35 35 TRP CA C 35 56.900 56.900 55.716 1.184 17824 4285 1 11 . 1 1 35 35 TRP CB C 35 29.375 29.375 30.433 -1.058 17824 4286 1 11 . 1 1 35 35 TRP H H 35 7.831 7.831 8.309 -0.478 17824 4287 1 11 . 1 1 36 36 ASP N N 36 121.178 121.178 120.960 0.218 17824 4288 1 11 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.572 0.002 17824 4289 1 11 . 1 1 36 36 ASP C C 36 175.821 175.821 176.817 -0.996 17824 4290 1 11 . 1 1 36 36 ASP CA C 36 54.622 54.622 54.868 -0.246 17824 4291 1 11 . 1 1 36 36 ASP CB C 36 41.150 41.150 41.267 -0.117 17824 4292 1 11 . 1 1 36 36 ASP H H 36 8.111 8.111 7.961 0.150 17824 4293 1 11 . 1 1 37 37 ILE N N 37 120.177 120.177 117.672 2.505 17824 4294 1 11 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.100 0.056 17824 4295 1 11 . 1 1 37 37 ILE C C 37 175.817 175.817 175.648 0.169 17824 4296 1 11 . 1 1 37 37 ILE CA C 37 61.638 61.638 61.040 0.598 17824 4297 1 11 . 1 1 37 37 ILE CB C 37 39.034 39.034 38.317 0.717 17824 4298 1 11 . 1 1 37 37 ILE H H 37 7.820 7.820 7.838 -0.018 17824 4299 1 11 . 1 1 38 38 VAL N N 38 124.844 124.844 123.020 1.824 17824 4300 1 11 . 1 1 38 38 VAL HA H 38 4.160 4.160 3.988 0.172 17824 4301 1 11 . 1 1 38 38 VAL C C 38 176.102 176.102 176.928 -0.826 17824 4302 1 11 . 1 1 38 38 VAL CA C 38 62.055 62.055 62.258 -0.203 17824 4303 1 11 . 1 1 38 38 VAL CB C 38 32.764 32.764 32.468 0.296 17824 4304 1 11 . 1 1 38 38 VAL H H 38 8.203 8.203 7.453 0.750 17824 4305 1 11 . 1 1 39 39 VAL N N 39 123.813 123.813 120.848 2.965 17824 4306 1 11 . 1 1 39 39 VAL HA H 39 4.138 4.138 4.116 0.022 17824 4307 1 11 . 1 1 39 39 VAL C C 39 174.919 174.919 174.821 0.098 17824 4308 1 11 . 1 1 39 39 VAL CA C 39 62.605 62.605 61.160 1.445 17824 4309 1 11 . 1 1 39 39 VAL CB C 39 32.825 32.825 30.979 1.846 17824 4310 1 11 . 1 1 39 39 VAL H H 39 8.163 8.163 8.318 -0.155 17824 4311 1 11 . 1 1 40 40 ASP N N 40 122.074 122.074 118.809 3.265 17824 4312 1 11 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.500 -0.032 17824 4313 1 11 . 1 1 40 40 ASP C C 40 174.408 174.408 175.021 -0.613 17824 4314 1 11 . 1 1 40 40 ASP CA C 40 54.389 54.389 55.036 -0.647 17824 4315 1 11 . 1 1 40 40 ASP CB C 40 41.155 41.155 41.373 -0.218 17824 4316 1 11 . 1 1 40 40 ASP H H 40 8.154 8.154 8.169 -0.015 17824 4317 1 11 . 1 1 41 41 ASN N N 41 115.983 115.983 114.990 0.993 17824 4318 1 11 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.717 0.045 17824 4319 1 11 . 1 1 41 41 ASN C C 41 174.643 174.643 173.570 1.073 17824 4320 1 11 . 1 1 41 41 ASN CA C 41 52.326 52.326 50.845 1.481 17824 4321 1 11 . 1 1 41 41 ASN CB C 41 40.384 40.384 40.303 0.080 17824 4322 1 11 . 1 1 41 41 ASN H H 41 7.901 7.901 7.351 0.550 17824 4323 1 11 . 1 1 42 42 CYS N N 42 123.612 123.612 121.719 1.893 17824 4324 1 11 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.487 -0.201 17824 4325 1 11 . 1 1 42 42 CYS C C 42 176.756 176.756 175.683 1.073 17824 4326 1 11 . 1 1 42 42 CYS CA C 42 58.800 58.800 59.385 -0.585 17824 4327 1 11 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.867 3.906 17824 4328 1 11 . 1 1 42 42 CYS H H 42 8.503 8.503 8.723 -0.220 17824 4329 1 11 . 1 1 43 43 ALA N N 43 132.181 132.181 130.915 1.266 17824 4330 1 11 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.210 -0.045 17824 4331 1 11 . 1 1 43 43 ALA C C 43 177.706 177.706 177.879 -0.173 17824 4332 1 11 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.353 -0.710 17824 4333 1 11 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.361 1.050 17824 4334 1 11 . 1 1 43 43 ALA H H 43 9.493 9.493 8.845 0.648 17824 4335 1 11 . 1 1 44 44 ILE N N 44 116.079 116.079 115.973 0.106 17824 4336 1 11 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.718 0.078 17824 4337 1 11 . 1 1 44 44 ILE C C 44 176.208 176.208 176.923 -0.715 17824 4338 1 11 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.523 1.009 17824 4339 1 11 . 1 1 44 44 ILE CB C 44 39.092 39.092 38.006 1.086 17824 4340 1 11 . 1 1 44 44 ILE H H 44 7.956 7.956 7.677 0.279 17824 4341 1 11 . 1 1 45 45 CYS N N 45 116.456 116.456 113.581 2.875 17824 4342 1 11 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.685 0.339 17824 4343 1 11 . 1 1 45 45 CYS C C 45 175.747 175.747 174.974 0.773 17824 4344 1 11 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.860 1.321 17824 4345 1 11 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.285 3.593 17824 4346 1 11 . 1 1 45 45 CYS H H 45 7.818 7.818 7.831 -0.013 17824 4347 1 11 . 1 1 46 46 ARG N N 46 117.125 117.125 119.247 -2.122 17824 4348 1 11 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.045 -0.040 17824 4349 1 11 . 1 1 46 46 ARG C C 46 175.539 175.539 174.646 0.893 17824 4350 1 11 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.660 3.124 17824 4351 1 11 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.075 -0.481 17824 4352 1 11 . 1 1 46 46 ARG H H 46 8.511 8.511 8.363 0.148 17824 4353 1 11 . 1 1 47 47 ASN N N 47 121.377 121.377 116.238 5.139 17824 4354 1 11 . 1 1 47 47 ASN HA H 47 5.012 5.012 5.054 -0.042 17824 4355 1 11 . 1 1 47 47 ASN C C 47 175.537 175.537 173.627 1.910 17824 4356 1 11 . 1 1 47 47 ASN CA C 47 49.022 49.022 50.689 -1.667 17824 4357 1 11 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.535 -2.520 17824 4358 1 11 . 1 1 47 47 ASN H H 47 8.720 8.720 7.506 1.214 17824 4359 1 11 . 1 1 48 48 HIS N N 48 122.235 122.235 120.140 2.095 17824 4360 1 11 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.448 0.051 17824 4361 1 11 . 1 1 48 48 HIS C C 48 177.722 177.722 175.950 1.772 17824 4362 1 11 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.982 0.890 17824 4363 1 11 . 1 1 48 48 HIS CB C 48 30.720 30.720 30.729 -0.009 17824 4364 1 11 . 1 1 48 48 HIS H H 48 9.226 9.226 8.681 0.545 17824 4365 1 11 . 1 1 49 49 ILE N N 49 126.643 126.643 124.640 2.003 17824 4366 1 11 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.877 -0.477 17824 4367 1 11 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.448 -0.960 17824 4368 1 11 . 1 1 49 49 ILE CB C 49 38.971 38.971 39.117 -0.146 17824 4369 1 11 . 1 1 49 49 ILE H H 49 7.991 7.991 8.513 -0.522 17824 4370 1 11 . 1 1 50 50 MET HA H 50 4.268 4.268 4.357 -0.089 17824 4371 1 11 . 1 1 50 50 MET C C 50 177.236 177.236 174.713 2.523 17824 4372 1 11 . 1 1 50 50 MET CA C 50 54.795 54.795 56.672 -1.877 17824 4373 1 11 . 1 1 50 50 MET CB C 50 31.357 31.357 29.831 1.526 17824 4374 1 11 . 1 1 51 51 ASP N N 51 121.143 121.143 118.789 2.354 17824 4375 1 11 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.302 -0.289 17824 4376 1 11 . 1 1 51 51 ASP C C 51 176.770 176.770 176.044 0.726 17824 4377 1 11 . 1 1 51 51 ASP CA C 51 50.103 50.103 51.424 -1.321 17824 4378 1 11 . 1 1 51 51 ASP CB C 51 43.285 43.285 44.034 -0.749 17824 4379 1 11 . 1 1 51 51 ASP H H 51 7.854 7.854 7.892 -0.038 17824 4380 1 11 . 1 1 52 52 LEU N N 52 119.501 119.501 120.821 -1.320 17824 4381 1 11 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.173 0.173 17824 4382 1 11 . 1 1 52 52 LEU C C 52 177.049 177.049 176.843 0.206 17824 4383 1 11 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.711 -0.280 17824 4384 1 11 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.600 0.755 17824 4385 1 11 . 1 1 52 52 LEU H H 52 8.484 8.484 8.527 -0.043 17824 4386 1 11 . 1 1 53 53 CYS N N 53 120.790 120.790 118.275 2.515 17824 4387 1 11 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.595 -0.749 17824 4388 1 11 . 1 1 53 53 CYS C C 53 175.247 175.247 176.617 -1.370 17824 4389 1 11 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.133 -0.302 17824 4390 1 11 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.743 2.901 17824 4391 1 11 . 1 1 53 53 CYS H H 53 8.151 8.151 8.180 -0.029 17824 4392 1 11 . 1 1 54 54 ILE N N 54 116.790 116.790 120.470 -3.680 17824 4393 1 11 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.799 0.136 17824 4394 1 11 . 1 1 54 54 ILE C C 54 176.615 176.615 177.406 -0.791 17824 4395 1 11 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.498 -1.591 17824 4396 1 11 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.766 1.268 17824 4397 1 11 . 1 1 54 54 ILE H H 54 6.626 6.626 8.785 -2.159 17824 4398 1 11 . 1 1 55 55 GLU N N 55 123.451 123.451 120.058 3.393 17824 4399 1 11 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.166 -0.012 17824 4400 1 11 . 1 1 55 55 GLU C C 55 179.075 179.075 178.220 0.855 17824 4401 1 11 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.980 0.801 17824 4402 1 11 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.293 1.171 17824 4403 1 11 . 1 1 55 55 GLU H H 55 7.642 7.642 8.491 -0.849 17824 4404 1 11 . 1 1 56 56 CYS N N 56 124.445 124.445 117.911 6.534 17824 4405 1 11 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.104 -0.116 17824 4406 1 11 . 1 1 56 56 CYS C C 56 178.290 178.290 177.043 1.247 17824 4407 1 11 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.828 2.150 17824 4408 1 11 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.002 3.651 17824 4409 1 11 . 1 1 56 56 CYS H H 56 8.676 8.676 8.268 0.408 17824 4410 1 11 . 1 1 57 57 GLN N N 57 117.736 117.736 120.612 -2.876 17824 4411 1 11 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.000 -0.108 17824 4412 1 11 . 1 1 57 57 GLN C C 57 177.428 177.428 177.497 -0.069 17824 4413 1 11 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.251 0.621 17824 4414 1 11 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.775 1.053 17824 4415 1 11 . 1 1 57 57 GLN H H 57 8.419 8.419 8.179 0.240 17824 4416 1 11 . 1 1 58 58 ALA N N 58 119.578 119.578 121.026 -1.448 17824 4417 1 11 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.173 0.104 17824 4418 1 11 . 1 1 58 58 ALA C C 58 178.087 178.087 178.968 -0.881 17824 4419 1 11 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.548 -0.026 17824 4420 1 11 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.365 0.652 17824 4421 1 11 . 1 1 58 58 ALA H H 58 7.335 7.335 7.603 -0.268 17824 4422 1 11 . 1 1 59 59 ASN N N 59 116.209 116.209 116.655 -0.446 17824 4423 1 11 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.516 0.302 17824 4424 1 11 . 1 1 59 59 ASN C C 59 175.372 175.372 175.756 -0.384 17824 4425 1 11 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.328 -1.670 17824 4426 1 11 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.258 -0.149 17824 4427 1 11 . 1 1 59 59 ASN H H 59 7.617 7.617 8.251 -0.634 17824 4428 1 11 . 1 1 60 60 GLN N N 60 120.078 120.078 117.972 2.106 17824 4429 1 11 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.940 0.272 17824 4430 1 11 . 1 1 60 60 GLN C C 60 176.218 176.218 174.175 2.043 17824 4431 1 11 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.275 1.036 17824 4432 1 11 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.866 1.784 17824 4433 1 11 . 1 1 60 60 GLN H H 60 8.116 8.116 7.859 0.257 17824 4434 1 11 . 1 1 61 61 ALA N N 61 122.298 122.298 124.040 -1.742 17824 4435 1 11 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.354 -0.036 17824 4436 1 11 . 1 1 61 61 ALA C C 61 177.964 177.964 177.071 0.893 17824 4437 1 11 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.483 0.958 17824 4438 1 11 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.583 -0.931 17824 4439 1 11 . 1 1 61 61 ALA H H 61 8.345 8.345 7.492 0.853 17824 4440 1 11 . 1 1 62 62 SER N N 62 113.232 113.232 117.493 -4.261 17824 4441 1 11 . 1 1 62 62 SER HA H 62 4.454 4.454 4.527 -0.073 17824 4442 1 11 . 1 1 62 62 SER C C 62 174.747 174.747 174.160 0.587 17824 4443 1 11 . 1 1 62 62 SER CA C 62 58.197 58.197 57.686 0.511 17824 4444 1 11 . 1 1 62 62 SER CB C 62 63.906 63.906 62.568 1.338 17824 4445 1 11 . 1 1 62 62 SER H H 62 8.011 8.011 8.498 -0.487 17824 4446 1 11 . 1 1 63 63 ALA N N 63 125.573 125.573 129.683 -4.110 17824 4447 1 11 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.478 -0.295 17824 4448 1 11 . 1 1 63 63 ALA C C 63 178.091 178.091 176.126 1.965 17824 4449 1 11 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.755 0.251 17824 4450 1 11 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.958 -1.202 17824 4451 1 11 . 1 1 63 63 ALA H H 63 8.323 8.323 8.377 -0.054 17824 4452 1 11 . 1 1 64 64 THR N N 64 111.006 111.006 113.293 -2.287 17824 4453 1 11 . 1 1 64 64 THR HA H 64 4.495 4.495 4.596 -0.101 17824 4454 1 11 . 1 1 64 64 THR C C 64 175.346 175.346 173.667 1.679 17824 4455 1 11 . 1 1 64 64 THR CA C 64 61.903 61.903 61.349 0.554 17824 4456 1 11 . 1 1 64 64 THR CB C 64 69.903 69.903 71.536 -1.633 17824 4457 1 11 . 1 1 64 64 THR H H 64 8.071 8.071 8.055 0.016 17824 4458 1 11 . 1 1 65 65 SER N N 65 118.037 118.037 118.846 -0.809 17824 4459 1 11 . 1 1 65 65 SER HA H 65 4.524 4.524 4.462 0.062 17824 4460 1 11 . 1 1 65 65 SER C C 65 175.131 175.131 175.129 0.002 17824 4461 1 11 . 1 1 65 65 SER CA C 65 59.795 59.795 59.057 0.738 17824 4462 1 11 . 1 1 65 65 SER CB C 65 63.833 63.833 63.795 0.038 17824 4463 1 11 . 1 1 65 65 SER H H 65 8.328 8.328 8.724 -0.396 17824 4464 1 11 . 1 1 66 66 GLU N N 66 121.505 121.505 121.221 0.284 17824 4465 1 11 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.213 0.101 17824 4466 1 11 . 1 1 66 66 GLU C C 66 176.394 176.394 176.137 0.257 17824 4467 1 11 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.196 -1.201 17824 4468 1 11 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.177 0.133 17824 4469 1 11 . 1 1 66 66 GLU H H 66 8.368 8.368 8.431 -0.063 17824 4470 1 11 . 1 1 67 67 GLU N N 67 119.409 119.409 112.347 7.062 17824 4471 1 11 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.529 -0.238 17824 4472 1 11 . 1 1 67 67 GLU C C 67 175.079 175.079 175.215 -0.136 17824 4473 1 11 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.803 1.677 17824 4474 1 11 . 1 1 67 67 GLU CB C 67 29.931 29.931 30.991 -1.060 17824 4475 1 11 . 1 1 67 67 GLU H H 67 8.074 8.074 7.864 0.210 17824 4476 1 11 . 1 1 68 68 CYS N N 68 126.937 126.937 122.051 4.886 17824 4477 1 11 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.612 -0.324 17824 4478 1 11 . 1 1 68 68 CYS C C 68 174.423 174.423 174.452 -0.029 17824 4479 1 11 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.589 -0.780 17824 4480 1 11 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.011 0.659 17824 4481 1 11 . 1 1 68 68 CYS H H 68 8.340 8.340 8.574 -0.234 17824 4482 1 11 . 1 1 69 69 THR N N 69 116.442 116.442 108.461 7.981 17824 4483 1 11 . 1 1 69 69 THR HA H 69 4.891 4.891 4.889 0.002 17824 4484 1 11 . 1 1 69 69 THR C C 69 175.561 175.561 172.844 2.717 17824 4485 1 11 . 1 1 69 69 THR CA C 69 60.817 60.817 62.021 -1.204 17824 4486 1 11 . 1 1 69 69 THR CB C 69 71.654 71.654 71.103 0.551 17824 4487 1 11 . 1 1 69 69 THR H H 69 7.497 7.497 7.646 -0.149 17824 4488 1 11 . 1 1 70 70 VAL N N 70 123.637 123.637 122.116 1.521 17824 4489 1 11 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.784 -0.449 17824 4490 1 11 . 1 1 70 70 VAL C C 70 174.368 174.368 172.750 1.618 17824 4491 1 11 . 1 1 70 70 VAL CA C 70 62.942 62.942 59.861 3.081 17824 4492 1 11 . 1 1 70 70 VAL CB C 70 33.897 33.897 36.241 -2.344 17824 4493 1 11 . 1 1 70 70 VAL H H 70 8.862 8.862 8.837 0.025 17824 4494 1 11 . 1 1 71 71 ALA N N 71 128.540 128.540 126.635 1.905 17824 4495 1 11 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.832 0.454 17824 4496 1 11 . 1 1 71 71 ALA C C 71 174.520 174.520 175.400 -0.880 17824 4497 1 11 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.813 -0.041 17824 4498 1 11 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.874 1.101 17824 4499 1 11 . 1 1 71 71 ALA H H 71 9.247 9.247 9.014 0.233 17824 4500 1 11 . 1 1 72 72 TRP N N 72 120.167 120.167 121.831 -1.664 17824 4501 1 11 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.358 0.062 17824 4502 1 11 . 1 1 72 72 TRP C C 72 177.182 177.182 176.888 0.294 17824 4503 1 11 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.214 1.549 17824 4504 1 11 . 1 1 72 72 TRP CB C 72 32.630 32.630 32.130 0.499 17824 4505 1 11 . 1 1 72 72 TRP H H 72 9.065 9.065 8.742 0.323 17824 4506 1 11 . 1 1 73 73 GLY N N 73 110.755 110.755 108.368 2.387 17824 4507 1 11 . 1 1 73 73 GLY C C 73 177.914 177.914 174.606 3.308 17824 4508 1 11 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.303 0.864 17824 4509 1 11 . 1 1 73 73 GLY H H 73 9.128 9.128 9.519 -0.391 17824 4510 1 11 . 1 1 74 74 VAL N N 74 122.747 122.747 124.443 -1.696 17824 4511 1 11 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.989 -0.153 17824 4512 1 11 . 1 1 74 74 VAL C C 74 176.014 176.014 177.233 -1.219 17824 4513 1 11 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.223 -0.230 17824 4514 1 11 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.754 -0.034 17824 4515 1 11 . 1 1 74 74 VAL H H 74 8.299 8.299 8.076 0.223 17824 4516 1 11 . 1 1 75 75 CYS N N 75 116.720 116.720 114.649 2.071 17824 4517 1 11 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.436 -0.141 17824 4518 1 11 . 1 1 75 75 CYS C C 75 174.359 174.359 175.083 -0.724 17824 4519 1 11 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.605 0.612 17824 4520 1 11 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.893 3.808 17824 4521 1 11 . 1 1 75 75 CYS H H 75 7.567 7.567 8.051 -0.484 17824 4522 1 11 . 1 1 76 76 ASN N N 76 114.522 114.522 116.640 -2.118 17824 4523 1 11 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.184 0.250 17824 4524 1 11 . 1 1 76 76 ASN C C 76 173.726 173.726 173.362 0.364 17824 4525 1 11 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.483 1.169 17824 4526 1 11 . 1 1 76 76 ASN CB C 76 36.948 36.948 35.955 0.993 17824 4527 1 11 . 1 1 76 76 ASN H H 76 8.060 8.060 7.948 0.112 17824 4528 1 11 . 1 1 77 77 HIS N N 77 117.754 117.754 116.182 1.572 17824 4529 1 11 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.772 -0.055 17824 4530 1 11 . 1 1 77 77 HIS C C 77 172.650 172.650 173.432 -0.782 17824 4531 1 11 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.610 3.216 17824 4532 1 11 . 1 1 77 77 HIS CB C 77 32.889 32.889 33.342 -0.453 17824 4533 1 11 . 1 1 77 77 HIS H H 77 7.797 7.797 7.506 0.291 17824 4534 1 11 . 1 1 78 78 ALA N N 78 122.889 122.889 122.910 -0.021 17824 4535 1 11 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.482 -0.533 17824 4536 1 11 . 1 1 78 78 ALA C C 78 174.873 174.873 175.072 -0.199 17824 4537 1 11 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.472 -1.943 17824 4538 1 11 . 1 1 78 78 ALA CB C 78 20.077 20.077 22.031 -1.954 17824 4539 1 11 . 1 1 78 78 ALA H H 78 7.811 7.811 8.279 -0.468 17824 4540 1 11 . 1 1 79 79 PHE N N 79 113.618 113.618 120.294 -6.676 17824 4541 1 11 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.738 -0.039 17824 4542 1 11 . 1 1 79 79 PHE C C 79 176.138 176.138 174.673 1.465 17824 4543 1 11 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.810 -1.461 17824 4544 1 11 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.366 2.220 17824 4545 1 11 . 1 1 79 79 PHE H H 79 8.377 8.377 8.998 -0.621 17824 4546 1 11 . 1 1 80 80 HIS N N 80 118.823 118.823 120.326 -1.503 17824 4547 1 11 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.829 0.000 17824 4548 1 11 . 1 1 80 80 HIS C C 80 177.268 177.268 176.474 0.794 17824 4549 1 11 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.250 4.699 17824 4550 1 11 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.714 -0.979 17824 4551 1 11 . 1 1 80 80 HIS H H 80 8.429 8.429 8.418 0.011 17824 4552 1 11 . 1 1 81 81 PHE N N 81 129.040 129.040 126.133 2.907 17824 4553 1 11 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.300 0.039 17824 4554 1 11 . 1 1 81 81 PHE C C 81 178.911 178.911 176.809 2.102 17824 4555 1 11 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.302 -0.464 17824 4556 1 11 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.488 -0.432 17824 4557 1 11 . 1 1 81 81 PHE H H 81 9.881 9.881 8.709 1.172 17824 4558 1 11 . 1 1 82 82 HIS N N 82 120.611 120.611 119.311 1.300 17824 4559 1 11 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.078 0.208 17824 4560 1 11 . 1 1 82 82 HIS C C 82 177.694 177.694 177.228 0.466 17824 4561 1 11 . 1 1 82 82 HIS CA C 82 58.904 58.904 60.001 -1.097 17824 4562 1 11 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.815 3.018 17824 4563 1 11 . 1 1 82 82 HIS H H 82 10.457 10.457 8.220 2.237 17824 4564 1 11 . 1 1 83 83 CYS N N 83 117.628 117.628 117.573 0.055 17824 4565 1 11 . 1 1 83 83 CYS HA H 83 4.154 4.154 3.998 0.156 17824 4566 1 11 . 1 1 83 83 CYS C C 83 177.768 177.768 177.066 0.702 17824 4567 1 11 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.210 0.758 17824 4568 1 11 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.206 2.697 17824 4569 1 11 . 1 1 83 83 CYS H H 83 6.933 6.933 8.282 -1.349 17824 4570 1 11 . 1 1 84 84 ILE N N 84 119.139 119.139 120.430 -1.291 17824 4571 1 11 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.439 0.403 17824 4572 1 11 . 1 1 84 84 ILE C C 84 175.705 175.705 177.071 -1.366 17824 4573 1 11 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.464 -3.587 17824 4574 1 11 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.706 0.371 17824 4575 1 11 . 1 1 84 84 ILE H H 84 8.290 8.290 8.795 -0.505 17824 4576 1 11 . 1 1 85 85 SER N N 85 118.224 118.224 116.559 1.665 17824 4577 1 11 . 1 1 85 85 SER HA H 85 3.995 3.995 4.007 -0.012 17824 4578 1 11 . 1 1 85 85 SER C C 85 176.097 176.097 176.664 -0.567 17824 4579 1 11 . 1 1 85 85 SER CA C 85 62.841 62.841 62.369 0.472 17824 4580 1 11 . 1 1 85 85 SER CB C 85 62.009 62.009 62.452 -0.443 17824 4581 1 11 . 1 1 85 85 SER H H 85 8.157 8.157 8.262 -0.105 17824 4582 1 11 . 1 1 86 86 ARG N N 86 120.496 120.496 121.176 -0.680 17824 4583 1 11 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.036 -0.012 17824 4584 1 11 . 1 1 86 86 ARG C C 86 179.382 179.382 178.345 1.037 17824 4585 1 11 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.766 1.099 17824 4586 1 11 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.777 0.083 17824 4587 1 11 . 1 1 86 86 ARG H H 86 7.174 7.174 7.555 -0.381 17824 4588 1 11 . 1 1 87 87 TRP N N 87 123.951 123.951 121.682 2.269 17824 4589 1 11 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.217 -0.058 17824 4590 1 11 . 1 1 87 87 TRP C C 87 177.572 177.572 178.199 -0.627 17824 4591 1 11 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.191 0.733 17824 4592 1 11 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.463 -0.217 17824 4593 1 11 . 1 1 87 87 TRP H H 87 7.981 7.981 7.928 0.053 17824 4594 1 11 . 1 1 88 88 LEU N N 88 116.707 116.707 117.095 -0.388 17824 4595 1 11 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.163 0.600 17824 4596 1 11 . 1 1 88 88 LEU C C 88 178.008 178.008 178.891 -0.883 17824 4597 1 11 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.877 -1.149 17824 4598 1 11 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.839 0.357 17824 4599 1 11 . 1 1 88 88 LEU H H 88 8.246 8.246 8.249 -0.003 17824 4600 1 11 . 1 1 89 89 LYS N N 89 117.240 117.240 116.010 1.230 17824 4601 1 11 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.042 0.039 17824 4602 1 11 . 1 1 89 89 LYS C C 89 178.385 178.385 177.883 0.502 17824 4603 1 11 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.662 0.249 17824 4604 1 11 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.525 -0.221 17824 4605 1 11 . 1 1 89 89 LYS H H 89 7.309 7.309 7.616 -0.307 17824 4606 1 11 . 1 1 90 90 THR N N 90 106.446 106.446 110.770 -4.324 17824 4607 1 11 . 1 1 90 90 THR HA H 90 4.383 4.383 4.172 0.211 17824 4608 1 11 . 1 1 90 90 THR C C 90 173.919 173.919 173.920 -0.001 17824 4609 1 11 . 1 1 90 90 THR CA C 90 62.069 62.069 62.445 -0.376 17824 4610 1 11 . 1 1 90 90 THR CB C 90 70.133 70.133 69.721 0.412 17824 4611 1 11 . 1 1 90 90 THR H H 90 7.452 7.452 7.279 0.173 17824 4612 1 11 . 1 1 91 91 ARG N N 91 121.616 121.616 119.764 1.852 17824 4613 1 11 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.385 0.020 17824 4614 1 11 . 1 1 91 91 ARG C C 91 174.754 174.754 174.572 0.182 17824 4615 1 11 . 1 1 91 91 ARG CA C 91 54.833 54.833 54.272 0.561 17824 4616 1 11 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.056 1.829 17824 4617 1 11 . 1 1 91 91 ARG H H 91 7.426 7.426 7.620 -0.194 17824 4618 1 11 . 1 1 92 92 GLN N N 92 118.161 118.161 119.526 -1.365 17824 4619 1 11 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.475 0.233 17824 4620 1 11 . 1 1 92 92 GLN C C 92 176.437 176.437 174.576 1.861 17824 4621 1 11 . 1 1 92 92 GLN CA C 92 55.783 55.783 55.455 0.328 17824 4622 1 11 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.805 -0.847 17824 4623 1 11 . 1 1 92 92 GLN H H 92 8.526 8.526 8.633 -0.107 17824 4624 1 11 . 1 1 93 93 VAL N N 93 109.557 109.557 112.143 -2.586 17824 4625 1 11 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.954 0.111 17824 4626 1 11 . 1 1 93 93 VAL C C 93 174.806 174.806 175.261 -0.455 17824 4627 1 11 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.194 -0.846 17824 4628 1 11 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.924 0.384 17824 4629 1 11 . 1 1 93 93 VAL H H 93 7.083 7.083 7.244 -0.161 17824 4630 1 11 . 1 1 94 94 CYS N N 94 123.889 123.889 122.546 1.343 17824 4631 1 11 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.636 -0.132 17824 4632 1 11 . 1 1 94 94 CYS CA C 94 56.860 56.860 60.928 -4.068 17824 4633 1 11 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.535 4.231 17824 4634 1 11 . 1 1 94 94 CYS H H 94 9.020 9.020 9.269 -0.249 17824 4635 1 11 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.251 -0.171 17824 4636 1 11 . 1 1 95 95 PRO C C 95 177.037 177.037 176.784 0.253 17824 4637 1 11 . 1 1 95 95 PRO CA C 95 63.998 63.998 65.372 -1.374 17824 4638 1 11 . 1 1 95 95 PRO CB C 95 31.662 31.662 31.071 0.591 17824 4639 1 11 . 1 1 96 96 LEU N N 96 118.497 118.497 117.480 1.017 17824 4640 1 11 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.140 0.176 17824 4641 1 11 . 1 1 96 96 LEU C C 96 177.797 177.797 177.918 -0.121 17824 4642 1 11 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.836 -1.024 17824 4643 1 11 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.848 1.226 17824 4644 1 11 . 1 1 96 96 LEU H H 96 8.798 8.798 7.724 1.074 17824 4645 1 11 . 1 1 97 97 ASP N N 97 114.958 114.958 115.539 -0.581 17824 4646 1 11 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.666 0.286 17824 4647 1 11 . 1 1 97 97 ASP C C 97 175.946 175.946 176.459 -0.513 17824 4648 1 11 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.185 -0.473 17824 4649 1 11 . 1 1 97 97 ASP CB C 97 43.183 43.183 41.389 1.794 17824 4650 1 11 . 1 1 97 97 ASP H H 97 7.396 7.396 8.277 -0.881 17824 4651 1 11 . 1 1 98 98 ASN N N 98 115.407 115.407 116.727 -1.320 17824 4652 1 11 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.592 -0.168 17824 4653 1 11 . 1 1 98 98 ASN C C 98 173.934 173.934 173.882 0.052 17824 4654 1 11 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.320 0.982 17824 4655 1 11 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.427 1.569 17824 4656 1 11 . 1 1 98 98 ASN H H 98 8.332 8.332 8.126 0.206 17824 4657 1 11 . 1 1 99 99 ARG N N 99 119.005 119.005 118.289 0.716 17824 4658 1 11 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.586 -0.114 17824 4659 1 11 . 1 1 99 99 ARG C C 99 176.631 176.631 175.014 1.617 17824 4660 1 11 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.606 1.215 17824 4661 1 11 . 1 1 99 99 ARG CB C 99 30.970 30.970 33.057 -2.087 17824 4662 1 11 . 1 1 99 99 ARG H H 99 8.825 8.825 8.217 0.608 17824 4663 1 11 . 1 1 100 100 GLU N N 100 122.676 122.676 123.343 -0.667 17824 4664 1 11 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.375 -0.225 17824 4665 1 11 . 1 1 100 100 GLU C C 100 176.647 176.647 176.094 0.553 17824 4666 1 11 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.329 1.019 17824 4667 1 11 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.390 -0.656 17824 4668 1 11 . 1 1 100 100 GLU H H 100 8.869 8.869 8.784 0.085 17824 4669 1 11 . 1 1 101 101 TRP N N 101 126.288 126.288 130.297 -4.009 17824 4670 1 11 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.697 -0.094 17824 4671 1 11 . 1 1 101 101 TRP C C 101 175.786 175.786 175.331 0.455 17824 4672 1 11 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.678 0.257 17824 4673 1 11 . 1 1 101 101 TRP CB C 101 29.758 29.758 29.929 -0.171 17824 4674 1 11 . 1 1 101 101 TRP H H 101 8.437 8.437 8.294 0.143 17824 4675 1 11 . 1 1 102 102 GLU N N 102 127.912 127.912 124.410 3.502 17824 4676 1 11 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.333 -0.061 17824 4677 1 11 . 1 1 102 102 GLU C C 102 174.791 174.791 174.679 0.112 17824 4678 1 11 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.079 0.645 17824 4679 1 11 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.262 -0.007 17824 4680 1 11 . 1 1 102 102 GLU H H 102 7.319 7.319 7.816 -0.497 17824 4681 1 11 . 1 1 103 103 PHE N N 103 122.445 122.445 122.085 0.360 17824 4682 1 11 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.831 -0.463 17824 4683 1 11 . 1 1 103 103 PHE C C 103 176.419 176.419 176.283 0.136 17824 4684 1 11 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.263 1.808 17824 4685 1 11 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.048 0.826 17824 4686 1 11 . 1 1 103 103 PHE H H 103 8.827 8.827 8.833 -0.006 17824 4687 1 11 . 1 1 104 104 GLN N N 104 122.896 122.896 125.688 -2.792 17824 4688 1 11 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.299 -0.013 17824 4689 1 11 . 1 1 104 104 GLN C C 104 175.487 175.487 176.064 -0.577 17824 4690 1 11 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.910 -1.640 17824 4691 1 11 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.464 0.082 17824 4692 1 11 . 1 1 104 104 GLN H H 104 9.119 9.119 8.985 0.134 17824 4693 1 11 . 1 1 105 105 LYS N N 105 121.917 121.917 116.259 5.658 17824 4694 1 11 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.761 -0.325 17824 4695 1 11 . 1 1 105 105 LYS C C 105 175.219 175.219 174.624 0.595 17824 4696 1 11 . 1 1 105 105 LYS CA C 105 56.282 56.282 54.782 1.500 17824 4697 1 11 . 1 1 105 105 LYS CB C 105 33.804 33.804 36.970 -3.166 17824 4698 1 11 . 1 1 105 105 LYS H H 105 8.308 8.308 7.893 0.415 17824 4699 1 11 . 1 1 106 106 TYR N N 106 121.451 121.451 118.973 2.478 17824 4700 1 11 . 1 1 106 106 TYR HA H 106 4.814 4.814 5.049 -0.235 17824 4701 1 11 . 1 1 106 106 TYR C C 106 176.017 176.017 174.606 1.411 17824 4702 1 11 . 1 1 106 106 TYR CA C 106 57.828 57.828 55.361 2.466 17824 4703 1 11 . 1 1 106 106 TYR CB C 106 39.606 39.606 40.019 -0.413 17824 4704 1 11 . 1 1 106 106 TYR H H 106 8.431 8.431 8.018 0.413 17824 4705 1 11 . 1 1 107 107 GLY N N 107 110.965 110.965 108.472 2.493 17824 4706 1 11 . 1 1 107 107 GLY C C 107 172.723 172.723 173.997 -1.274 17824 4707 1 11 . 1 1 107 107 GLY CA C 107 45.282 45.282 45.507 -0.225 17824 4708 1 11 . 1 1 107 107 GLY H H 107 8.395 8.395 8.330 0.065 17824 4709 1 12 . 1 1 35 35 TRP N N 35 118.681 118.681 123.781 -5.100 17824 4710 1 12 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.784 -0.141 17824 4711 1 12 . 1 1 35 35 TRP C C 35 175.833 175.833 174.755 1.078 17824 4712 1 12 . 1 1 35 35 TRP CA C 35 56.900 56.900 56.163 0.737 17824 4713 1 12 . 1 1 35 35 TRP CB C 35 29.375 29.375 31.565 -2.190 17824 4714 1 12 . 1 1 35 35 TRP H H 35 7.831 7.831 7.727 0.104 17824 4715 1 12 . 1 1 36 36 ASP N N 36 121.178 121.178 120.778 0.400 17824 4716 1 12 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.671 -0.097 17824 4717 1 12 . 1 1 36 36 ASP C C 36 175.821 175.821 176.172 -0.351 17824 4718 1 12 . 1 1 36 36 ASP CA C 36 54.622 54.622 55.580 -0.958 17824 4719 1 12 . 1 1 36 36 ASP CB C 36 41.150 41.150 40.438 0.712 17824 4720 1 12 . 1 1 36 36 ASP H H 36 8.111 8.111 8.505 -0.394 17824 4721 1 12 . 1 1 37 37 ILE N N 37 120.177 120.177 118.203 1.974 17824 4722 1 12 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.482 -0.326 17824 4723 1 12 . 1 1 37 37 ILE C C 37 175.817 175.817 175.094 0.723 17824 4724 1 12 . 1 1 37 37 ILE CA C 37 61.638 61.638 59.571 2.067 17824 4725 1 12 . 1 1 37 37 ILE CB C 37 39.034 39.034 40.828 -1.794 17824 4726 1 12 . 1 1 37 37 ILE H H 37 7.820 7.820 7.816 0.004 17824 4727 1 12 . 1 1 38 38 VAL N N 38 124.844 124.844 122.982 1.862 17824 4728 1 12 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.182 -0.022 17824 4729 1 12 . 1 1 38 38 VAL C C 38 176.102 176.102 176.165 -0.063 17824 4730 1 12 . 1 1 38 38 VAL CA C 38 62.055 62.055 62.082 -0.027 17824 4731 1 12 . 1 1 38 38 VAL CB C 38 32.764 32.764 32.259 0.505 17824 4732 1 12 . 1 1 38 38 VAL H H 38 8.203 8.203 8.307 -0.104 17824 4733 1 12 . 1 1 39 39 VAL N N 39 123.813 123.813 129.433 -5.620 17824 4734 1 12 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.841 0.297 17824 4735 1 12 . 1 1 39 39 VAL C C 39 174.919 174.919 175.403 -0.484 17824 4736 1 12 . 1 1 39 39 VAL CA C 39 62.605 62.605 63.087 -0.482 17824 4737 1 12 . 1 1 39 39 VAL CB C 39 32.825 32.825 29.532 3.293 17824 4738 1 12 . 1 1 39 39 VAL H H 39 8.163 8.163 8.607 -0.445 17824 4739 1 12 . 1 1 40 40 ASP N N 40 122.074 122.074 124.270 -2.196 17824 4740 1 12 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.686 -0.218 17824 4741 1 12 . 1 1 40 40 ASP C C 40 174.408 174.408 174.037 0.371 17824 4742 1 12 . 1 1 40 40 ASP CA C 40 54.389 54.389 53.893 0.496 17824 4743 1 12 . 1 1 40 40 ASP CB C 40 41.155 41.155 42.370 -1.215 17824 4744 1 12 . 1 1 40 40 ASP H H 40 8.154 8.154 8.798 -0.644 17824 4745 1 12 . 1 1 41 41 ASN N N 41 115.983 115.983 116.307 -0.324 17824 4746 1 12 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.859 -0.097 17824 4747 1 12 . 1 1 41 41 ASN C C 41 174.643 174.643 173.338 1.305 17824 4748 1 12 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.201 0.125 17824 4749 1 12 . 1 1 41 41 ASN CB C 41 40.384 40.384 42.690 -2.306 17824 4750 1 12 . 1 1 41 41 ASN H H 41 7.901 7.901 7.592 0.309 17824 4751 1 12 . 1 1 42 42 CYS N N 42 123.612 123.612 120.662 2.950 17824 4752 1 12 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.542 -0.256 17824 4753 1 12 . 1 1 42 42 CYS C C 42 176.756 176.756 175.427 1.329 17824 4754 1 12 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.304 0.496 17824 4755 1 12 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.726 4.047 17824 4756 1 12 . 1 1 42 42 CYS H H 42 8.503 8.503 8.696 -0.193 17824 4757 1 12 . 1 1 43 43 ALA N N 43 132.181 132.181 132.182 -0.001 17824 4758 1 12 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.157 0.008 17824 4759 1 12 . 1 1 43 43 ALA C C 43 177.706 177.706 178.274 -0.568 17824 4760 1 12 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.611 -0.968 17824 4761 1 12 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.554 0.857 17824 4762 1 12 . 1 1 43 43 ALA H H 43 9.493 9.493 9.011 0.482 17824 4763 1 12 . 1 1 44 44 ILE N N 44 116.079 116.079 115.231 0.848 17824 4764 1 12 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.600 0.196 17824 4765 1 12 . 1 1 44 44 ILE C C 44 176.208 176.208 176.943 -0.735 17824 4766 1 12 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.871 0.661 17824 4767 1 12 . 1 1 44 44 ILE CB C 44 39.092 39.092 38.112 0.980 17824 4768 1 12 . 1 1 44 44 ILE H H 44 7.956 7.956 7.803 0.153 17824 4769 1 12 . 1 1 45 45 CYS N N 45 116.456 116.456 111.700 4.756 17824 4770 1 12 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.463 0.561 17824 4771 1 12 . 1 1 45 45 CYS C C 45 175.747 175.747 174.954 0.793 17824 4772 1 12 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.108 2.073 17824 4773 1 12 . 1 1 45 45 CYS CB C 45 32.878 32.878 27.945 4.933 17824 4774 1 12 . 1 1 45 45 CYS H H 45 7.818 7.818 7.619 0.199 17824 4775 1 12 . 1 1 46 46 ARG N N 46 117.125 117.125 121.280 -4.155 17824 4776 1 12 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.129 -0.124 17824 4777 1 12 . 1 1 46 46 ARG C C 46 175.539 175.539 174.574 0.965 17824 4778 1 12 . 1 1 46 46 ARG CA C 46 59.784 59.784 57.150 2.634 17824 4779 1 12 . 1 1 46 46 ARG CB C 46 26.594 26.594 28.143 -1.549 17824 4780 1 12 . 1 1 46 46 ARG H H 46 8.511 8.511 8.016 0.495 17824 4781 1 12 . 1 1 47 47 ASN N N 47 121.377 121.377 115.667 5.710 17824 4782 1 12 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.929 0.083 17824 4783 1 12 . 1 1 47 47 ASN C C 47 175.537 175.537 173.633 1.904 17824 4784 1 12 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.066 -2.045 17824 4785 1 12 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.465 -2.450 17824 4786 1 12 . 1 1 47 47 ASN H H 47 8.720 8.720 7.523 1.197 17824 4787 1 12 . 1 1 48 48 HIS N N 48 122.235 122.235 118.821 3.414 17824 4788 1 12 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.911 -0.412 17824 4789 1 12 . 1 1 48 48 HIS C C 48 177.722 177.722 177.064 0.658 17824 4790 1 12 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.533 1.339 17824 4791 1 12 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.444 -0.724 17824 4792 1 12 . 1 1 48 48 HIS H H 48 9.226 9.226 8.749 0.477 17824 4793 1 12 . 1 1 49 49 ILE N N 49 126.643 126.643 123.406 3.237 17824 4794 1 12 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.711 -0.311 17824 4795 1 12 . 1 1 49 49 ILE CA C 49 61.488 61.488 63.244 -1.756 17824 4796 1 12 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.731 0.240 17824 4797 1 12 . 1 1 49 49 ILE H H 49 7.991 7.991 7.321 0.670 17824 4798 1 12 . 1 1 50 50 MET HA H 50 4.268 4.268 4.785 -0.517 17824 4799 1 12 . 1 1 50 50 MET C C 50 177.236 177.236 174.298 2.938 17824 4800 1 12 . 1 1 50 50 MET CA C 50 54.795 54.795 54.858 -0.063 17824 4801 1 12 . 1 1 50 50 MET CB C 50 31.357 31.357 32.861 -1.504 17824 4802 1 12 . 1 1 51 51 ASP N N 51 121.143 121.143 123.586 -2.443 17824 4803 1 12 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.291 -0.278 17824 4804 1 12 . 1 1 51 51 ASP C C 51 176.770 176.770 174.662 2.108 17824 4805 1 12 . 1 1 51 51 ASP CA C 51 50.103 50.103 53.224 -3.120 17824 4806 1 12 . 1 1 51 51 ASP CB C 51 43.285 43.285 43.728 -0.443 17824 4807 1 12 . 1 1 51 51 ASP H H 51 7.854 7.854 8.083 -0.229 17824 4808 1 12 . 1 1 52 52 LEU N N 52 119.501 119.501 121.547 -2.046 17824 4809 1 12 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.328 0.018 17824 4810 1 12 . 1 1 52 52 LEU C C 52 177.049 177.049 176.317 0.732 17824 4811 1 12 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.407 0.024 17824 4812 1 12 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.729 0.626 17824 4813 1 12 . 1 1 52 52 LEU H H 52 8.484 8.484 8.583 -0.099 17824 4814 1 12 . 1 1 53 53 CYS N N 53 120.790 120.790 117.698 3.092 17824 4815 1 12 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.653 -0.807 17824 4816 1 12 . 1 1 53 53 CYS C C 53 175.247 175.247 176.553 -1.306 17824 4817 1 12 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.033 -0.202 17824 4818 1 12 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.553 3.091 17824 4819 1 12 . 1 1 53 53 CYS H H 53 8.151 8.151 8.182 -0.031 17824 4820 1 12 . 1 1 54 54 ILE N N 54 116.790 116.790 119.888 -3.098 17824 4821 1 12 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.687 0.248 17824 4822 1 12 . 1 1 54 54 ILE C C 54 176.615 176.615 178.010 -1.395 17824 4823 1 12 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.224 -1.318 17824 4824 1 12 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.171 1.863 17824 4825 1 12 . 1 1 54 54 ILE H H 54 6.626 6.626 8.672 -2.046 17824 4826 1 12 . 1 1 55 55 GLU N N 55 123.451 123.451 119.785 3.666 17824 4827 1 12 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.184 -0.030 17824 4828 1 12 . 1 1 55 55 GLU C C 55 179.075 179.075 178.800 0.275 17824 4829 1 12 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.956 0.825 17824 4830 1 12 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.297 1.167 17824 4831 1 12 . 1 1 55 55 GLU H H 55 7.642 7.642 8.637 -0.995 17824 4832 1 12 . 1 1 56 56 CYS N N 56 124.445 124.445 116.963 7.482 17824 4833 1 12 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.195 -0.207 17824 4834 1 12 . 1 1 56 56 CYS C C 56 178.290 178.290 177.240 1.050 17824 4835 1 12 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.593 2.385 17824 4836 1 12 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.235 3.417 17824 4837 1 12 . 1 1 56 56 CYS H H 56 8.676 8.676 8.298 0.378 17824 4838 1 12 . 1 1 57 57 GLN N N 57 117.736 117.736 120.329 -2.593 17824 4839 1 12 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.060 -0.168 17824 4840 1 12 . 1 1 57 57 GLN C C 57 177.428 177.428 177.713 -0.285 17824 4841 1 12 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.471 0.401 17824 4842 1 12 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.268 1.560 17824 4843 1 12 . 1 1 57 57 GLN H H 57 8.419 8.419 8.242 0.177 17824 4844 1 12 . 1 1 58 58 ALA N N 58 119.578 119.578 121.683 -2.105 17824 4845 1 12 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.133 0.144 17824 4846 1 12 . 1 1 58 58 ALA C C 58 178.087 178.087 179.512 -1.425 17824 4847 1 12 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.722 -0.200 17824 4848 1 12 . 1 1 58 58 ALA CB C 58 19.017 19.017 19.130 -0.113 17824 4849 1 12 . 1 1 58 58 ALA H H 58 7.335 7.335 7.853 -0.518 17824 4850 1 12 . 1 1 59 59 ASN N N 59 116.209 116.209 115.100 1.109 17824 4851 1 12 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.550 0.268 17824 4852 1 12 . 1 1 59 59 ASN C C 59 175.372 175.372 176.550 -1.178 17824 4853 1 12 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.902 -2.244 17824 4854 1 12 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.144 -0.035 17824 4855 1 12 . 1 1 59 59 ASN H H 59 7.617 7.617 8.258 -0.641 17824 4856 1 12 . 1 1 60 60 GLN N N 60 120.078 120.078 116.500 3.578 17824 4857 1 12 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.947 0.265 17824 4858 1 12 . 1 1 60 60 GLN C C 60 176.218 176.218 176.564 -0.346 17824 4859 1 12 . 1 1 60 60 GLN CA C 60 57.310 57.310 57.523 -0.213 17824 4860 1 12 . 1 1 60 60 GLN CB C 60 28.650 28.650 27.709 0.941 17824 4861 1 12 . 1 1 60 60 GLN H H 60 8.116 8.116 8.503 -0.387 17824 4862 1 12 . 1 1 61 61 ALA N N 61 122.298 122.298 120.431 1.867 17824 4863 1 12 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.099 0.219 17824 4864 1 12 . 1 1 61 61 ALA C C 61 177.964 177.964 177.836 0.128 17824 4865 1 12 . 1 1 61 61 ALA CA C 61 53.440 53.440 53.902 -0.462 17824 4866 1 12 . 1 1 61 61 ALA CB C 61 18.652 18.652 18.457 0.195 17824 4867 1 12 . 1 1 61 61 ALA H H 61 8.345 8.345 8.438 -0.093 17824 4868 1 12 . 1 1 62 62 SER N N 62 113.232 113.232 113.235 -0.003 17824 4869 1 12 . 1 1 62 62 SER HA H 62 4.454 4.454 4.321 0.133 17824 4870 1 12 . 1 1 62 62 SER C C 62 174.747 174.747 175.337 -0.590 17824 4871 1 12 . 1 1 62 62 SER CA C 62 58.197 58.197 59.688 -1.491 17824 4872 1 12 . 1 1 62 62 SER CB C 62 63.906 63.906 63.803 0.103 17824 4873 1 12 . 1 1 62 62 SER H H 62 8.011 8.011 8.214 -0.203 17824 4874 1 12 . 1 1 63 63 ALA N N 63 125.573 125.573 121.619 3.954 17824 4875 1 12 . 1 1 63 63 ALA HA H 63 4.183 4.183 3.951 0.232 17824 4876 1 12 . 1 1 63 63 ALA C C 63 178.091 178.091 176.987 1.104 17824 4877 1 12 . 1 1 63 63 ALA CA C 63 53.006 53.006 54.036 -1.030 17824 4878 1 12 . 1 1 63 63 ALA CB C 63 18.756 18.756 17.169 1.587 17824 4879 1 12 . 1 1 63 63 ALA H H 63 8.323 8.323 7.849 0.474 17824 4880 1 12 . 1 1 64 64 THR N N 64 111.006 111.006 113.042 -2.036 17824 4881 1 12 . 1 1 64 64 THR HA H 64 4.495 4.495 4.592 -0.097 17824 4882 1 12 . 1 1 64 64 THR C C 64 175.346 175.346 175.107 0.239 17824 4883 1 12 . 1 1 64 64 THR CA C 64 61.903 61.903 61.565 0.338 17824 4884 1 12 . 1 1 64 64 THR CB C 64 69.903 69.903 68.975 0.928 17824 4885 1 12 . 1 1 64 64 THR H H 64 8.071 8.071 7.937 0.134 17824 4886 1 12 . 1 1 65 65 SER N N 65 118.037 118.037 121.894 -3.857 17824 4887 1 12 . 1 1 65 65 SER HA H 65 4.524 4.524 4.499 0.025 17824 4888 1 12 . 1 1 65 65 SER C C 65 175.131 175.131 175.872 -0.741 17824 4889 1 12 . 1 1 65 65 SER CA C 65 59.795 59.795 59.767 0.028 17824 4890 1 12 . 1 1 65 65 SER CB C 65 63.833 63.833 63.785 0.048 17824 4891 1 12 . 1 1 65 65 SER H H 65 8.328 8.328 8.602 -0.274 17824 4892 1 12 . 1 1 66 66 GLU N N 66 121.505 121.505 119.476 2.029 17824 4893 1 12 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.071 0.243 17824 4894 1 12 . 1 1 66 66 GLU C C 66 176.394 176.394 176.225 0.169 17824 4895 1 12 . 1 1 66 66 GLU CA C 66 56.995 56.995 59.617 -2.622 17824 4896 1 12 . 1 1 66 66 GLU CB C 66 30.310 30.310 29.744 0.566 17824 4897 1 12 . 1 1 66 66 GLU H H 66 8.368 8.368 8.765 -0.397 17824 4898 1 12 . 1 1 67 67 GLU N N 67 119.409 119.409 113.132 6.277 17824 4899 1 12 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.669 -0.378 17824 4900 1 12 . 1 1 67 67 GLU C C 67 175.079 175.079 174.778 0.301 17824 4901 1 12 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.876 1.604 17824 4902 1 12 . 1 1 67 67 GLU CB C 67 29.931 29.931 31.024 -1.093 17824 4903 1 12 . 1 1 67 67 GLU H H 67 8.074 8.074 7.516 0.558 17824 4904 1 12 . 1 1 68 68 CYS N N 68 126.937 126.937 123.474 3.463 17824 4905 1 12 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.677 -0.389 17824 4906 1 12 . 1 1 68 68 CYS C C 68 174.423 174.423 174.540 -0.117 17824 4907 1 12 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.142 -0.333 17824 4908 1 12 . 1 1 68 68 CYS CB C 68 28.670 28.670 27.927 0.743 17824 4909 1 12 . 1 1 68 68 CYS H H 68 8.340 8.340 8.645 -0.305 17824 4910 1 12 . 1 1 69 69 THR N N 69 116.442 116.442 109.669 6.773 17824 4911 1 12 . 1 1 69 69 THR HA H 69 4.891 4.891 4.661 0.230 17824 4912 1 12 . 1 1 69 69 THR C C 69 175.561 175.561 172.999 2.562 17824 4913 1 12 . 1 1 69 69 THR CA C 69 60.817 60.817 62.033 -1.216 17824 4914 1 12 . 1 1 69 69 THR CB C 69 71.654 71.654 70.778 0.876 17824 4915 1 12 . 1 1 69 69 THR H H 69 7.497 7.497 7.536 -0.039 17824 4916 1 12 . 1 1 70 70 VAL N N 70 123.637 123.637 123.763 -0.126 17824 4917 1 12 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.807 -0.472 17824 4918 1 12 . 1 1 70 70 VAL C C 70 174.368 174.368 173.309 1.059 17824 4919 1 12 . 1 1 70 70 VAL CA C 70 62.942 62.942 59.828 3.114 17824 4920 1 12 . 1 1 70 70 VAL CB C 70 33.897 33.897 36.059 -2.162 17824 4921 1 12 . 1 1 70 70 VAL H H 70 8.862 8.862 8.868 -0.006 17824 4922 1 12 . 1 1 71 71 ALA N N 71 128.540 128.540 127.207 1.333 17824 4923 1 12 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.644 0.642 17824 4924 1 12 . 1 1 71 71 ALA C C 71 174.520 174.520 175.098 -0.578 17824 4925 1 12 . 1 1 71 71 ALA CA C 71 50.772 50.772 51.286 -0.514 17824 4926 1 12 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.673 1.302 17824 4927 1 12 . 1 1 71 71 ALA H H 71 9.247 9.247 8.781 0.466 17824 4928 1 12 . 1 1 72 72 TRP N N 72 120.167 120.167 121.586 -1.419 17824 4929 1 12 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.171 0.249 17824 4930 1 12 . 1 1 72 72 TRP C C 72 177.182 177.182 176.699 0.483 17824 4931 1 12 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.381 1.382 17824 4932 1 12 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.966 0.664 17824 4933 1 12 . 1 1 72 72 TRP H H 72 9.065 9.065 9.066 -0.001 17824 4934 1 12 . 1 1 73 73 GLY N N 73 110.755 110.755 108.246 2.509 17824 4935 1 12 . 1 1 73 73 GLY C C 73 177.914 177.914 174.782 3.132 17824 4936 1 12 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.412 0.755 17824 4937 1 12 . 1 1 73 73 GLY H H 73 9.128 9.128 9.542 -0.414 17824 4938 1 12 . 1 1 74 74 VAL N N 74 122.747 122.747 126.150 -3.403 17824 4939 1 12 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.722 0.114 17824 4940 1 12 . 1 1 74 74 VAL C C 74 176.014 176.014 176.482 -0.468 17824 4941 1 12 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.529 -0.536 17824 4942 1 12 . 1 1 74 74 VAL CB C 74 31.720 31.720 32.030 -0.310 17824 4943 1 12 . 1 1 74 74 VAL H H 74 8.299 8.299 8.373 -0.074 17824 4944 1 12 . 1 1 75 75 CYS N N 75 116.720 116.720 118.837 -2.117 17824 4945 1 12 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.351 -0.056 17824 4946 1 12 . 1 1 75 75 CYS C C 75 174.359 174.359 174.480 -0.121 17824 4947 1 12 . 1 1 75 75 CYS CA C 75 58.217 58.217 59.038 -0.821 17824 4948 1 12 . 1 1 75 75 CYS CB C 75 29.701 29.701 24.969 4.732 17824 4949 1 12 . 1 1 75 75 CYS H H 75 7.567 7.567 8.230 -0.663 17824 4950 1 12 . 1 1 76 76 ASN N N 76 114.522 114.522 118.797 -4.275 17824 4951 1 12 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.303 0.131 17824 4952 1 12 . 1 1 76 76 ASN C C 76 173.726 173.726 173.504 0.222 17824 4953 1 12 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.236 1.416 17824 4954 1 12 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.751 0.197 17824 4955 1 12 . 1 1 76 76 ASN H H 76 8.060 8.060 8.006 0.054 17824 4956 1 12 . 1 1 77 77 HIS N N 77 117.754 117.754 116.488 1.266 17824 4957 1 12 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.760 -0.043 17824 4958 1 12 . 1 1 77 77 HIS C C 77 172.650 172.650 173.056 -0.406 17824 4959 1 12 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.532 3.295 17824 4960 1 12 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.087 -1.198 17824 4961 1 12 . 1 1 77 77 HIS H H 77 7.797 7.797 7.642 0.155 17824 4962 1 12 . 1 1 78 78 ALA N N 78 122.889 122.889 122.645 0.244 17824 4963 1 12 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.348 -0.399 17824 4964 1 12 . 1 1 78 78 ALA C C 78 174.873 174.873 174.945 -0.072 17824 4965 1 12 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.627 -2.098 17824 4966 1 12 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.869 -1.792 17824 4967 1 12 . 1 1 78 78 ALA H H 78 7.811 7.811 8.365 -0.554 17824 4968 1 12 . 1 1 79 79 PHE N N 79 113.618 113.618 119.904 -6.286 17824 4969 1 12 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.722 -0.023 17824 4970 1 12 . 1 1 79 79 PHE C C 79 176.138 176.138 174.741 1.397 17824 4971 1 12 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.698 -1.349 17824 4972 1 12 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.521 2.065 17824 4973 1 12 . 1 1 79 79 PHE H H 79 8.377 8.377 8.736 -0.359 17824 4974 1 12 . 1 1 80 80 HIS N N 80 118.823 118.823 120.177 -1.354 17824 4975 1 12 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.871 -0.042 17824 4976 1 12 . 1 1 80 80 HIS C C 80 177.268 177.268 176.387 0.881 17824 4977 1 12 . 1 1 80 80 HIS CA C 80 60.949 60.949 55.875 5.074 17824 4978 1 12 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.784 -1.049 17824 4979 1 12 . 1 1 80 80 HIS H H 80 8.429 8.429 8.371 0.058 17824 4980 1 12 . 1 1 81 81 PHE N N 81 129.040 129.040 126.418 2.622 17824 4981 1 12 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.285 0.054 17824 4982 1 12 . 1 1 81 81 PHE C C 81 178.911 178.911 176.929 1.982 17824 4983 1 12 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.456 -0.618 17824 4984 1 12 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.355 -0.299 17824 4985 1 12 . 1 1 81 81 PHE H H 81 9.881 9.881 8.705 1.176 17824 4986 1 12 . 1 1 82 82 HIS N N 82 120.611 120.611 118.770 1.841 17824 4987 1 12 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.024 0.262 17824 4988 1 12 . 1 1 82 82 HIS C C 82 177.694 177.694 176.796 0.898 17824 4989 1 12 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.825 -0.921 17824 4990 1 12 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.870 2.963 17824 4991 1 12 . 1 1 82 82 HIS H H 82 10.457 10.457 8.144 2.313 17824 4992 1 12 . 1 1 83 83 CYS N N 83 117.628 117.628 117.432 0.196 17824 4993 1 12 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.111 0.043 17824 4994 1 12 . 1 1 83 83 CYS C C 83 177.768 177.768 177.005 0.763 17824 4995 1 12 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.121 0.847 17824 4996 1 12 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.269 2.635 17824 4997 1 12 . 1 1 83 83 CYS H H 83 6.933 6.933 8.308 -1.375 17824 4998 1 12 . 1 1 84 84 ILE N N 84 119.139 119.139 120.582 -1.443 17824 4999 1 12 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.449 0.393 17824 5000 1 12 . 1 1 84 84 ILE C C 84 175.705 175.705 177.048 -1.343 17824 5001 1 12 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.510 -3.633 17824 5002 1 12 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.735 0.342 17824 5003 1 12 . 1 1 84 84 ILE H H 84 8.290 8.290 8.863 -0.573 17824 5004 1 12 . 1 1 85 85 SER N N 85 118.224 118.224 116.706 1.518 17824 5005 1 12 . 1 1 85 85 SER HA H 85 3.995 3.995 3.987 0.008 17824 5006 1 12 . 1 1 85 85 SER C C 85 176.097 176.097 176.337 -0.240 17824 5007 1 12 . 1 1 85 85 SER CA C 85 62.841 62.841 62.563 0.278 17824 5008 1 12 . 1 1 85 85 SER CB C 85 62.009 62.009 62.371 -0.362 17824 5009 1 12 . 1 1 85 85 SER H H 85 8.157 8.157 8.245 -0.088 17824 5010 1 12 . 1 1 86 86 ARG N N 86 120.496 120.496 122.813 -2.317 17824 5011 1 12 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.048 -0.024 17824 5012 1 12 . 1 1 86 86 ARG C C 86 179.382 179.382 178.090 1.292 17824 5013 1 12 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.636 1.229 17824 5014 1 12 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.590 0.271 17824 5015 1 12 . 1 1 86 86 ARG H H 86 7.174 7.174 7.467 -0.293 17824 5016 1 12 . 1 1 87 87 TRP N N 87 123.951 123.951 120.542 3.409 17824 5017 1 12 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.207 -0.048 17824 5018 1 12 . 1 1 87 87 TRP C C 87 177.572 177.572 178.123 -0.551 17824 5019 1 12 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.142 0.782 17824 5020 1 12 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.605 -0.359 17824 5021 1 12 . 1 1 87 87 TRP H H 87 7.981 7.981 8.055 -0.074 17824 5022 1 12 . 1 1 88 88 LEU N N 88 116.707 116.707 117.834 -1.127 17824 5023 1 12 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.256 0.507 17824 5024 1 12 . 1 1 88 88 LEU C C 88 178.008 178.008 178.947 -0.939 17824 5025 1 12 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.878 -1.150 17824 5026 1 12 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.813 0.383 17824 5027 1 12 . 1 1 88 88 LEU H H 88 8.246 8.246 8.277 -0.031 17824 5028 1 12 . 1 1 89 89 LYS N N 89 117.240 117.240 116.852 0.388 17824 5029 1 12 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.032 0.049 17824 5030 1 12 . 1 1 89 89 LYS C C 89 178.385 178.385 177.808 0.577 17824 5031 1 12 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.607 0.304 17824 5032 1 12 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.368 -0.064 17824 5033 1 12 . 1 1 89 89 LYS H H 89 7.309 7.309 8.114 -0.805 17824 5034 1 12 . 1 1 90 90 THR N N 90 106.446 106.446 111.113 -4.667 17824 5035 1 12 . 1 1 90 90 THR HA H 90 4.383 4.383 4.126 0.257 17824 5036 1 12 . 1 1 90 90 THR C C 90 173.919 173.919 174.431 -0.512 17824 5037 1 12 . 1 1 90 90 THR CA C 90 62.069 62.069 62.390 -0.321 17824 5038 1 12 . 1 1 90 90 THR CB C 90 70.133 70.133 69.642 0.491 17824 5039 1 12 . 1 1 90 90 THR H H 90 7.452 7.452 7.462 -0.010 17824 5040 1 12 . 1 1 91 91 ARG N N 91 121.616 121.616 119.762 1.854 17824 5041 1 12 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.410 -0.005 17824 5042 1 12 . 1 1 91 91 ARG C C 91 174.754 174.754 175.224 -0.470 17824 5043 1 12 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.249 1.584 17824 5044 1 12 . 1 1 91 91 ARG CB C 91 33.885 33.885 31.799 2.086 17824 5045 1 12 . 1 1 91 91 ARG H H 91 7.426 7.426 7.796 -0.370 17824 5046 1 12 . 1 1 92 92 GLN N N 92 118.161 118.161 120.194 -2.033 17824 5047 1 12 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.308 0.400 17824 5048 1 12 . 1 1 92 92 GLN C C 92 176.437 176.437 174.863 1.574 17824 5049 1 12 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.563 -1.780 17824 5050 1 12 . 1 1 92 92 GLN CB C 92 28.958 28.958 30.003 -1.045 17824 5051 1 12 . 1 1 92 92 GLN H H 92 8.526 8.526 8.642 -0.116 17824 5052 1 12 . 1 1 93 93 VAL N N 93 109.557 109.557 111.936 -2.379 17824 5053 1 12 . 1 1 93 93 VAL HA H 93 5.065 5.065 5.059 0.006 17824 5054 1 12 . 1 1 93 93 VAL C C 93 174.806 174.806 175.444 -0.638 17824 5055 1 12 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.111 -0.763 17824 5056 1 12 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.498 0.810 17824 5057 1 12 . 1 1 93 93 VAL H H 93 7.083 7.083 7.188 -0.105 17824 5058 1 12 . 1 1 94 94 CYS N N 94 123.889 123.889 122.629 1.260 17824 5059 1 12 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.553 -0.049 17824 5060 1 12 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.196 -4.336 17824 5061 1 12 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.550 4.215 17824 5062 1 12 . 1 1 94 94 CYS H H 94 9.020 9.020 9.303 -0.283 17824 5063 1 12 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.019 0.061 17824 5064 1 12 . 1 1 95 95 PRO C C 95 177.037 177.037 176.525 0.512 17824 5065 1 12 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.428 -0.430 17824 5066 1 12 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.905 0.757 17824 5067 1 12 . 1 1 96 96 LEU N N 96 118.497 118.497 116.443 2.054 17824 5068 1 12 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.329 -0.013 17824 5069 1 12 . 1 1 96 96 LEU C C 96 177.797 177.797 177.381 0.416 17824 5070 1 12 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.418 -0.606 17824 5071 1 12 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.880 1.194 17824 5072 1 12 . 1 1 96 96 LEU H H 96 8.798 8.798 7.720 1.078 17824 5073 1 12 . 1 1 97 97 ASP N N 97 114.958 114.958 117.802 -2.844 17824 5074 1 12 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.715 0.237 17824 5075 1 12 . 1 1 97 97 ASP C C 97 175.946 175.946 176.343 -0.397 17824 5076 1 12 . 1 1 97 97 ASP CA C 97 54.712 54.712 54.357 0.355 17824 5077 1 12 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.991 2.192 17824 5078 1 12 . 1 1 97 97 ASP H H 97 7.396 7.396 8.334 -0.938 17824 5079 1 12 . 1 1 98 98 ASN N N 98 115.407 115.407 114.656 0.751 17824 5080 1 12 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.517 -0.093 17824 5081 1 12 . 1 1 98 98 ASN C C 98 173.934 173.934 174.087 -0.153 17824 5082 1 12 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.579 0.723 17824 5083 1 12 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.199 1.797 17824 5084 1 12 . 1 1 98 98 ASN H H 98 8.332 8.332 8.270 0.062 17824 5085 1 12 . 1 1 99 99 ARG N N 99 119.005 119.005 117.838 1.167 17824 5086 1 12 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.586 -0.114 17824 5087 1 12 . 1 1 99 99 ARG C C 99 176.631 176.631 175.376 1.255 17824 5088 1 12 . 1 1 99 99 ARG CA C 99 55.821 55.821 53.675 2.146 17824 5089 1 12 . 1 1 99 99 ARG CB C 99 30.970 30.970 31.962 -0.992 17824 5090 1 12 . 1 1 99 99 ARG H H 99 8.825 8.825 7.945 0.880 17824 5091 1 12 . 1 1 100 100 GLU N N 100 122.676 122.676 122.895 -0.219 17824 5092 1 12 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.274 -0.124 17824 5093 1 12 . 1 1 100 100 GLU C C 100 176.647 176.647 176.006 0.641 17824 5094 1 12 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.413 0.935 17824 5095 1 12 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.269 -0.535 17824 5096 1 12 . 1 1 100 100 GLU H H 100 8.869 8.869 8.733 0.136 17824 5097 1 12 . 1 1 101 101 TRP N N 101 126.288 126.288 129.846 -3.558 17824 5098 1 12 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.677 -0.074 17824 5099 1 12 . 1 1 101 101 TRP C C 101 175.786 175.786 175.168 0.618 17824 5100 1 12 . 1 1 101 101 TRP CA C 101 57.935 57.935 58.020 -0.085 17824 5101 1 12 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.197 -0.439 17824 5102 1 12 . 1 1 101 101 TRP H H 101 8.437 8.437 8.341 0.096 17824 5103 1 12 . 1 1 102 102 GLU N N 102 127.912 127.912 124.343 3.569 17824 5104 1 12 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.373 -0.101 17824 5105 1 12 . 1 1 102 102 GLU C C 102 174.791 174.791 174.289 0.502 17824 5106 1 12 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.057 0.666 17824 5107 1 12 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.288 -0.033 17824 5108 1 12 . 1 1 102 102 GLU H H 102 7.319 7.319 7.480 -0.161 17824 5109 1 12 . 1 1 103 103 PHE N N 103 122.445 122.445 122.921 -0.476 17824 5110 1 12 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.702 -0.334 17824 5111 1 12 . 1 1 103 103 PHE C C 103 176.419 176.419 176.006 0.413 17824 5112 1 12 . 1 1 103 103 PHE CA C 103 60.070 60.070 59.354 0.716 17824 5113 1 12 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.636 0.238 17824 5114 1 12 . 1 1 103 103 PHE H H 103 8.827 8.827 8.763 0.064 17824 5115 1 12 . 1 1 104 104 GLN N N 104 122.896 122.896 126.805 -3.909 17824 5116 1 12 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.411 -0.125 17824 5117 1 12 . 1 1 104 104 GLN C C 104 175.487 175.487 175.322 0.165 17824 5118 1 12 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.362 -1.093 17824 5119 1 12 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.679 -0.133 17824 5120 1 12 . 1 1 104 104 GLN H H 104 9.119 9.119 9.111 0.008 17824 5121 1 12 . 1 1 105 105 LYS N N 105 121.917 121.917 116.033 5.884 17824 5122 1 12 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.538 -0.102 17824 5123 1 12 . 1 1 105 105 LYS C C 105 175.219 175.219 175.388 -0.169 17824 5124 1 12 . 1 1 105 105 LYS CA C 105 56.282 56.282 55.854 0.428 17824 5125 1 12 . 1 1 105 105 LYS CB C 105 33.804 33.804 34.785 -0.981 17824 5126 1 12 . 1 1 105 105 LYS H H 105 8.308 8.308 7.790 0.518 17824 5127 1 12 . 1 1 106 106 TYR N N 106 121.451 121.451 119.666 1.785 17824 5128 1 12 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.547 0.267 17824 5129 1 12 . 1 1 106 106 TYR C C 106 176.017 176.017 174.561 1.456 17824 5130 1 12 . 1 1 106 106 TYR CA C 106 57.828 57.828 58.133 -0.305 17824 5131 1 12 . 1 1 106 106 TYR CB C 106 39.606 39.606 38.760 0.846 17824 5132 1 12 . 1 1 106 106 TYR H H 106 8.431 8.431 8.541 -0.110 17824 5133 1 12 . 1 1 107 107 GLY N N 107 110.965 110.965 106.395 4.570 17824 5134 1 12 . 1 1 107 107 GLY C C 107 172.723 172.723 173.011 -0.288 17824 5135 1 12 . 1 1 107 107 GLY CA C 107 45.282 45.282 43.603 1.679 17824 5136 1 12 . 1 1 107 107 GLY H H 107 8.395 8.395 7.295 1.100 17824 5137 1 13 . 1 1 35 35 TRP N N 35 118.681 118.681 122.292 -3.611 17824 5138 1 13 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.894 -0.251 17824 5139 1 13 . 1 1 35 35 TRP C C 35 175.833 175.833 174.918 0.915 17824 5140 1 13 . 1 1 35 35 TRP CA C 35 56.900 56.900 54.685 2.215 17824 5141 1 13 . 1 1 35 35 TRP CB C 35 29.375 29.375 30.218 -0.843 17824 5142 1 13 . 1 1 35 35 TRP H H 35 7.831 7.831 7.252 0.579 17824 5143 1 13 . 1 1 36 36 ASP N N 36 121.178 121.178 120.253 0.925 17824 5144 1 13 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.772 -0.198 17824 5145 1 13 . 1 1 36 36 ASP C C 36 175.821 175.821 176.854 -1.033 17824 5146 1 13 . 1 1 36 36 ASP CA C 36 54.622 54.622 52.637 1.985 17824 5147 1 13 . 1 1 36 36 ASP CB C 36 41.150 41.150 43.764 -2.614 17824 5148 1 13 . 1 1 36 36 ASP H H 36 8.111 8.111 8.503 -0.392 17824 5149 1 13 . 1 1 37 37 ILE N N 37 120.177 120.177 117.384 2.793 17824 5150 1 13 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.318 -0.162 17824 5151 1 13 . 1 1 37 37 ILE C C 37 175.817 175.817 175.041 0.776 17824 5152 1 13 . 1 1 37 37 ILE CA C 37 61.638 61.638 61.153 0.485 17824 5153 1 13 . 1 1 37 37 ILE CB C 37 39.034 39.034 37.859 1.175 17824 5154 1 13 . 1 1 37 37 ILE H H 37 7.820 7.820 8.102 -0.282 17824 5155 1 13 . 1 1 38 38 VAL N N 38 124.844 124.844 121.409 3.435 17824 5156 1 13 . 1 1 38 38 VAL HA H 38 4.160 4.160 3.919 0.241 17824 5157 1 13 . 1 1 38 38 VAL C C 38 176.102 176.102 177.005 -0.903 17824 5158 1 13 . 1 1 38 38 VAL CA C 38 62.055 62.055 62.775 -0.720 17824 5159 1 13 . 1 1 38 38 VAL CB C 38 32.764 32.764 32.215 0.549 17824 5160 1 13 . 1 1 38 38 VAL H H 38 8.203 8.203 7.621 0.582 17824 5161 1 13 . 1 1 39 39 VAL N N 39 123.813 123.813 125.967 -2.154 17824 5162 1 13 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.837 0.301 17824 5163 1 13 . 1 1 39 39 VAL C C 39 174.919 174.919 175.825 -0.906 17824 5164 1 13 . 1 1 39 39 VAL CA C 39 62.605 62.605 63.574 -0.969 17824 5165 1 13 . 1 1 39 39 VAL CB C 39 32.825 32.825 32.098 0.727 17824 5166 1 13 . 1 1 39 39 VAL H H 39 8.163 8.163 8.452 -0.289 17824 5167 1 13 . 1 1 40 40 ASP N N 40 122.074 122.074 116.722 5.352 17824 5168 1 13 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.518 -0.050 17824 5169 1 13 . 1 1 40 40 ASP C C 40 174.408 174.408 175.100 -0.692 17824 5170 1 13 . 1 1 40 40 ASP CA C 40 54.389 54.389 54.943 -0.554 17824 5171 1 13 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.652 0.503 17824 5172 1 13 . 1 1 40 40 ASP H H 40 8.154 8.154 8.320 -0.166 17824 5173 1 13 . 1 1 41 41 ASN N N 41 115.983 115.983 116.313 -0.330 17824 5174 1 13 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.898 -0.136 17824 5175 1 13 . 1 1 41 41 ASN C C 41 174.643 174.643 173.473 1.170 17824 5176 1 13 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.059 0.268 17824 5177 1 13 . 1 1 41 41 ASN CB C 41 40.384 40.384 42.084 -1.700 17824 5178 1 13 . 1 1 41 41 ASN H H 41 7.901 7.901 7.285 0.616 17824 5179 1 13 . 1 1 42 42 CYS N N 42 123.612 123.612 122.447 1.165 17824 5180 1 13 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.453 -0.167 17824 5181 1 13 . 1 1 42 42 CYS C C 42 176.756 176.756 175.557 1.199 17824 5182 1 13 . 1 1 42 42 CYS CA C 42 58.800 58.800 59.303 -0.503 17824 5183 1 13 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.502 4.271 17824 5184 1 13 . 1 1 42 42 CYS H H 42 8.503 8.503 8.764 -0.261 17824 5185 1 13 . 1 1 43 43 ALA N N 43 132.181 132.181 131.144 1.037 17824 5186 1 13 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.267 -0.102 17824 5187 1 13 . 1 1 43 43 ALA C C 43 177.706 177.706 178.184 -0.478 17824 5188 1 13 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.504 -0.861 17824 5189 1 13 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.564 0.848 17824 5190 1 13 . 1 1 43 43 ALA H H 43 9.493 9.493 8.862 0.631 17824 5191 1 13 . 1 1 44 44 ILE N N 44 116.079 116.079 116.170 -0.091 17824 5192 1 13 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.522 0.274 17824 5193 1 13 . 1 1 44 44 ILE C C 44 176.208 176.208 176.831 -0.623 17824 5194 1 13 . 1 1 44 44 ILE CA C 44 64.532 64.532 64.440 0.092 17824 5195 1 13 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.936 1.156 17824 5196 1 13 . 1 1 44 44 ILE H H 44 7.956 7.956 7.818 0.138 17824 5197 1 13 . 1 1 45 45 CYS N N 45 116.456 116.456 112.355 4.101 17824 5198 1 13 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.698 0.326 17824 5199 1 13 . 1 1 45 45 CYS C C 45 175.747 175.747 175.329 0.418 17824 5200 1 13 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.285 1.896 17824 5201 1 13 . 1 1 45 45 CYS CB C 45 32.878 32.878 28.614 4.264 17824 5202 1 13 . 1 1 45 45 CYS H H 45 7.818 7.818 7.864 -0.046 17824 5203 1 13 . 1 1 46 46 ARG N N 46 117.125 117.125 121.373 -4.248 17824 5204 1 13 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.095 -0.090 17824 5205 1 13 . 1 1 46 46 ARG C C 46 175.539 175.539 174.246 1.293 17824 5206 1 13 . 1 1 46 46 ARG CA C 46 59.784 59.784 57.196 2.588 17824 5207 1 13 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.477 -0.884 17824 5208 1 13 . 1 1 46 46 ARG H H 46 8.511 8.511 8.117 0.394 17824 5209 1 13 . 1 1 47 47 ASN N N 47 121.377 121.377 116.436 4.941 17824 5210 1 13 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.926 0.086 17824 5211 1 13 . 1 1 47 47 ASN C C 47 175.537 175.537 174.031 1.506 17824 5212 1 13 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.945 -2.923 17824 5213 1 13 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.414 -2.399 17824 5214 1 13 . 1 1 47 47 ASN H H 47 8.720 8.720 7.684 1.036 17824 5215 1 13 . 1 1 48 48 HIS N N 48 122.235 122.235 120.514 1.721 17824 5216 1 13 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.305 0.194 17824 5217 1 13 . 1 1 48 48 HIS C C 48 177.722 177.722 175.303 2.419 17824 5218 1 13 . 1 1 48 48 HIS CA C 48 58.872 58.872 58.003 0.869 17824 5219 1 13 . 1 1 48 48 HIS CB C 48 30.720 30.720 30.718 0.002 17824 5220 1 13 . 1 1 48 48 HIS H H 48 9.226 9.226 8.672 0.554 17824 5221 1 13 . 1 1 49 49 ILE N N 49 126.643 126.643 124.027 2.616 17824 5222 1 13 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.903 -0.503 17824 5223 1 13 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.103 -0.615 17824 5224 1 13 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.884 0.087 17824 5225 1 13 . 1 1 49 49 ILE H H 49 7.991 7.991 7.978 0.013 17824 5226 1 13 . 1 1 50 50 MET HA H 50 4.268 4.268 4.268 -0.000 17824 5227 1 13 . 1 1 50 50 MET C C 50 177.236 177.236 174.545 2.691 17824 5228 1 13 . 1 1 50 50 MET CA C 50 54.795 54.795 56.937 -2.142 17824 5229 1 13 . 1 1 50 50 MET CB C 50 31.357 31.357 30.055 1.302 17824 5230 1 13 . 1 1 51 51 ASP N N 51 121.143 121.143 119.182 1.961 17824 5231 1 13 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.494 -0.481 17824 5232 1 13 . 1 1 51 51 ASP C C 51 176.770 176.770 175.108 1.662 17824 5233 1 13 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.453 -2.350 17824 5234 1 13 . 1 1 51 51 ASP CB C 51 43.285 43.285 44.886 -1.601 17824 5235 1 13 . 1 1 51 51 ASP H H 51 7.854 7.854 8.180 -0.326 17824 5236 1 13 . 1 1 52 52 LEU N N 52 119.501 119.501 121.510 -2.009 17824 5237 1 13 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.236 0.110 17824 5238 1 13 . 1 1 52 52 LEU C C 52 177.049 177.049 176.324 0.725 17824 5239 1 13 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.711 -0.280 17824 5240 1 13 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.633 0.722 17824 5241 1 13 . 1 1 52 52 LEU H H 52 8.484 8.484 8.636 -0.152 17824 5242 1 13 . 1 1 53 53 CYS N N 53 120.790 120.790 119.283 1.507 17824 5243 1 13 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.534 -0.688 17824 5244 1 13 . 1 1 53 53 CYS C C 53 175.247 175.247 176.736 -1.489 17824 5245 1 13 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.420 -0.589 17824 5246 1 13 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.267 3.377 17824 5247 1 13 . 1 1 53 53 CYS H H 53 8.151 8.151 8.307 -0.156 17824 5248 1 13 . 1 1 54 54 ILE N N 54 116.790 116.790 120.124 -3.334 17824 5249 1 13 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.783 0.152 17824 5250 1 13 . 1 1 54 54 ILE C C 54 176.615 176.615 177.470 -0.855 17824 5251 1 13 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.588 -1.682 17824 5252 1 13 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.738 1.296 17824 5253 1 13 . 1 1 54 54 ILE H H 54 6.626 6.626 8.823 -2.197 17824 5254 1 13 . 1 1 55 55 GLU N N 55 123.451 123.451 119.109 4.342 17824 5255 1 13 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.278 -0.124 17824 5256 1 13 . 1 1 55 55 GLU C C 55 179.075 179.075 178.482 0.593 17824 5257 1 13 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.540 1.241 17824 5258 1 13 . 1 1 55 55 GLU CB C 55 30.464 30.464 28.927 1.537 17824 5259 1 13 . 1 1 55 55 GLU H H 55 7.642 7.642 8.463 -0.821 17824 5260 1 13 . 1 1 56 56 CYS N N 56 124.445 124.445 118.038 6.407 17824 5261 1 13 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.190 -0.202 17824 5262 1 13 . 1 1 56 56 CYS C C 56 178.290 178.290 177.113 1.177 17824 5263 1 13 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.935 2.043 17824 5264 1 13 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.226 3.426 17824 5265 1 13 . 1 1 56 56 CYS H H 56 8.676 8.676 8.266 0.410 17824 5266 1 13 . 1 1 57 57 GLN N N 57 117.736 117.736 120.925 -3.189 17824 5267 1 13 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.022 -0.130 17824 5268 1 13 . 1 1 57 57 GLN C C 57 177.428 177.428 177.429 -0.001 17824 5269 1 13 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.585 0.287 17824 5270 1 13 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.581 1.247 17824 5271 1 13 . 1 1 57 57 GLN H H 57 8.419 8.419 8.494 -0.075 17824 5272 1 13 . 1 1 58 58 ALA N N 58 119.578 119.578 121.803 -2.225 17824 5273 1 13 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.128 0.149 17824 5274 1 13 . 1 1 58 58 ALA C C 58 178.087 178.087 179.472 -1.385 17824 5275 1 13 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.764 -0.242 17824 5276 1 13 . 1 1 58 58 ALA CB C 58 19.017 19.017 19.103 -0.086 17824 5277 1 13 . 1 1 58 58 ALA H H 58 7.335 7.335 7.865 -0.530 17824 5278 1 13 . 1 1 59 59 ASN N N 59 116.209 116.209 114.892 1.317 17824 5279 1 13 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.565 0.253 17824 5280 1 13 . 1 1 59 59 ASN C C 59 175.372 175.372 175.548 -0.176 17824 5281 1 13 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.183 -1.525 17824 5282 1 13 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.238 -0.129 17824 5283 1 13 . 1 1 59 59 ASN H H 59 7.617 7.617 8.305 -0.688 17824 5284 1 13 . 1 1 60 60 GLN N N 60 120.078 120.078 117.767 2.311 17824 5285 1 13 . 1 1 60 60 GLN HA H 60 4.212 4.212 4.020 0.192 17824 5286 1 13 . 1 1 60 60 GLN C C 60 176.218 176.218 174.177 2.041 17824 5287 1 13 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.142 1.168 17824 5288 1 13 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.898 1.752 17824 5289 1 13 . 1 1 60 60 GLN H H 60 8.116 8.116 8.017 0.099 17824 5290 1 13 . 1 1 61 61 ALA N N 61 122.298 122.298 127.372 -5.074 17824 5291 1 13 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.350 -0.032 17824 5292 1 13 . 1 1 61 61 ALA C C 61 177.964 177.964 177.595 0.369 17824 5293 1 13 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.237 1.203 17824 5294 1 13 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.855 -1.203 17824 5295 1 13 . 1 1 61 61 ALA H H 61 8.345 8.345 7.964 0.381 17824 5296 1 13 . 1 1 62 62 SER N N 62 113.232 113.232 118.985 -5.753 17824 5297 1 13 . 1 1 62 62 SER HA H 62 4.454 4.454 4.430 0.024 17824 5298 1 13 . 1 1 62 62 SER C C 62 174.747 174.747 174.075 0.672 17824 5299 1 13 . 1 1 62 62 SER CA C 62 58.197 58.197 59.034 -0.837 17824 5300 1 13 . 1 1 62 62 SER CB C 62 63.906 63.906 61.748 2.158 17824 5301 1 13 . 1 1 62 62 SER H H 62 8.011 8.011 8.617 -0.606 17824 5302 1 13 . 1 1 63 63 ALA N N 63 125.573 125.573 128.856 -3.283 17824 5303 1 13 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.566 -0.383 17824 5304 1 13 . 1 1 63 63 ALA C C 63 178.091 178.091 176.027 2.064 17824 5305 1 13 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.576 0.430 17824 5306 1 13 . 1 1 63 63 ALA CB C 63 18.756 18.756 20.436 -1.680 17824 5307 1 13 . 1 1 63 63 ALA H H 63 8.323 8.323 8.134 0.189 17824 5308 1 13 . 1 1 64 64 THR N N 64 111.006 111.006 114.792 -3.786 17824 5309 1 13 . 1 1 64 64 THR HA H 64 4.495 4.495 4.731 -0.236 17824 5310 1 13 . 1 1 64 64 THR C C 64 175.346 175.346 173.314 2.032 17824 5311 1 13 . 1 1 64 64 THR CA C 64 61.903 61.903 60.767 1.136 17824 5312 1 13 . 1 1 64 64 THR CB C 64 69.903 69.903 71.130 -1.228 17824 5313 1 13 . 1 1 64 64 THR H H 64 8.071 8.071 8.045 0.026 17824 5314 1 13 . 1 1 65 65 SER N N 65 118.037 118.037 118.185 -0.148 17824 5315 1 13 . 1 1 65 65 SER HA H 65 4.524 4.524 4.495 0.029 17824 5316 1 13 . 1 1 65 65 SER C C 65 175.131 175.131 175.717 -0.586 17824 5317 1 13 . 1 1 65 65 SER CA C 65 59.795 59.795 59.898 -0.103 17824 5318 1 13 . 1 1 65 65 SER CB C 65 63.833 63.833 63.529 0.304 17824 5319 1 13 . 1 1 65 65 SER H H 65 8.328 8.328 8.749 -0.421 17824 5320 1 13 . 1 1 66 66 GLU N N 66 121.505 121.505 120.417 1.088 17824 5321 1 13 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.162 0.152 17824 5322 1 13 . 1 1 66 66 GLU C C 66 176.394 176.394 176.010 0.384 17824 5323 1 13 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.596 -1.601 17824 5324 1 13 . 1 1 66 66 GLU CB C 66 30.310 30.310 29.964 0.346 17824 5325 1 13 . 1 1 66 66 GLU H H 66 8.368 8.368 8.441 -0.073 17824 5326 1 13 . 1 1 67 67 GLU N N 67 119.409 119.409 113.312 6.097 17824 5327 1 13 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.655 -0.364 17824 5328 1 13 . 1 1 67 67 GLU C C 67 175.079 175.079 174.920 0.159 17824 5329 1 13 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.939 1.541 17824 5330 1 13 . 1 1 67 67 GLU CB C 67 29.931 29.931 30.146 -0.215 17824 5331 1 13 . 1 1 67 67 GLU H H 67 8.074 8.074 8.015 0.059 17824 5332 1 13 . 1 1 68 68 CYS N N 68 126.937 126.937 123.871 3.066 17824 5333 1 13 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.682 -0.394 17824 5334 1 13 . 1 1 68 68 CYS C C 68 174.423 174.423 174.417 0.006 17824 5335 1 13 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.267 -0.458 17824 5336 1 13 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.047 0.623 17824 5337 1 13 . 1 1 68 68 CYS H H 68 8.340 8.340 8.548 -0.208 17824 5338 1 13 . 1 1 69 69 THR N N 69 116.442 116.442 109.627 6.815 17824 5339 1 13 . 1 1 69 69 THR HA H 69 4.891 4.891 4.717 0.174 17824 5340 1 13 . 1 1 69 69 THR C C 69 175.561 175.561 172.575 2.986 17824 5341 1 13 . 1 1 69 69 THR CA C 69 60.817 60.817 61.975 -1.158 17824 5342 1 13 . 1 1 69 69 THR CB C 69 71.654 71.654 71.101 0.553 17824 5343 1 13 . 1 1 69 69 THR H H 69 7.497 7.497 7.609 -0.112 17824 5344 1 13 . 1 1 70 70 VAL N N 70 123.637 123.637 123.611 0.026 17824 5345 1 13 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.911 -0.576 17824 5346 1 13 . 1 1 70 70 VAL C C 70 174.368 174.368 172.882 1.486 17824 5347 1 13 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.277 2.665 17824 5348 1 13 . 1 1 70 70 VAL CB C 70 33.897 33.897 36.082 -2.185 17824 5349 1 13 . 1 1 70 70 VAL H H 70 8.862 8.862 8.499 0.363 17824 5350 1 13 . 1 1 71 71 ALA N N 71 128.540 128.540 128.286 0.254 17824 5351 1 13 . 1 1 71 71 ALA HA H 71 5.286 5.286 5.383 -0.097 17824 5352 1 13 . 1 1 71 71 ALA C C 71 174.520 174.520 175.642 -1.122 17824 5353 1 13 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.618 0.153 17824 5354 1 13 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.960 1.014 17824 5355 1 13 . 1 1 71 71 ALA H H 71 9.247 9.247 9.097 0.150 17824 5356 1 13 . 1 1 72 72 TRP N N 72 120.167 120.167 122.544 -2.377 17824 5357 1 13 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.321 0.099 17824 5358 1 13 . 1 1 72 72 TRP C C 72 177.182 177.182 176.759 0.423 17824 5359 1 13 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.223 1.540 17824 5360 1 13 . 1 1 72 72 TRP CB C 72 32.630 32.630 32.013 0.617 17824 5361 1 13 . 1 1 72 72 TRP H H 72 9.065 9.065 9.211 -0.146 17824 5362 1 13 . 1 1 73 73 GLY N N 73 110.755 110.755 108.240 2.515 17824 5363 1 13 . 1 1 73 73 GLY C C 73 177.914 177.914 174.731 3.183 17824 5364 1 13 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.351 0.816 17824 5365 1 13 . 1 1 73 73 GLY H H 73 9.128 9.128 9.520 -0.392 17824 5366 1 13 . 1 1 74 74 VAL N N 74 122.747 122.747 124.183 -1.436 17824 5367 1 13 . 1 1 74 74 VAL HA H 74 3.836 3.836 4.029 -0.193 17824 5368 1 13 . 1 1 74 74 VAL C C 74 176.014 176.014 176.867 -0.853 17824 5369 1 13 . 1 1 74 74 VAL CA C 74 64.993 64.993 64.907 0.086 17824 5370 1 13 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.752 -0.032 17824 5371 1 13 . 1 1 74 74 VAL H H 74 8.299 8.299 7.884 0.415 17824 5372 1 13 . 1 1 75 75 CYS N N 75 116.720 116.720 113.840 2.880 17824 5373 1 13 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.374 -0.079 17824 5374 1 13 . 1 1 75 75 CYS C C 75 174.359 174.359 174.827 -0.468 17824 5375 1 13 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.609 0.608 17824 5376 1 13 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.389 4.312 17824 5377 1 13 . 1 1 75 75 CYS H H 75 7.567 7.567 7.891 -0.324 17824 5378 1 13 . 1 1 76 76 ASN N N 76 114.522 114.522 118.669 -4.147 17824 5379 1 13 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.310 0.124 17824 5380 1 13 . 1 1 76 76 ASN C C 76 173.726 173.726 173.395 0.331 17824 5381 1 13 . 1 1 76 76 ASN CA C 76 55.652 55.652 53.868 1.784 17824 5382 1 13 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.820 0.128 17824 5383 1 13 . 1 1 76 76 ASN H H 76 8.060 8.060 7.919 0.141 17824 5384 1 13 . 1 1 77 77 HIS N N 77 117.754 117.754 116.657 1.097 17824 5385 1 13 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.801 -0.084 17824 5386 1 13 . 1 1 77 77 HIS C C 77 172.650 172.650 173.017 -0.367 17824 5387 1 13 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.619 3.207 17824 5388 1 13 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.786 -1.897 17824 5389 1 13 . 1 1 77 77 HIS H H 77 7.797 7.797 7.674 0.123 17824 5390 1 13 . 1 1 78 78 ALA N N 78 122.889 122.889 122.803 0.086 17824 5391 1 13 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.506 -0.557 17824 5392 1 13 . 1 1 78 78 ALA C C 78 174.873 174.873 175.018 -0.145 17824 5393 1 13 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.537 -2.008 17824 5394 1 13 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.751 -1.674 17824 5395 1 13 . 1 1 78 78 ALA H H 78 7.811 7.811 8.378 -0.567 17824 5396 1 13 . 1 1 79 79 PHE N N 79 113.618 113.618 120.446 -6.828 17824 5397 1 13 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.757 -0.058 17824 5398 1 13 . 1 1 79 79 PHE C C 79 176.138 176.138 174.733 1.405 17824 5399 1 13 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.843 -1.494 17824 5400 1 13 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.367 2.219 17824 5401 1 13 . 1 1 79 79 PHE H H 79 8.377 8.377 9.050 -0.673 17824 5402 1 13 . 1 1 80 80 HIS N N 80 118.823 118.823 120.301 -1.478 17824 5403 1 13 . 1 1 80 80 HIS HA H 80 4.829 4.829 5.064 -0.235 17824 5404 1 13 . 1 1 80 80 HIS C C 80 177.268 177.268 176.703 0.565 17824 5405 1 13 . 1 1 80 80 HIS CA C 80 60.949 60.949 55.753 5.196 17824 5406 1 13 . 1 1 80 80 HIS CB C 80 29.735 29.735 31.093 -1.358 17824 5407 1 13 . 1 1 80 80 HIS H H 80 8.429 8.429 8.390 0.039 17824 5408 1 13 . 1 1 81 81 PHE N N 81 129.040 129.040 126.012 3.028 17824 5409 1 13 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.275 0.064 17824 5410 1 13 . 1 1 81 81 PHE C C 81 178.911 178.911 176.725 2.186 17824 5411 1 13 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.362 -0.524 17824 5412 1 13 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.386 -0.330 17824 5413 1 13 . 1 1 81 81 PHE H H 81 9.881 9.881 9.293 0.588 17824 5414 1 13 . 1 1 82 82 HIS N N 82 120.611 120.611 119.385 1.226 17824 5415 1 13 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.030 0.256 17824 5416 1 13 . 1 1 82 82 HIS C C 82 177.694 177.694 177.170 0.524 17824 5417 1 13 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.685 -0.781 17824 5418 1 13 . 1 1 82 82 HIS CB C 82 32.833 32.833 30.013 2.820 17824 5419 1 13 . 1 1 82 82 HIS H H 82 10.457 10.457 7.960 2.497 17824 5420 1 13 . 1 1 83 83 CYS N N 83 117.628 117.628 117.134 0.494 17824 5421 1 13 . 1 1 83 83 CYS HA H 83 4.154 4.154 3.950 0.204 17824 5422 1 13 . 1 1 83 83 CYS C C 83 177.768 177.768 176.754 1.014 17824 5423 1 13 . 1 1 83 83 CYS CA C 83 62.968 62.968 63.175 -0.207 17824 5424 1 13 . 1 1 83 83 CYS CB C 83 28.904 28.904 25.938 2.966 17824 5425 1 13 . 1 1 83 83 CYS H H 83 6.933 6.933 8.432 -1.499 17824 5426 1 13 . 1 1 84 84 ILE N N 84 119.139 119.139 120.444 -1.305 17824 5427 1 13 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.360 0.482 17824 5428 1 13 . 1 1 84 84 ILE C C 84 175.705 175.705 177.043 -1.338 17824 5429 1 13 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.561 -3.684 17824 5430 1 13 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.614 0.463 17824 5431 1 13 . 1 1 84 84 ILE H H 84 8.290 8.290 8.729 -0.439 17824 5432 1 13 . 1 1 85 85 SER N N 85 118.224 118.224 116.444 1.780 17824 5433 1 13 . 1 1 85 85 SER HA H 85 3.995 3.995 4.015 -0.020 17824 5434 1 13 . 1 1 85 85 SER C C 85 176.097 176.097 176.645 -0.548 17824 5435 1 13 . 1 1 85 85 SER CA C 85 62.841 62.841 62.257 0.584 17824 5436 1 13 . 1 1 85 85 SER CB C 85 62.009 62.009 62.461 -0.452 17824 5437 1 13 . 1 1 85 85 SER H H 85 8.157 8.157 8.085 0.072 17824 5438 1 13 . 1 1 86 86 ARG N N 86 120.496 120.496 121.254 -0.758 17824 5439 1 13 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.039 -0.015 17824 5440 1 13 . 1 1 86 86 ARG C C 86 179.382 179.382 178.290 1.092 17824 5441 1 13 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.382 1.483 17824 5442 1 13 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.633 0.227 17824 5443 1 13 . 1 1 86 86 ARG H H 86 7.174 7.174 7.685 -0.511 17824 5444 1 13 . 1 1 87 87 TRP N N 87 123.951 123.951 122.167 1.784 17824 5445 1 13 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.225 -0.066 17824 5446 1 13 . 1 1 87 87 TRP C C 87 177.572 177.572 178.356 -0.784 17824 5447 1 13 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.226 0.698 17824 5448 1 13 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.143 0.103 17824 5449 1 13 . 1 1 87 87 TRP H H 87 7.981 7.981 8.326 -0.345 17824 5450 1 13 . 1 1 88 88 LEU N N 88 116.707 116.707 117.569 -0.862 17824 5451 1 13 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.247 0.516 17824 5452 1 13 . 1 1 88 88 LEU C C 88 178.008 178.008 178.595 -0.587 17824 5453 1 13 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.649 -0.921 17824 5454 1 13 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.586 0.610 17824 5455 1 13 . 1 1 88 88 LEU H H 88 8.246 8.246 8.203 0.043 17824 5456 1 13 . 1 1 89 89 LYS N N 89 117.240 117.240 116.988 0.252 17824 5457 1 13 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.069 0.012 17824 5458 1 13 . 1 1 89 89 LYS C C 89 178.385 178.385 177.906 0.479 17824 5459 1 13 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.478 0.433 17824 5460 1 13 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.181 0.123 17824 5461 1 13 . 1 1 89 89 LYS H H 89 7.309 7.309 7.766 -0.457 17824 5462 1 13 . 1 1 90 90 THR N N 90 106.446 106.446 108.104 -1.658 17824 5463 1 13 . 1 1 90 90 THR HA H 90 4.383 4.383 4.194 0.189 17824 5464 1 13 . 1 1 90 90 THR C C 90 173.919 173.919 174.718 -0.799 17824 5465 1 13 . 1 1 90 90 THR CA C 90 62.069 62.069 62.419 -0.349 17824 5466 1 13 . 1 1 90 90 THR CB C 90 70.133 70.133 70.325 -0.191 17824 5467 1 13 . 1 1 90 90 THR H H 90 7.452 7.452 7.538 -0.086 17824 5468 1 13 . 1 1 91 91 ARG N N 91 121.616 121.616 120.610 1.006 17824 5469 1 13 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.388 0.017 17824 5470 1 13 . 1 1 91 91 ARG C C 91 174.754 174.754 174.810 -0.056 17824 5471 1 13 . 1 1 91 91 ARG CA C 91 54.833 54.833 54.389 0.444 17824 5472 1 13 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.473 1.412 17824 5473 1 13 . 1 1 91 91 ARG H H 91 7.426 7.426 7.638 -0.212 17824 5474 1 13 . 1 1 92 92 GLN N N 92 118.161 118.161 120.181 -2.020 17824 5475 1 13 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.428 0.280 17824 5476 1 13 . 1 1 92 92 GLN C C 92 176.437 176.437 174.724 1.713 17824 5477 1 13 . 1 1 92 92 GLN CA C 92 55.783 55.783 56.724 -0.941 17824 5478 1 13 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.480 -0.522 17824 5479 1 13 . 1 1 92 92 GLN H H 92 8.526 8.526 8.645 -0.119 17824 5480 1 13 . 1 1 93 93 VAL N N 93 109.557 109.557 112.130 -2.573 17824 5481 1 13 . 1 1 93 93 VAL HA H 93 5.065 5.065 5.177 -0.112 17824 5482 1 13 . 1 1 93 93 VAL C C 93 174.806 174.806 175.372 -0.566 17824 5483 1 13 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.102 -0.754 17824 5484 1 13 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.992 0.316 17824 5485 1 13 . 1 1 93 93 VAL H H 93 7.083 7.083 7.160 -0.077 17824 5486 1 13 . 1 1 94 94 CYS N N 94 123.889 123.889 122.753 1.136 17824 5487 1 13 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.531 -0.027 17824 5488 1 13 . 1 1 94 94 CYS CA C 94 56.860 56.860 60.414 -3.554 17824 5489 1 13 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.447 4.318 17824 5490 1 13 . 1 1 94 94 CYS H H 94 9.020 9.020 9.375 -0.355 17824 5491 1 13 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.016 0.064 17824 5492 1 13 . 1 1 95 95 PRO C C 95 177.037 177.037 177.554 -0.517 17824 5493 1 13 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.758 -0.760 17824 5494 1 13 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.317 1.345 17824 5495 1 13 . 1 1 96 96 LEU N N 96 118.497 118.497 117.770 0.727 17824 5496 1 13 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.329 -0.013 17824 5497 1 13 . 1 1 96 96 LEU C C 96 177.797 177.797 178.178 -0.381 17824 5498 1 13 . 1 1 96 96 LEU CA C 96 55.812 55.812 57.395 -1.583 17824 5499 1 13 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.703 1.371 17824 5500 1 13 . 1 1 96 96 LEU H H 96 8.798 8.798 7.624 1.174 17824 5501 1 13 . 1 1 97 97 ASP N N 97 114.958 114.958 115.209 -0.251 17824 5502 1 13 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.831 0.121 17824 5503 1 13 . 1 1 97 97 ASP C C 97 175.946 175.946 176.262 -0.316 17824 5504 1 13 . 1 1 97 97 ASP CA C 97 54.712 54.712 53.866 0.846 17824 5505 1 13 . 1 1 97 97 ASP CB C 97 43.183 43.183 42.716 0.467 17824 5506 1 13 . 1 1 97 97 ASP H H 97 7.396 7.396 8.021 -0.625 17824 5507 1 13 . 1 1 98 98 ASN N N 98 115.407 115.407 116.265 -0.858 17824 5508 1 13 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.467 -0.043 17824 5509 1 13 . 1 1 98 98 ASN C C 98 173.934 173.934 174.147 -0.213 17824 5510 1 13 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.075 1.227 17824 5511 1 13 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.508 1.488 17824 5512 1 13 . 1 1 98 98 ASN H H 98 8.332 8.332 8.447 -0.115 17824 5513 1 13 . 1 1 99 99 ARG N N 99 119.005 119.005 119.597 -0.592 17824 5514 1 13 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.563 -0.091 17824 5515 1 13 . 1 1 99 99 ARG C C 99 176.631 176.631 174.692 1.939 17824 5516 1 13 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.517 1.304 17824 5517 1 13 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.147 -1.177 17824 5518 1 13 . 1 1 99 99 ARG H H 99 8.825 8.825 8.066 0.759 17824 5519 1 13 . 1 1 100 100 GLU N N 100 122.676 122.676 125.267 -2.591 17824 5520 1 13 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.380 -0.230 17824 5521 1 13 . 1 1 100 100 GLU C C 100 176.647 176.647 175.430 1.217 17824 5522 1 13 . 1 1 100 100 GLU CA C 100 58.348 58.348 56.698 1.650 17824 5523 1 13 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.689 -0.955 17824 5524 1 13 . 1 1 100 100 GLU H H 100 8.869 8.869 8.729 0.140 17824 5525 1 13 . 1 1 101 101 TRP N N 101 126.288 126.288 130.264 -3.976 17824 5526 1 13 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.603 -0.000 17824 5527 1 13 . 1 1 101 101 TRP C C 101 175.786 175.786 175.650 0.136 17824 5528 1 13 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.450 0.485 17824 5529 1 13 . 1 1 101 101 TRP CB C 101 29.758 29.758 29.915 -0.157 17824 5530 1 13 . 1 1 101 101 TRP H H 101 8.437 8.437 8.292 0.145 17824 5531 1 13 . 1 1 102 102 GLU N N 102 127.912 127.912 125.586 2.326 17824 5532 1 13 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.272 -0.000 17824 5533 1 13 . 1 1 102 102 GLU C C 102 174.791 174.791 174.249 0.542 17824 5534 1 13 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.094 0.630 17824 5535 1 13 . 1 1 102 102 GLU CB C 102 33.255 33.255 34.066 -0.811 17824 5536 1 13 . 1 1 102 102 GLU H H 102 7.319 7.319 7.659 -0.340 17824 5537 1 13 . 1 1 103 103 PHE N N 103 122.445 122.445 122.358 0.087 17824 5538 1 13 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.808 -0.440 17824 5539 1 13 . 1 1 103 103 PHE C C 103 176.419 176.419 175.764 0.655 17824 5540 1 13 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.883 1.187 17824 5541 1 13 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.149 0.725 17824 5542 1 13 . 1 1 103 103 PHE H H 103 8.827 8.827 9.138 -0.311 17824 5543 1 13 . 1 1 104 104 GLN N N 104 122.896 122.896 126.358 -3.462 17824 5544 1 13 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.424 -0.138 17824 5545 1 13 . 1 1 104 104 GLN C C 104 175.487 175.487 175.515 -0.028 17824 5546 1 13 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.136 -0.866 17824 5547 1 13 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.469 0.077 17824 5548 1 13 . 1 1 104 104 GLN H H 104 9.119 9.119 9.010 0.109 17824 5549 1 13 . 1 1 105 105 LYS N N 105 121.917 121.917 115.464 6.453 17824 5550 1 13 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.664 -0.228 17824 5551 1 13 . 1 1 105 105 LYS C C 105 175.219 175.219 174.376 0.843 17824 5552 1 13 . 1 1 105 105 LYS CA C 105 56.282 56.282 55.152 1.130 17824 5553 1 13 . 1 1 105 105 LYS CB C 105 33.804 33.804 36.742 -2.938 17824 5554 1 13 . 1 1 105 105 LYS H H 105 8.308 8.308 7.860 0.448 17824 5555 1 13 . 1 1 106 106 TYR N N 106 121.451 121.451 117.815 3.636 17824 5556 1 13 . 1 1 106 106 TYR HA H 106 4.814 4.814 5.729 -0.915 17824 5557 1 13 . 1 1 106 106 TYR C C 106 176.017 176.017 174.568 1.449 17824 5558 1 13 . 1 1 106 106 TYR CA C 106 57.828 57.828 55.558 2.270 17824 5559 1 13 . 1 1 106 106 TYR CB C 106 39.606 39.606 41.615 -2.009 17824 5560 1 13 . 1 1 106 106 TYR H H 106 8.431 8.431 8.083 0.348 17824 5561 1 13 . 1 1 107 107 GLY N N 107 110.965 110.965 107.829 3.136 17824 5562 1 13 . 1 1 107 107 GLY C C 107 172.723 172.723 172.219 0.504 17824 5563 1 13 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.882 0.400 17824 5564 1 13 . 1 1 107 107 GLY H H 107 8.395 8.395 8.690 -0.295 17824 5565 1 14 . 1 1 35 35 TRP N N 35 118.681 118.681 120.996 -2.315 17824 5566 1 14 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.459 0.184 17824 5567 1 14 . 1 1 35 35 TRP C C 35 175.833 175.833 176.276 -0.443 17824 5568 1 14 . 1 1 35 35 TRP CA C 35 56.900 56.900 58.503 -1.603 17824 5569 1 14 . 1 1 35 35 TRP CB C 35 29.375 29.375 29.887 -0.511 17824 5570 1 14 . 1 1 35 35 TRP H H 35 7.831 7.831 8.474 -0.643 17824 5571 1 14 . 1 1 36 36 ASP N N 36 121.178 121.178 115.156 6.022 17824 5572 1 14 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.807 -0.233 17824 5573 1 14 . 1 1 36 36 ASP C C 36 175.821 175.821 174.693 1.128 17824 5574 1 14 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.048 1.574 17824 5575 1 14 . 1 1 36 36 ASP CB C 36 41.150 41.150 42.744 -1.594 17824 5576 1 14 . 1 1 36 36 ASP H H 36 8.111 8.111 7.879 0.232 17824 5577 1 14 . 1 1 37 37 ILE N N 37 120.177 120.177 122.557 -2.380 17824 5578 1 14 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.095 0.061 17824 5579 1 14 . 1 1 37 37 ILE C C 37 175.817 175.817 175.273 0.544 17824 5580 1 14 . 1 1 37 37 ILE CA C 37 61.638 61.638 61.646 -0.008 17824 5581 1 14 . 1 1 37 37 ILE CB C 37 39.034 39.034 35.674 3.360 17824 5582 1 14 . 1 1 37 37 ILE H H 37 7.820 7.820 8.334 -0.514 17824 5583 1 14 . 1 1 38 38 VAL N N 38 124.844 124.844 128.604 -3.760 17824 5584 1 14 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.336 -0.176 17824 5585 1 14 . 1 1 38 38 VAL C C 38 176.102 176.102 176.173 -0.071 17824 5586 1 14 . 1 1 38 38 VAL CA C 38 62.055 62.055 61.208 0.847 17824 5587 1 14 . 1 1 38 38 VAL CB C 38 32.764 32.764 34.781 -2.017 17824 5588 1 14 . 1 1 38 38 VAL H H 38 8.203 8.203 7.942 0.261 17824 5589 1 14 . 1 1 39 39 VAL N N 39 123.813 123.813 121.580 2.233 17824 5590 1 14 . 1 1 39 39 VAL HA H 39 4.138 4.138 4.165 -0.027 17824 5591 1 14 . 1 1 39 39 VAL C C 39 174.919 174.919 175.399 -0.480 17824 5592 1 14 . 1 1 39 39 VAL CA C 39 62.605 62.605 61.599 1.006 17824 5593 1 14 . 1 1 39 39 VAL CB C 39 32.825 32.825 32.501 0.324 17824 5594 1 14 . 1 1 39 39 VAL H H 39 8.163 8.163 8.432 -0.269 17824 5595 1 14 . 1 1 40 40 ASP N N 40 122.074 122.074 119.416 2.658 17824 5596 1 14 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.639 -0.171 17824 5597 1 14 . 1 1 40 40 ASP C C 40 174.408 174.408 175.176 -0.768 17824 5598 1 14 . 1 1 40 40 ASP CA C 40 54.389 54.389 55.507 -1.118 17824 5599 1 14 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.782 0.373 17824 5600 1 14 . 1 1 40 40 ASP H H 40 8.154 8.154 8.265 -0.111 17824 5601 1 14 . 1 1 41 41 ASN N N 41 115.983 115.983 116.742 -0.759 17824 5602 1 14 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.915 -0.153 17824 5603 1 14 . 1 1 41 41 ASN C C 41 174.643 174.643 173.766 0.877 17824 5604 1 14 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.101 0.225 17824 5605 1 14 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.599 -1.215 17824 5606 1 14 . 1 1 41 41 ASN H H 41 7.901 7.901 7.376 0.525 17824 5607 1 14 . 1 1 42 42 CYS N N 42 123.612 123.612 122.651 0.961 17824 5608 1 14 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.517 -0.231 17824 5609 1 14 . 1 1 42 42 CYS C C 42 176.756 176.756 175.091 1.665 17824 5610 1 14 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.755 0.045 17824 5611 1 14 . 1 1 42 42 CYS CB C 42 30.773 30.773 27.410 3.363 17824 5612 1 14 . 1 1 42 42 CYS H H 42 8.503 8.503 8.597 -0.094 17824 5613 1 14 . 1 1 43 43 ALA N N 43 132.181 132.181 131.537 0.644 17824 5614 1 14 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.289 -0.124 17824 5615 1 14 . 1 1 43 43 ALA C C 43 177.706 177.706 178.374 -0.668 17824 5616 1 14 . 1 1 43 43 ALA CA C 43 53.643 53.643 53.776 -0.133 17824 5617 1 14 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.741 0.670 17824 5618 1 14 . 1 1 43 43 ALA H H 43 9.493 9.493 9.091 0.402 17824 5619 1 14 . 1 1 44 44 ILE N N 44 116.079 116.079 117.669 -1.590 17824 5620 1 14 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.591 0.205 17824 5621 1 14 . 1 1 44 44 ILE C C 44 176.208 176.208 177.188 -0.980 17824 5622 1 14 . 1 1 44 44 ILE CA C 44 64.532 64.532 64.626 -0.094 17824 5623 1 14 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.881 1.211 17824 5624 1 14 . 1 1 44 44 ILE H H 44 7.956 7.956 7.711 0.245 17824 5625 1 14 . 1 1 45 45 CYS N N 45 116.456 116.456 114.338 2.118 17824 5626 1 14 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.521 0.502 17824 5627 1 14 . 1 1 45 45 CYS C C 45 175.747 175.747 174.898 0.849 17824 5628 1 14 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.980 1.200 17824 5629 1 14 . 1 1 45 45 CYS CB C 45 32.878 32.878 28.669 4.209 17824 5630 1 14 . 1 1 45 45 CYS H H 45 7.818 7.818 7.633 0.185 17824 5631 1 14 . 1 1 46 46 ARG N N 46 117.125 117.125 120.968 -3.843 17824 5632 1 14 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.354 -0.349 17824 5633 1 14 . 1 1 46 46 ARG C C 46 175.539 175.539 174.499 1.040 17824 5634 1 14 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.525 3.259 17824 5635 1 14 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.939 -1.345 17824 5636 1 14 . 1 1 46 46 ARG H H 46 8.511 8.511 8.033 0.478 17824 5637 1 14 . 1 1 47 47 ASN N N 47 121.377 121.377 115.681 5.696 17824 5638 1 14 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.950 0.062 17824 5639 1 14 . 1 1 47 47 ASN C C 47 175.537 175.537 173.743 1.794 17824 5640 1 14 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.224 -2.202 17824 5641 1 14 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.207 -2.192 17824 5642 1 14 . 1 1 47 47 ASN H H 47 8.720 8.720 7.674 1.046 17824 5643 1 14 . 1 1 48 48 HIS N N 48 122.235 122.235 118.164 4.071 17824 5644 1 14 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.626 -0.127 17824 5645 1 14 . 1 1 48 48 HIS C C 48 177.722 177.722 176.201 1.521 17824 5646 1 14 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.581 1.290 17824 5647 1 14 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.324 -0.604 17824 5648 1 14 . 1 1 48 48 HIS H H 48 9.226 9.226 8.568 0.658 17824 5649 1 14 . 1 1 49 49 ILE N N 49 126.643 126.643 122.300 4.343 17824 5650 1 14 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.619 -0.219 17824 5651 1 14 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.913 -1.425 17824 5652 1 14 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.689 0.282 17824 5653 1 14 . 1 1 49 49 ILE H H 49 7.991 7.991 7.633 0.358 17824 5654 1 14 . 1 1 50 50 MET HA H 50 4.268 4.268 4.636 -0.368 17824 5655 1 14 . 1 1 50 50 MET C C 50 177.236 177.236 174.283 2.953 17824 5656 1 14 . 1 1 50 50 MET CA C 50 54.795 54.795 54.750 0.045 17824 5657 1 14 . 1 1 50 50 MET CB C 50 31.357 31.357 32.783 -1.426 17824 5658 1 14 . 1 1 51 51 ASP N N 51 121.143 121.143 124.133 -2.990 17824 5659 1 14 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.197 -0.183 17824 5660 1 14 . 1 1 51 51 ASP C C 51 176.770 176.770 174.630 2.140 17824 5661 1 14 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.864 -2.761 17824 5662 1 14 . 1 1 51 51 ASP CB C 51 43.285 43.285 43.543 -0.258 17824 5663 1 14 . 1 1 51 51 ASP H H 51 7.854 7.854 8.234 -0.380 17824 5664 1 14 . 1 1 52 52 LEU N N 52 119.501 119.501 120.353 -0.852 17824 5665 1 14 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.266 0.081 17824 5666 1 14 . 1 1 52 52 LEU C C 52 177.049 177.049 176.168 0.881 17824 5667 1 14 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.512 -0.081 17824 5668 1 14 . 1 1 52 52 LEU CB C 52 43.355 43.355 43.166 0.189 17824 5669 1 14 . 1 1 52 52 LEU H H 52 8.484 8.484 8.544 -0.060 17824 5670 1 14 . 1 1 53 53 CYS N N 53 120.790 120.790 116.492 4.298 17824 5671 1 14 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.638 -0.792 17824 5672 1 14 . 1 1 53 53 CYS C C 53 175.247 175.247 176.544 -1.297 17824 5673 1 14 . 1 1 53 53 CYS CA C 53 57.831 57.831 57.477 0.354 17824 5674 1 14 . 1 1 53 53 CYS CB C 53 31.644 31.644 29.318 2.326 17824 5675 1 14 . 1 1 53 53 CYS H H 53 8.151 8.151 8.213 -0.062 17824 5676 1 14 . 1 1 54 54 ILE N N 54 116.790 116.790 120.444 -3.654 17824 5677 1 14 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.674 0.261 17824 5678 1 14 . 1 1 54 54 ILE C C 54 176.615 176.615 177.983 -1.368 17824 5679 1 14 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.140 -1.234 17824 5680 1 14 . 1 1 54 54 ILE CB C 54 39.034 39.034 36.974 2.060 17824 5681 1 14 . 1 1 54 54 ILE H H 54 6.626 6.626 8.810 -2.184 17824 5682 1 14 . 1 1 55 55 GLU N N 55 123.451 123.451 119.559 3.892 17824 5683 1 14 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.201 -0.047 17824 5684 1 14 . 1 1 55 55 GLU C C 55 179.075 179.075 178.899 0.176 17824 5685 1 14 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.913 0.868 17824 5686 1 14 . 1 1 55 55 GLU CB C 55 30.464 30.464 28.951 1.512 17824 5687 1 14 . 1 1 55 55 GLU H H 55 7.642 7.642 8.681 -1.039 17824 5688 1 14 . 1 1 56 56 CYS N N 56 124.445 124.445 117.652 6.793 17824 5689 1 14 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.211 -0.223 17824 5690 1 14 . 1 1 56 56 CYS C C 56 178.290 178.290 177.277 1.013 17824 5691 1 14 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.618 2.360 17824 5692 1 14 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.323 3.329 17824 5693 1 14 . 1 1 56 56 CYS H H 56 8.676 8.676 8.184 0.492 17824 5694 1 14 . 1 1 57 57 GLN N N 57 117.736 117.736 120.522 -2.786 17824 5695 1 14 . 1 1 57 57 GLN HA H 57 3.892 3.892 3.989 -0.097 17824 5696 1 14 . 1 1 57 57 GLN C C 57 177.428 177.428 177.478 -0.050 17824 5697 1 14 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.646 0.226 17824 5698 1 14 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.936 0.892 17824 5699 1 14 . 1 1 57 57 GLN H H 57 8.419 8.419 8.327 0.092 17824 5700 1 14 . 1 1 58 58 ALA N N 58 119.578 119.578 122.577 -2.999 17824 5701 1 14 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.136 0.141 17824 5702 1 14 . 1 1 58 58 ALA C C 58 178.087 178.087 179.203 -1.116 17824 5703 1 14 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.509 0.013 17824 5704 1 14 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.885 0.132 17824 5705 1 14 . 1 1 58 58 ALA H H 58 7.335 7.335 7.652 -0.317 17824 5706 1 14 . 1 1 59 59 ASN N N 59 116.209 116.209 115.956 0.253 17824 5707 1 14 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.509 0.309 17824 5708 1 14 . 1 1 59 59 ASN C C 59 175.372 175.372 175.878 -0.506 17824 5709 1 14 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.739 -2.081 17824 5710 1 14 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.163 -0.055 17824 5711 1 14 . 1 1 59 59 ASN H H 59 7.617 7.617 8.227 -0.610 17824 5712 1 14 . 1 1 60 60 GLN N N 60 120.078 120.078 116.837 3.241 17824 5713 1 14 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.875 0.337 17824 5714 1 14 . 1 1 60 60 GLN C C 60 176.218 176.218 174.337 1.881 17824 5715 1 14 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.367 0.943 17824 5716 1 14 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.184 2.466 17824 5717 1 14 . 1 1 60 60 GLN H H 60 8.116 8.116 8.118 -0.002 17824 5718 1 14 . 1 1 61 61 ALA N N 61 122.298 122.298 122.815 -0.517 17824 5719 1 14 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.262 0.056 17824 5720 1 14 . 1 1 61 61 ALA C C 61 177.964 177.964 177.741 0.223 17824 5721 1 14 . 1 1 61 61 ALA CA C 61 53.440 53.440 51.133 2.307 17824 5722 1 14 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.765 -1.113 17824 5723 1 14 . 1 1 61 61 ALA H H 61 8.345 8.345 8.127 0.218 17824 5724 1 14 . 1 1 62 62 SER N N 62 113.232 113.232 116.334 -3.102 17824 5725 1 14 . 1 1 62 62 SER HA H 62 4.454 4.454 4.378 0.076 17824 5726 1 14 . 1 1 62 62 SER C C 62 174.747 174.747 173.052 1.695 17824 5727 1 14 . 1 1 62 62 SER CA C 62 58.197 58.197 59.173 -0.976 17824 5728 1 14 . 1 1 62 62 SER CB C 62 63.906 63.906 61.408 2.498 17824 5729 1 14 . 1 1 62 62 SER H H 62 8.011 8.011 7.967 0.044 17824 5730 1 14 . 1 1 63 63 ALA N N 63 125.573 125.573 125.313 0.260 17824 5731 1 14 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.591 -0.408 17824 5732 1 14 . 1 1 63 63 ALA C C 63 178.091 178.091 175.883 2.208 17824 5733 1 14 . 1 1 63 63 ALA CA C 63 53.006 53.006 51.458 1.548 17824 5734 1 14 . 1 1 63 63 ALA CB C 63 18.756 18.756 21.862 -3.106 17824 5735 1 14 . 1 1 63 63 ALA H H 63 8.323 8.323 7.867 0.456 17824 5736 1 14 . 1 1 64 64 THR N N 64 111.006 111.006 116.496 -5.490 17824 5737 1 14 . 1 1 64 64 THR HA H 64 4.495 4.495 4.359 0.136 17824 5738 1 14 . 1 1 64 64 THR C C 64 175.346 175.346 175.463 -0.117 17824 5739 1 14 . 1 1 64 64 THR CA C 64 61.903 61.903 62.691 -0.788 17824 5740 1 14 . 1 1 64 64 THR CB C 64 69.903 69.903 69.123 0.780 17824 5741 1 14 . 1 1 64 64 THR H H 64 8.071 8.071 8.634 -0.563 17824 5742 1 14 . 1 1 65 65 SER N N 65 118.037 118.037 121.400 -3.363 17824 5743 1 14 . 1 1 65 65 SER HA H 65 4.524 4.524 4.342 0.182 17824 5744 1 14 . 1 1 65 65 SER C C 65 175.131 175.131 176.008 -0.877 17824 5745 1 14 . 1 1 65 65 SER CA C 65 59.795 59.795 60.686 -0.891 17824 5746 1 14 . 1 1 65 65 SER CB C 65 63.833 63.833 63.392 0.441 17824 5747 1 14 . 1 1 65 65 SER H H 65 8.328 8.328 8.694 -0.366 17824 5748 1 14 . 1 1 66 66 GLU N N 66 121.505 121.505 120.324 1.181 17824 5749 1 14 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.158 0.156 17824 5750 1 14 . 1 1 66 66 GLU C C 66 176.394 176.394 176.068 0.326 17824 5751 1 14 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.624 -1.629 17824 5752 1 14 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.027 0.283 17824 5753 1 14 . 1 1 66 66 GLU H H 66 8.368 8.368 8.476 -0.108 17824 5754 1 14 . 1 1 67 67 GLU N N 67 119.409 119.409 113.761 5.648 17824 5755 1 14 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.576 -0.285 17824 5756 1 14 . 1 1 67 67 GLU C C 67 175.079 175.079 175.145 -0.066 17824 5757 1 14 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.534 1.946 17824 5758 1 14 . 1 1 67 67 GLU CB C 67 29.931 29.931 29.530 0.401 17824 5759 1 14 . 1 1 67 67 GLU H H 67 8.074 8.074 7.959 0.115 17824 5760 1 14 . 1 1 68 68 CYS N N 68 126.937 126.937 123.972 2.965 17824 5761 1 14 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.608 -0.320 17824 5762 1 14 . 1 1 68 68 CYS C C 68 174.423 174.423 174.399 0.024 17824 5763 1 14 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.486 -0.677 17824 5764 1 14 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.342 0.328 17824 5765 1 14 . 1 1 68 68 CYS H H 68 8.340 8.340 8.287 0.053 17824 5766 1 14 . 1 1 69 69 THR N N 69 116.442 116.442 110.780 5.662 17824 5767 1 14 . 1 1 69 69 THR HA H 69 4.891 4.891 4.582 0.309 17824 5768 1 14 . 1 1 69 69 THR C C 69 175.561 175.561 172.535 3.026 17824 5769 1 14 . 1 1 69 69 THR CA C 69 60.817 60.817 61.460 -0.643 17824 5770 1 14 . 1 1 69 69 THR CB C 69 71.654 71.654 71.075 0.579 17824 5771 1 14 . 1 1 69 69 THR H H 69 7.497 7.497 7.912 -0.415 17824 5772 1 14 . 1 1 70 70 VAL N N 70 123.637 123.637 124.251 -0.614 17824 5773 1 14 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.656 -0.321 17824 5774 1 14 . 1 1 70 70 VAL C C 70 174.368 174.368 173.026 1.342 17824 5775 1 14 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.500 2.442 17824 5776 1 14 . 1 1 70 70 VAL CB C 70 33.897 33.897 36.044 -2.147 17824 5777 1 14 . 1 1 70 70 VAL H H 70 8.862 8.862 8.502 0.360 17824 5778 1 14 . 1 1 71 71 ALA N N 71 128.540 128.540 128.111 0.429 17824 5779 1 14 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.755 0.531 17824 5780 1 14 . 1 1 71 71 ALA C C 71 174.520 174.520 175.548 -1.028 17824 5781 1 14 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.952 -0.180 17824 5782 1 14 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.950 1.026 17824 5783 1 14 . 1 1 71 71 ALA H H 71 9.247 9.247 9.135 0.112 17824 5784 1 14 . 1 1 72 72 TRP N N 72 120.167 120.167 122.070 -1.903 17824 5785 1 14 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.348 0.072 17824 5786 1 14 . 1 1 72 72 TRP C C 72 177.182 177.182 176.859 0.323 17824 5787 1 14 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.474 1.289 17824 5788 1 14 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.719 0.911 17824 5789 1 14 . 1 1 72 72 TRP H H 72 9.065 9.065 8.583 0.482 17824 5790 1 14 . 1 1 73 73 GLY N N 73 110.755 110.755 108.734 2.021 17824 5791 1 14 . 1 1 73 73 GLY C C 73 177.914 177.914 174.841 3.073 17824 5792 1 14 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.473 0.694 17824 5793 1 14 . 1 1 73 73 GLY H H 73 9.128 9.128 9.641 -0.513 17824 5794 1 14 . 1 1 74 74 VAL N N 74 122.747 122.747 124.205 -1.458 17824 5795 1 14 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.796 0.040 17824 5796 1 14 . 1 1 74 74 VAL C C 74 176.014 176.014 176.521 -0.507 17824 5797 1 14 . 1 1 74 74 VAL CA C 74 64.993 64.993 64.600 0.392 17824 5798 1 14 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.681 0.039 17824 5799 1 14 . 1 1 74 74 VAL H H 74 8.299 8.299 8.389 -0.090 17824 5800 1 14 . 1 1 75 75 CYS N N 75 116.720 116.720 118.717 -1.997 17824 5801 1 14 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.350 -0.055 17824 5802 1 14 . 1 1 75 75 CYS C C 75 174.359 174.359 174.611 -0.252 17824 5803 1 14 . 1 1 75 75 CYS CA C 75 58.217 58.217 58.721 -0.504 17824 5804 1 14 . 1 1 75 75 CYS CB C 75 29.701 29.701 24.923 4.778 17824 5805 1 14 . 1 1 75 75 CYS H H 75 7.567 7.567 7.928 -0.361 17824 5806 1 14 . 1 1 76 76 ASN N N 76 114.522 114.522 118.495 -3.973 17824 5807 1 14 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.305 0.129 17824 5808 1 14 . 1 1 76 76 ASN C C 76 173.726 173.726 173.536 0.190 17824 5809 1 14 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.371 1.281 17824 5810 1 14 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.733 0.215 17824 5811 1 14 . 1 1 76 76 ASN H H 76 8.060 8.060 7.967 0.093 17824 5812 1 14 . 1 1 77 77 HIS N N 77 117.754 117.754 117.494 0.260 17824 5813 1 14 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.770 -0.053 17824 5814 1 14 . 1 1 77 77 HIS C C 77 172.650 172.650 172.911 -0.261 17824 5815 1 14 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.732 3.094 17824 5816 1 14 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.310 -1.421 17824 5817 1 14 . 1 1 77 77 HIS H H 77 7.797 7.797 7.577 0.220 17824 5818 1 14 . 1 1 78 78 ALA N N 78 122.889 122.889 123.350 -0.461 17824 5819 1 14 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.487 -0.538 17824 5820 1 14 . 1 1 78 78 ALA C C 78 174.873 174.873 174.899 -0.026 17824 5821 1 14 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.261 -1.732 17824 5822 1 14 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.893 -1.817 17824 5823 1 14 . 1 1 78 78 ALA H H 78 7.811 7.811 8.342 -0.531 17824 5824 1 14 . 1 1 79 79 PHE N N 79 113.618 113.618 119.599 -5.981 17824 5825 1 14 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.724 -0.025 17824 5826 1 14 . 1 1 79 79 PHE C C 79 176.138 176.138 174.751 1.387 17824 5827 1 14 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.755 -1.406 17824 5828 1 14 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.497 2.089 17824 5829 1 14 . 1 1 79 79 PHE H H 79 8.377 8.377 8.726 -0.349 17824 5830 1 14 . 1 1 80 80 HIS N N 80 118.823 118.823 120.610 -1.787 17824 5831 1 14 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.743 0.086 17824 5832 1 14 . 1 1 80 80 HIS C C 80 177.268 177.268 176.443 0.825 17824 5833 1 14 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.393 4.556 17824 5834 1 14 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.665 -0.930 17824 5835 1 14 . 1 1 80 80 HIS H H 80 8.429 8.429 8.433 -0.004 17824 5836 1 14 . 1 1 81 81 PHE N N 81 129.040 129.040 126.745 2.295 17824 5837 1 14 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.301 0.038 17824 5838 1 14 . 1 1 81 81 PHE C C 81 178.911 178.911 176.691 2.220 17824 5839 1 14 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.106 -0.268 17824 5840 1 14 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.496 -0.440 17824 5841 1 14 . 1 1 81 81 PHE H H 81 9.881 9.881 8.697 1.184 17824 5842 1 14 . 1 1 82 82 HIS N N 82 120.611 120.611 118.602 2.009 17824 5843 1 14 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.118 0.168 17824 5844 1 14 . 1 1 82 82 HIS C C 82 177.694 177.694 177.220 0.474 17824 5845 1 14 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.656 -0.752 17824 5846 1 14 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.966 2.867 17824 5847 1 14 . 1 1 82 82 HIS H H 82 10.457 10.457 8.146 2.311 17824 5848 1 14 . 1 1 83 83 CYS N N 83 117.628 117.628 117.617 0.011 17824 5849 1 14 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.075 0.079 17824 5850 1 14 . 1 1 83 83 CYS C C 83 177.768 177.768 176.970 0.798 17824 5851 1 14 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.532 0.435 17824 5852 1 14 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.075 2.829 17824 5853 1 14 . 1 1 83 83 CYS H H 83 6.933 6.933 8.384 -1.451 17824 5854 1 14 . 1 1 84 84 ILE N N 84 119.139 119.139 120.463 -1.324 17824 5855 1 14 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.501 0.341 17824 5856 1 14 . 1 1 84 84 ILE C C 84 175.705 175.705 177.230 -1.525 17824 5857 1 14 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.425 -3.548 17824 5858 1 14 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.647 0.430 17824 5859 1 14 . 1 1 84 84 ILE H H 84 8.290 8.290 8.859 -0.569 17824 5860 1 14 . 1 1 85 85 SER N N 85 118.224 118.224 116.251 1.973 17824 5861 1 14 . 1 1 85 85 SER HA H 85 3.995 3.995 4.072 -0.077 17824 5862 1 14 . 1 1 85 85 SER C C 85 176.097 176.097 176.746 -0.649 17824 5863 1 14 . 1 1 85 85 SER CA C 85 62.841 62.841 61.730 1.111 17824 5864 1 14 . 1 1 85 85 SER CB C 85 62.009 62.009 62.627 -0.618 17824 5865 1 14 . 1 1 85 85 SER H H 85 8.157 8.157 8.152 0.005 17824 5866 1 14 . 1 1 86 86 ARG N N 86 120.496 120.496 120.687 -0.191 17824 5867 1 14 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.057 -0.033 17824 5868 1 14 . 1 1 86 86 ARG C C 86 179.382 179.382 178.513 0.869 17824 5869 1 14 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.589 1.276 17824 5870 1 14 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.641 0.219 17824 5871 1 14 . 1 1 86 86 ARG H H 86 7.174 7.174 7.622 -0.448 17824 5872 1 14 . 1 1 87 87 TRP N N 87 123.951 123.951 122.014 1.937 17824 5873 1 14 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.289 -0.130 17824 5874 1 14 . 1 1 87 87 TRP C C 87 177.572 177.572 178.729 -1.157 17824 5875 1 14 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.200 0.724 17824 5876 1 14 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.200 0.046 17824 5877 1 14 . 1 1 87 87 TRP H H 87 7.981 7.981 8.177 -0.196 17824 5878 1 14 . 1 1 88 88 LEU N N 88 116.707 116.707 117.911 -1.204 17824 5879 1 14 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.114 0.649 17824 5880 1 14 . 1 1 88 88 LEU C C 88 178.008 178.008 178.708 -0.700 17824 5881 1 14 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.966 -1.238 17824 5882 1 14 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.778 0.418 17824 5883 1 14 . 1 1 88 88 LEU H H 88 8.246 8.246 8.250 -0.004 17824 5884 1 14 . 1 1 89 89 LYS N N 89 117.240 117.240 117.932 -0.692 17824 5885 1 14 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.037 0.044 17824 5886 1 14 . 1 1 89 89 LYS C C 89 178.385 178.385 177.930 0.455 17824 5887 1 14 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.834 0.077 17824 5888 1 14 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.453 -0.149 17824 5889 1 14 . 1 1 89 89 LYS H H 89 7.309 7.309 7.575 -0.266 17824 5890 1 14 . 1 1 90 90 THR N N 90 106.446 106.446 107.060 -0.614 17824 5891 1 14 . 1 1 90 90 THR HA H 90 4.383 4.383 4.162 0.221 17824 5892 1 14 . 1 1 90 90 THR C C 90 173.919 173.919 174.513 -0.594 17824 5893 1 14 . 1 1 90 90 THR CA C 90 62.069 62.069 62.300 -0.231 17824 5894 1 14 . 1 1 90 90 THR CB C 90 70.133 70.133 69.507 0.626 17824 5895 1 14 . 1 1 90 90 THR H H 90 7.452 7.452 7.394 0.058 17824 5896 1 14 . 1 1 91 91 ARG N N 91 121.616 121.616 120.206 1.410 17824 5897 1 14 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.340 0.065 17824 5898 1 14 . 1 1 91 91 ARG C C 91 174.754 174.754 174.824 -0.070 17824 5899 1 14 . 1 1 91 91 ARG CA C 91 54.833 54.833 54.532 0.301 17824 5900 1 14 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.324 1.561 17824 5901 1 14 . 1 1 91 91 ARG H H 91 7.426 7.426 7.712 -0.286 17824 5902 1 14 . 1 1 92 92 GLN N N 92 118.161 118.161 120.012 -1.851 17824 5903 1 14 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.404 0.304 17824 5904 1 14 . 1 1 92 92 GLN C C 92 176.437 176.437 174.973 1.464 17824 5905 1 14 . 1 1 92 92 GLN CA C 92 55.783 55.783 56.986 -1.204 17824 5906 1 14 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.470 -0.512 17824 5907 1 14 . 1 1 92 92 GLN H H 92 8.526 8.526 8.616 -0.090 17824 5908 1 14 . 1 1 93 93 VAL N N 93 109.557 109.557 111.743 -2.186 17824 5909 1 14 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.967 0.098 17824 5910 1 14 . 1 1 93 93 VAL C C 93 174.806 174.806 175.405 -0.599 17824 5911 1 14 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.118 -0.770 17824 5912 1 14 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.777 0.531 17824 5913 1 14 . 1 1 93 93 VAL H H 93 7.083 7.083 7.141 -0.058 17824 5914 1 14 . 1 1 94 94 CYS N N 94 123.889 123.889 122.434 1.455 17824 5915 1 14 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.598 -0.094 17824 5916 1 14 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.094 -4.234 17824 5917 1 14 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.762 4.003 17824 5918 1 14 . 1 1 94 94 CYS H H 94 9.020 9.020 9.325 -0.305 17824 5919 1 14 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.138 -0.058 17824 5920 1 14 . 1 1 95 95 PRO C C 95 177.037 177.037 176.551 0.486 17824 5921 1 14 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.729 -0.731 17824 5922 1 14 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.948 0.714 17824 5923 1 14 . 1 1 96 96 LEU N N 96 118.497 118.497 117.630 0.867 17824 5924 1 14 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.276 0.040 17824 5925 1 14 . 1 1 96 96 LEU C C 96 177.797 177.797 178.040 -0.243 17824 5926 1 14 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.791 -0.979 17824 5927 1 14 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.709 1.365 17824 5928 1 14 . 1 1 96 96 LEU H H 96 8.798 8.798 7.733 1.065 17824 5929 1 14 . 1 1 97 97 ASP N N 97 114.958 114.958 118.819 -3.861 17824 5930 1 14 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.605 0.347 17824 5931 1 14 . 1 1 97 97 ASP C C 97 175.946 175.946 176.767 -0.821 17824 5932 1 14 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.287 -0.575 17824 5933 1 14 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.880 2.303 17824 5934 1 14 . 1 1 97 97 ASP H H 97 7.396 7.396 8.044 -0.648 17824 5935 1 14 . 1 1 98 98 ASN N N 98 115.407 115.407 115.867 -0.460 17824 5936 1 14 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.455 -0.031 17824 5937 1 14 . 1 1 98 98 ASN C C 98 173.934 173.934 173.664 0.270 17824 5938 1 14 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.395 0.906 17824 5939 1 14 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.424 1.572 17824 5940 1 14 . 1 1 98 98 ASN H H 98 8.332 8.332 8.203 0.129 17824 5941 1 14 . 1 1 99 99 ARG N N 99 119.005 119.005 117.342 1.663 17824 5942 1 14 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.572 -0.100 17824 5943 1 14 . 1 1 99 99 ARG C C 99 176.631 176.631 174.850 1.781 17824 5944 1 14 . 1 1 99 99 ARG CA C 99 55.821 55.821 53.337 2.484 17824 5945 1 14 . 1 1 99 99 ARG CB C 99 30.970 30.970 33.446 -2.476 17824 5946 1 14 . 1 1 99 99 ARG H H 99 8.825 8.825 7.806 1.019 17824 5947 1 14 . 1 1 100 100 GLU N N 100 122.676 122.676 122.819 -0.143 17824 5948 1 14 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.349 -0.199 17824 5949 1 14 . 1 1 100 100 GLU C C 100 176.647 176.647 176.040 0.607 17824 5950 1 14 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.438 0.910 17824 5951 1 14 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.309 -0.575 17824 5952 1 14 . 1 1 100 100 GLU H H 100 8.869 8.869 8.758 0.111 17824 5953 1 14 . 1 1 101 101 TRP N N 101 126.288 126.288 130.087 -3.799 17824 5954 1 14 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.751 -0.148 17824 5955 1 14 . 1 1 101 101 TRP C C 101 175.786 175.786 175.230 0.556 17824 5956 1 14 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.506 0.429 17824 5957 1 14 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.155 -0.397 17824 5958 1 14 . 1 1 101 101 TRP H H 101 8.437 8.437 8.120 0.317 17824 5959 1 14 . 1 1 102 102 GLU N N 102 127.912 127.912 124.843 3.069 17824 5960 1 14 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.304 -0.032 17824 5961 1 14 . 1 1 102 102 GLU C C 102 174.791 174.791 174.787 0.004 17824 5962 1 14 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.068 0.656 17824 5963 1 14 . 1 1 102 102 GLU CB C 102 33.255 33.255 32.970 0.285 17824 5964 1 14 . 1 1 102 102 GLU H H 102 7.319 7.319 7.733 -0.414 17824 5965 1 14 . 1 1 103 103 PHE N N 103 122.445 122.445 123.616 -1.171 17824 5966 1 14 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.675 -0.307 17824 5967 1 14 . 1 1 103 103 PHE C C 103 176.419 176.419 176.027 0.392 17824 5968 1 14 . 1 1 103 103 PHE CA C 103 60.070 60.070 59.347 0.723 17824 5969 1 14 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.550 0.324 17824 5970 1 14 . 1 1 103 103 PHE H H 103 8.827 8.827 8.710 0.117 17824 5971 1 14 . 1 1 104 104 GLN N N 104 122.896 122.896 126.491 -3.595 17824 5972 1 14 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.395 -0.109 17824 5973 1 14 . 1 1 104 104 GLN C C 104 175.487 175.487 176.601 -1.114 17824 5974 1 14 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.986 -1.716 17824 5975 1 14 . 1 1 104 104 GLN CB C 104 30.546 30.546 29.490 1.056 17824 5976 1 14 . 1 1 104 104 GLN H H 104 9.119 9.119 9.057 0.062 17824 5977 1 14 . 1 1 105 105 LYS N N 105 121.917 121.917 117.969 3.948 17824 5978 1 14 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.353 0.083 17824 5979 1 14 . 1 1 105 105 LYS C C 105 175.219 175.219 176.345 -1.126 17824 5980 1 14 . 1 1 105 105 LYS CA C 105 56.282 56.282 54.972 1.310 17824 5981 1 14 . 1 1 105 105 LYS CB C 105 33.804 33.804 33.053 0.751 17824 5982 1 14 . 1 1 105 105 LYS H H 105 8.308 8.308 8.336 -0.028 17824 5983 1 14 . 1 1 106 106 TYR N N 106 121.451 121.451 114.796 6.655 17824 5984 1 14 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.400 0.414 17824 5985 1 14 . 1 1 106 106 TYR C C 106 176.017 176.017 174.275 1.742 17824 5986 1 14 . 1 1 106 106 TYR CA C 106 57.828 57.828 58.443 -0.615 17824 5987 1 14 . 1 1 106 106 TYR CB C 106 39.606 39.606 35.988 3.618 17824 5988 1 14 . 1 1 106 106 TYR H H 106 8.431 8.431 8.102 0.329 17824 5989 1 14 . 1 1 107 107 GLY N N 107 110.965 110.965 104.725 6.240 17824 5990 1 14 . 1 1 107 107 GLY C C 107 172.723 172.723 172.494 0.229 17824 5991 1 14 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.160 1.122 17824 5992 1 14 . 1 1 107 107 GLY H H 107 8.395 8.395 7.186 1.209 17824 5993 1 15 . 1 1 35 35 TRP N N 35 118.681 118.681 120.318 -1.637 17824 5994 1 15 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.797 -0.154 17824 5995 1 15 . 1 1 35 35 TRP C C 35 175.833 175.833 174.734 1.099 17824 5996 1 15 . 1 1 35 35 TRP CA C 35 56.900 56.900 56.065 0.835 17824 5997 1 15 . 1 1 35 35 TRP CB C 35 29.375 29.375 32.307 -2.932 17824 5998 1 15 . 1 1 35 35 TRP H H 35 7.831 7.831 8.361 -0.530 17824 5999 1 15 . 1 1 36 36 ASP N N 36 121.178 121.178 122.849 -1.671 17824 6000 1 15 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.804 -0.230 17824 6001 1 15 . 1 1 36 36 ASP C C 36 175.821 175.821 176.566 -0.745 17824 6002 1 15 . 1 1 36 36 ASP CA C 36 54.622 54.622 54.682 -0.060 17824 6003 1 15 . 1 1 36 36 ASP CB C 36 41.150 41.150 41.054 0.096 17824 6004 1 15 . 1 1 36 36 ASP H H 36 8.111 8.111 8.641 -0.530 17824 6005 1 15 . 1 1 37 37 ILE N N 37 120.177 120.177 119.729 0.448 17824 6006 1 15 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.179 -0.023 17824 6007 1 15 . 1 1 37 37 ILE C C 37 175.817 175.817 175.857 -0.040 17824 6008 1 15 . 1 1 37 37 ILE CA C 37 61.638 61.638 62.131 -0.493 17824 6009 1 15 . 1 1 37 37 ILE CB C 37 39.034 39.034 38.590 0.444 17824 6010 1 15 . 1 1 37 37 ILE H H 37 7.820 7.820 8.065 -0.245 17824 6011 1 15 . 1 1 38 38 VAL N N 38 124.844 124.844 122.695 2.149 17824 6012 1 15 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.174 -0.014 17824 6013 1 15 . 1 1 38 38 VAL C C 38 176.102 176.102 176.219 -0.117 17824 6014 1 15 . 1 1 38 38 VAL CA C 38 62.055 62.055 61.399 0.656 17824 6015 1 15 . 1 1 38 38 VAL CB C 38 32.764 32.764 33.034 -0.270 17824 6016 1 15 . 1 1 38 38 VAL H H 38 8.203 8.203 7.527 0.676 17824 6017 1 15 . 1 1 39 39 VAL N N 39 123.813 123.813 123.018 0.795 17824 6018 1 15 . 1 1 39 39 VAL HA H 39 4.138 4.138 4.421 -0.283 17824 6019 1 15 . 1 1 39 39 VAL C C 39 174.919 174.919 175.293 -0.374 17824 6020 1 15 . 1 1 39 39 VAL CA C 39 62.605 62.605 61.801 0.804 17824 6021 1 15 . 1 1 39 39 VAL CB C 39 32.825 32.825 30.703 2.122 17824 6022 1 15 . 1 1 39 39 VAL H H 39 8.163 8.163 8.604 -0.441 17824 6023 1 15 . 1 1 40 40 ASP N N 40 122.074 122.074 117.925 4.149 17824 6024 1 15 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.533 -0.065 17824 6025 1 15 . 1 1 40 40 ASP C C 40 174.408 174.408 174.864 -0.456 17824 6026 1 15 . 1 1 40 40 ASP CA C 40 54.389 54.389 54.010 0.379 17824 6027 1 15 . 1 1 40 40 ASP CB C 40 41.155 41.155 41.085 0.070 17824 6028 1 15 . 1 1 40 40 ASP H H 40 8.154 8.154 8.273 -0.119 17824 6029 1 15 . 1 1 41 41 ASN N N 41 115.983 115.983 117.159 -1.176 17824 6030 1 15 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.910 -0.148 17824 6031 1 15 . 1 1 41 41 ASN C C 41 174.643 174.643 173.478 1.165 17824 6032 1 15 . 1 1 41 41 ASN CA C 41 52.326 52.326 51.589 0.737 17824 6033 1 15 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.962 -1.578 17824 6034 1 15 . 1 1 41 41 ASN H H 41 7.901 7.901 7.374 0.527 17824 6035 1 15 . 1 1 42 42 CYS N N 42 123.612 123.612 122.047 1.565 17824 6036 1 15 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.568 -0.282 17824 6037 1 15 . 1 1 42 42 CYS C C 42 176.756 176.756 175.516 1.240 17824 6038 1 15 . 1 1 42 42 CYS CA C 42 58.800 58.800 59.108 -0.308 17824 6039 1 15 . 1 1 42 42 CYS CB C 42 30.773 30.773 27.178 3.595 17824 6040 1 15 . 1 1 42 42 CYS H H 42 8.503 8.503 8.757 -0.254 17824 6041 1 15 . 1 1 43 43 ALA N N 43 132.181 132.181 131.500 0.681 17824 6042 1 15 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.441 -0.276 17824 6043 1 15 . 1 1 43 43 ALA C C 43 177.706 177.706 177.894 -0.188 17824 6044 1 15 . 1 1 43 43 ALA CA C 43 53.643 53.643 53.892 -0.249 17824 6045 1 15 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.797 0.614 17824 6046 1 15 . 1 1 43 43 ALA H H 43 9.493 9.493 8.858 0.635 17824 6047 1 15 . 1 1 44 44 ILE N N 44 116.079 116.079 117.001 -0.922 17824 6048 1 15 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.914 -0.118 17824 6049 1 15 . 1 1 44 44 ILE C C 44 176.208 176.208 176.553 -0.345 17824 6050 1 15 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.410 1.122 17824 6051 1 15 . 1 1 44 44 ILE CB C 44 39.092 39.092 38.094 0.997 17824 6052 1 15 . 1 1 44 44 ILE H H 44 7.956 7.956 7.653 0.303 17824 6053 1 15 . 1 1 45 45 CYS N N 45 116.456 116.456 113.538 2.918 17824 6054 1 15 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.732 0.292 17824 6055 1 15 . 1 1 45 45 CYS C C 45 175.747 175.747 174.461 1.286 17824 6056 1 15 . 1 1 45 45 CYS CA C 45 59.181 59.181 56.624 2.557 17824 6057 1 15 . 1 1 45 45 CYS CB C 45 32.878 32.878 28.867 4.011 17824 6058 1 15 . 1 1 45 45 CYS H H 45 7.818 7.818 7.754 0.064 17824 6059 1 15 . 1 1 46 46 ARG N N 46 117.125 117.125 119.856 -2.731 17824 6060 1 15 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.058 -0.053 17824 6061 1 15 . 1 1 46 46 ARG C C 46 175.539 175.539 174.606 0.933 17824 6062 1 15 . 1 1 46 46 ARG CA C 46 59.784 59.784 57.271 2.513 17824 6063 1 15 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.947 -1.353 17824 6064 1 15 . 1 1 46 46 ARG H H 46 8.511 8.511 8.099 0.412 17824 6065 1 15 . 1 1 47 47 ASN N N 47 121.377 121.377 116.507 4.870 17824 6066 1 15 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.890 0.122 17824 6067 1 15 . 1 1 47 47 ASN C C 47 175.537 175.537 174.372 1.165 17824 6068 1 15 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.832 -2.810 17824 6069 1 15 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.463 -2.448 17824 6070 1 15 . 1 1 47 47 ASN H H 47 8.720 8.720 7.719 1.001 17824 6071 1 15 . 1 1 48 48 HIS N N 48 122.235 122.235 119.522 2.713 17824 6072 1 15 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.691 -0.192 17824 6073 1 15 . 1 1 48 48 HIS C C 48 177.722 177.722 176.696 1.026 17824 6074 1 15 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.823 1.049 17824 6075 1 15 . 1 1 48 48 HIS CB C 48 30.720 30.720 30.976 -0.256 17824 6076 1 15 . 1 1 48 48 HIS H H 48 9.226 9.226 8.760 0.466 17824 6077 1 15 . 1 1 49 49 ILE N N 49 126.643 126.643 122.168 4.475 17824 6078 1 15 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.766 -0.366 17824 6079 1 15 . 1 1 49 49 ILE CA C 49 61.488 61.488 63.059 -1.571 17824 6080 1 15 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.991 -0.020 17824 6081 1 15 . 1 1 49 49 ILE H H 49 7.991 7.991 8.325 -0.334 17824 6082 1 15 . 1 1 50 50 MET HA H 50 4.268 4.268 4.854 -0.586 17824 6083 1 15 . 1 1 50 50 MET C C 50 177.236 177.236 174.557 2.679 17824 6084 1 15 . 1 1 50 50 MET CA C 50 54.795 54.795 54.598 0.197 17824 6085 1 15 . 1 1 50 50 MET CB C 50 31.357 31.357 33.123 -1.766 17824 6086 1 15 . 1 1 51 51 ASP N N 51 121.143 121.143 122.205 -1.062 17824 6087 1 15 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.210 -0.197 17824 6088 1 15 . 1 1 51 51 ASP C C 51 176.770 176.770 174.478 2.292 17824 6089 1 15 . 1 1 51 51 ASP CA C 51 50.103 50.103 53.248 -3.145 17824 6090 1 15 . 1 1 51 51 ASP CB C 51 43.285 43.285 44.201 -0.916 17824 6091 1 15 . 1 1 51 51 ASP H H 51 7.854 7.854 8.010 -0.156 17824 6092 1 15 . 1 1 52 52 LEU N N 52 119.501 119.501 121.408 -1.907 17824 6093 1 15 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.292 0.054 17824 6094 1 15 . 1 1 52 52 LEU C C 52 177.049 177.049 176.761 0.288 17824 6095 1 15 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.450 -0.019 17824 6096 1 15 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.507 0.848 17824 6097 1 15 . 1 1 52 52 LEU H H 52 8.484 8.484 8.548 -0.064 17824 6098 1 15 . 1 1 53 53 CYS N N 53 120.790 120.790 119.311 1.479 17824 6099 1 15 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.441 -0.595 17824 6100 1 15 . 1 1 53 53 CYS C C 53 175.247 175.247 176.457 -1.210 17824 6101 1 15 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.491 -0.660 17824 6102 1 15 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.017 3.627 17824 6103 1 15 . 1 1 53 53 CYS H H 53 8.151 8.151 8.247 -0.096 17824 6104 1 15 . 1 1 54 54 ILE N N 54 116.790 116.790 119.575 -2.785 17824 6105 1 15 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.657 0.278 17824 6106 1 15 . 1 1 54 54 ILE C C 54 176.615 176.615 177.903 -1.288 17824 6107 1 15 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.178 -1.272 17824 6108 1 15 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.239 1.795 17824 6109 1 15 . 1 1 54 54 ILE H H 54 6.626 6.626 8.646 -2.020 17824 6110 1 15 . 1 1 55 55 GLU N N 55 123.451 123.451 119.751 3.700 17824 6111 1 15 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.125 0.029 17824 6112 1 15 . 1 1 55 55 GLU C C 55 179.075 179.075 178.487 0.588 17824 6113 1 15 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.710 1.071 17824 6114 1 15 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.629 0.835 17824 6115 1 15 . 1 1 55 55 GLU H H 55 7.642 7.642 8.452 -0.810 17824 6116 1 15 . 1 1 56 56 CYS N N 56 124.445 124.445 117.309 7.136 17824 6117 1 15 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.104 -0.116 17824 6118 1 15 . 1 1 56 56 CYS C C 56 178.290 178.290 177.013 1.277 17824 6119 1 15 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.460 2.518 17824 6120 1 15 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.018 3.634 17824 6121 1 15 . 1 1 56 56 CYS H H 56 8.676 8.676 8.268 0.408 17824 6122 1 15 . 1 1 57 57 GLN N N 57 117.736 117.736 120.334 -2.598 17824 6123 1 15 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.025 -0.133 17824 6124 1 15 . 1 1 57 57 GLN C C 57 177.428 177.428 177.523 -0.095 17824 6125 1 15 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.263 0.609 17824 6126 1 15 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.432 1.396 17824 6127 1 15 . 1 1 57 57 GLN H H 57 8.419 8.419 8.013 0.406 17824 6128 1 15 . 1 1 58 58 ALA N N 58 119.578 119.578 121.343 -1.765 17824 6129 1 15 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.199 0.078 17824 6130 1 15 . 1 1 58 58 ALA C C 58 178.087 178.087 179.000 -0.913 17824 6131 1 15 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.572 -0.050 17824 6132 1 15 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.629 0.388 17824 6133 1 15 . 1 1 58 58 ALA H H 58 7.335 7.335 7.741 -0.406 17824 6134 1 15 . 1 1 59 59 ASN N N 59 116.209 116.209 116.699 -0.490 17824 6135 1 15 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.515 0.303 17824 6136 1 15 . 1 1 59 59 ASN C C 59 175.372 175.372 175.357 0.015 17824 6137 1 15 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.245 -1.587 17824 6138 1 15 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.245 -0.136 17824 6139 1 15 . 1 1 59 59 ASN H H 59 7.617 7.617 8.157 -0.540 17824 6140 1 15 . 1 1 60 60 GLN N N 60 120.078 120.078 118.174 1.904 17824 6141 1 15 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.993 0.219 17824 6142 1 15 . 1 1 60 60 GLN C C 60 176.218 176.218 173.996 2.222 17824 6143 1 15 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.198 1.112 17824 6144 1 15 . 1 1 60 60 GLN CB C 60 28.650 28.650 28.096 0.554 17824 6145 1 15 . 1 1 60 60 GLN H H 60 8.116 8.116 8.036 0.080 17824 6146 1 15 . 1 1 61 61 ALA N N 61 122.298 122.298 126.875 -4.577 17824 6147 1 15 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.308 0.010 17824 6148 1 15 . 1 1 61 61 ALA C C 61 177.964 177.964 177.906 0.058 17824 6149 1 15 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.221 1.218 17824 6150 1 15 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.813 -1.161 17824 6151 1 15 . 1 1 61 61 ALA H H 61 8.345 8.345 8.280 0.065 17824 6152 1 15 . 1 1 62 62 SER N N 62 113.232 113.232 118.041 -4.809 17824 6153 1 15 . 1 1 62 62 SER HA H 62 4.454 4.454 4.134 0.320 17824 6154 1 15 . 1 1 62 62 SER C C 62 174.747 174.747 175.782 -1.035 17824 6155 1 15 . 1 1 62 62 SER CA C 62 58.197 58.197 61.020 -2.822 17824 6156 1 15 . 1 1 62 62 SER CB C 62 63.906 63.906 62.872 1.034 17824 6157 1 15 . 1 1 62 62 SER H H 62 8.011 8.011 8.725 -0.714 17824 6158 1 15 . 1 1 63 63 ALA N N 63 125.573 125.573 124.641 0.932 17824 6159 1 15 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.445 -0.262 17824 6160 1 15 . 1 1 63 63 ALA C C 63 178.091 178.091 177.627 0.464 17824 6161 1 15 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.873 0.133 17824 6162 1 15 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.500 -0.744 17824 6163 1 15 . 1 1 63 63 ALA H H 63 8.323 8.323 8.276 0.047 17824 6164 1 15 . 1 1 64 64 THR N N 64 111.006 111.006 113.231 -2.225 17824 6165 1 15 . 1 1 64 64 THR HA H 64 4.495 4.495 4.566 -0.071 17824 6166 1 15 . 1 1 64 64 THR C C 64 175.346 175.346 173.581 1.765 17824 6167 1 15 . 1 1 64 64 THR CA C 64 61.903 61.903 62.148 -0.245 17824 6168 1 15 . 1 1 64 64 THR CB C 64 69.903 69.903 72.388 -2.485 17824 6169 1 15 . 1 1 64 64 THR H H 64 8.071 8.071 7.705 0.366 17824 6170 1 15 . 1 1 65 65 SER N N 65 118.037 118.037 119.339 -1.302 17824 6171 1 15 . 1 1 65 65 SER HA H 65 4.524 4.524 4.425 0.099 17824 6172 1 15 . 1 1 65 65 SER C C 65 175.131 175.131 174.938 0.193 17824 6173 1 15 . 1 1 65 65 SER CA C 65 59.795 59.795 60.532 -0.737 17824 6174 1 15 . 1 1 65 65 SER CB C 65 63.833 63.833 63.770 0.063 17824 6175 1 15 . 1 1 65 65 SER H H 65 8.328 8.328 8.642 -0.314 17824 6176 1 15 . 1 1 66 66 GLU N N 66 121.505 121.505 120.229 1.276 17824 6177 1 15 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.131 0.183 17824 6178 1 15 . 1 1 66 66 GLU C C 66 176.394 176.394 175.479 0.915 17824 6179 1 15 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.593 -1.598 17824 6180 1 15 . 1 1 66 66 GLU CB C 66 30.310 30.310 29.728 0.582 17824 6181 1 15 . 1 1 66 66 GLU H H 66 8.368 8.368 8.577 -0.209 17824 6182 1 15 . 1 1 67 67 GLU N N 67 119.409 119.409 113.670 5.739 17824 6183 1 15 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.851 -0.560 17824 6184 1 15 . 1 1 67 67 GLU C C 67 175.079 175.079 175.560 -0.481 17824 6185 1 15 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.276 2.204 17824 6186 1 15 . 1 1 67 67 GLU CB C 67 29.931 29.931 30.938 -1.007 17824 6187 1 15 . 1 1 67 67 GLU H H 67 8.074 8.074 7.993 0.081 17824 6188 1 15 . 1 1 68 68 CYS N N 68 126.937 126.937 123.959 2.978 17824 6189 1 15 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.442 -0.154 17824 6190 1 15 . 1 1 68 68 CYS C C 68 174.423 174.423 174.280 0.143 17824 6191 1 15 . 1 1 68 68 CYS CA C 68 59.809 59.809 61.246 -1.437 17824 6192 1 15 . 1 1 68 68 CYS CB C 68 28.670 28.670 27.814 0.856 17824 6193 1 15 . 1 1 68 68 CYS H H 68 8.340 8.340 8.435 -0.095 17824 6194 1 15 . 1 1 69 69 THR N N 69 116.442 116.442 108.410 8.032 17824 6195 1 15 . 1 1 69 69 THR HA H 69 4.891 4.891 4.613 0.278 17824 6196 1 15 . 1 1 69 69 THR C C 69 175.561 175.561 172.698 2.863 17824 6197 1 15 . 1 1 69 69 THR CA C 69 60.817 60.817 61.205 -0.388 17824 6198 1 15 . 1 1 69 69 THR CB C 69 71.654 71.654 71.777 -0.123 17824 6199 1 15 . 1 1 69 69 THR H H 69 7.497 7.497 7.807 -0.310 17824 6200 1 15 . 1 1 70 70 VAL N N 70 123.637 123.637 122.986 0.651 17824 6201 1 15 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.681 -0.346 17824 6202 1 15 . 1 1 70 70 VAL C C 70 174.368 174.368 172.791 1.577 17824 6203 1 15 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.623 2.319 17824 6204 1 15 . 1 1 70 70 VAL CB C 70 33.897 33.897 36.050 -2.153 17824 6205 1 15 . 1 1 70 70 VAL H H 70 8.862 8.862 8.881 -0.019 17824 6206 1 15 . 1 1 71 71 ALA N N 71 128.540 128.540 128.885 -0.345 17824 6207 1 15 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.920 0.366 17824 6208 1 15 . 1 1 71 71 ALA C C 71 174.520 174.520 175.623 -1.103 17824 6209 1 15 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.267 0.505 17824 6210 1 15 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.909 1.066 17824 6211 1 15 . 1 1 71 71 ALA H H 71 9.247 9.247 8.925 0.322 17824 6212 1 15 . 1 1 72 72 TRP N N 72 120.167 120.167 122.250 -2.083 17824 6213 1 15 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.167 0.253 17824 6214 1 15 . 1 1 72 72 TRP C C 72 177.182 177.182 176.871 0.311 17824 6215 1 15 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.471 1.292 17824 6216 1 15 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.831 0.799 17824 6217 1 15 . 1 1 72 72 TRP H H 72 9.065 9.065 8.521 0.544 17824 6218 1 15 . 1 1 73 73 GLY N N 73 110.755 110.755 108.795 1.960 17824 6219 1 15 . 1 1 73 73 GLY C C 73 177.914 177.914 175.115 2.799 17824 6220 1 15 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.323 0.844 17824 6221 1 15 . 1 1 73 73 GLY H H 73 9.128 9.128 9.658 -0.530 17824 6222 1 15 . 1 1 74 74 VAL N N 74 122.747 122.747 125.169 -2.422 17824 6223 1 15 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.959 -0.123 17824 6224 1 15 . 1 1 74 74 VAL C C 74 176.014 176.014 176.848 -0.834 17824 6225 1 15 . 1 1 74 74 VAL CA C 74 64.993 64.993 64.461 0.532 17824 6226 1 15 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.325 0.395 17824 6227 1 15 . 1 1 74 74 VAL H H 74 8.299 8.299 8.433 -0.134 17824 6228 1 15 . 1 1 75 75 CYS N N 75 116.720 116.720 119.394 -2.674 17824 6229 1 15 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.334 -0.039 17824 6230 1 15 . 1 1 75 75 CYS C C 75 174.359 174.359 175.014 -0.655 17824 6231 1 15 . 1 1 75 75 CYS CA C 75 58.217 58.217 58.979 -0.762 17824 6232 1 15 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.569 4.132 17824 6233 1 15 . 1 1 75 75 CYS H H 75 7.567 7.567 8.029 -0.462 17824 6234 1 15 . 1 1 76 76 ASN N N 76 114.522 114.522 118.526 -4.004 17824 6235 1 15 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.226 0.208 17824 6236 1 15 . 1 1 76 76 ASN C C 76 173.726 173.726 173.088 0.638 17824 6237 1 15 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.292 1.360 17824 6238 1 15 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.612 0.336 17824 6239 1 15 . 1 1 76 76 ASN H H 76 8.060 8.060 7.916 0.144 17824 6240 1 15 . 1 1 77 77 HIS N N 77 117.754 117.754 116.235 1.519 17824 6241 1 15 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.849 -0.132 17824 6242 1 15 . 1 1 77 77 HIS C C 77 172.650 172.650 172.952 -0.302 17824 6243 1 15 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.860 2.966 17824 6244 1 15 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.303 -1.413 17824 6245 1 15 . 1 1 77 77 HIS H H 77 7.797 7.797 7.683 0.114 17824 6246 1 15 . 1 1 78 78 ALA N N 78 122.889 122.889 122.630 0.259 17824 6247 1 15 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.443 -0.494 17824 6248 1 15 . 1 1 78 78 ALA C C 78 174.873 174.873 174.957 -0.084 17824 6249 1 15 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.617 -2.088 17824 6250 1 15 . 1 1 78 78 ALA CB C 78 20.077 20.077 22.060 -1.983 17824 6251 1 15 . 1 1 78 78 ALA H H 78 7.811 7.811 8.380 -0.569 17824 6252 1 15 . 1 1 79 79 PHE N N 79 113.618 113.618 119.798 -6.180 17824 6253 1 15 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.739 -0.040 17824 6254 1 15 . 1 1 79 79 PHE C C 79 176.138 176.138 174.606 1.532 17824 6255 1 15 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.945 -1.596 17824 6256 1 15 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.383 2.203 17824 6257 1 15 . 1 1 79 79 PHE H H 79 8.377 8.377 8.768 -0.391 17824 6258 1 15 . 1 1 80 80 HIS N N 80 118.823 118.823 120.289 -1.466 17824 6259 1 15 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.803 0.026 17824 6260 1 15 . 1 1 80 80 HIS C C 80 177.268 177.268 176.487 0.781 17824 6261 1 15 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.310 4.638 17824 6262 1 15 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.625 -0.890 17824 6263 1 15 . 1 1 80 80 HIS H H 80 8.429 8.429 8.383 0.046 17824 6264 1 15 . 1 1 81 81 PHE N N 81 129.040 129.040 126.335 2.705 17824 6265 1 15 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.192 0.147 17824 6266 1 15 . 1 1 81 81 PHE C C 81 178.911 178.911 176.787 2.124 17824 6267 1 15 . 1 1 81 81 PHE CA C 81 61.838 61.838 61.946 -0.108 17824 6268 1 15 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.406 -0.350 17824 6269 1 15 . 1 1 81 81 PHE H H 81 9.881 9.881 8.665 1.216 17824 6270 1 15 . 1 1 82 82 HIS N N 82 120.611 120.611 119.087 1.524 17824 6271 1 15 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.040 0.246 17824 6272 1 15 . 1 1 82 82 HIS C C 82 177.694 177.694 177.361 0.333 17824 6273 1 15 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.927 -1.023 17824 6274 1 15 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.976 2.857 17824 6275 1 15 . 1 1 82 82 HIS H H 82 10.457 10.457 8.288 2.169 17824 6276 1 15 . 1 1 83 83 CYS N N 83 117.628 117.628 117.199 0.429 17824 6277 1 15 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.069 0.085 17824 6278 1 15 . 1 1 83 83 CYS C C 83 177.768 177.768 177.037 0.731 17824 6279 1 15 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.615 0.353 17824 6280 1 15 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.250 2.654 17824 6281 1 15 . 1 1 83 83 CYS H H 83 6.933 6.933 8.326 -1.393 17824 6282 1 15 . 1 1 84 84 ILE N N 84 119.139 119.139 120.575 -1.436 17824 6283 1 15 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.395 0.447 17824 6284 1 15 . 1 1 84 84 ILE C C 84 175.705 175.705 177.207 -1.502 17824 6285 1 15 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.461 -3.584 17824 6286 1 15 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.550 0.527 17824 6287 1 15 . 1 1 84 84 ILE H H 84 8.290 8.290 8.719 -0.429 17824 6288 1 15 . 1 1 85 85 SER N N 85 118.224 118.224 116.131 2.093 17824 6289 1 15 . 1 1 85 85 SER HA H 85 3.995 3.995 4.010 -0.015 17824 6290 1 15 . 1 1 85 85 SER C C 85 176.097 176.097 176.713 -0.616 17824 6291 1 15 . 1 1 85 85 SER CA C 85 62.841 62.841 61.713 1.128 17824 6292 1 15 . 1 1 85 85 SER CB C 85 62.009 62.009 62.542 -0.533 17824 6293 1 15 . 1 1 85 85 SER H H 85 8.157 8.157 8.191 -0.034 17824 6294 1 15 . 1 1 86 86 ARG N N 86 120.496 120.496 120.459 0.037 17824 6295 1 15 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.052 -0.028 17824 6296 1 15 . 1 1 86 86 ARG C C 86 179.382 179.382 178.596 0.786 17824 6297 1 15 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.289 1.576 17824 6298 1 15 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.562 0.298 17824 6299 1 15 . 1 1 86 86 ARG H H 86 7.174 7.174 7.574 -0.400 17824 6300 1 15 . 1 1 87 87 TRP N N 87 123.951 123.951 122.370 1.581 17824 6301 1 15 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.274 -0.115 17824 6302 1 15 . 1 1 87 87 TRP C C 87 177.572 177.572 178.447 -0.875 17824 6303 1 15 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.166 0.758 17824 6304 1 15 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.193 0.053 17824 6305 1 15 . 1 1 87 87 TRP H H 87 7.981 7.981 8.233 -0.252 17824 6306 1 15 . 1 1 88 88 LEU N N 88 116.707 116.707 118.101 -1.394 17824 6307 1 15 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.257 0.506 17824 6308 1 15 . 1 1 88 88 LEU C C 88 178.008 178.008 178.710 -0.702 17824 6309 1 15 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.717 -0.989 17824 6310 1 15 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.597 0.599 17824 6311 1 15 . 1 1 88 88 LEU H H 88 8.246 8.246 8.233 0.013 17824 6312 1 15 . 1 1 89 89 LYS N N 89 117.240 117.240 117.595 -0.355 17824 6313 1 15 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.054 0.027 17824 6314 1 15 . 1 1 89 89 LYS C C 89 178.385 178.385 178.108 0.277 17824 6315 1 15 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.611 0.299 17824 6316 1 15 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.103 0.201 17824 6317 1 15 . 1 1 89 89 LYS H H 89 7.309 7.309 7.829 -0.520 17824 6318 1 15 . 1 1 90 90 THR N N 90 106.446 106.446 108.105 -1.659 17824 6319 1 15 . 1 1 90 90 THR HA H 90 4.383 4.383 4.137 0.246 17824 6320 1 15 . 1 1 90 90 THR C C 90 173.919 173.919 174.824 -0.905 17824 6321 1 15 . 1 1 90 90 THR CA C 90 62.069 62.069 62.682 -0.613 17824 6322 1 15 . 1 1 90 90 THR CB C 90 70.133 70.133 69.607 0.526 17824 6323 1 15 . 1 1 90 90 THR H H 90 7.452 7.452 7.387 0.065 17824 6324 1 15 . 1 1 91 91 ARG N N 91 121.616 121.616 120.057 1.559 17824 6325 1 15 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.395 0.010 17824 6326 1 15 . 1 1 91 91 ARG C C 91 174.754 174.754 175.380 -0.626 17824 6327 1 15 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.785 1.048 17824 6328 1 15 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.171 1.714 17824 6329 1 15 . 1 1 91 91 ARG H H 91 7.426 7.426 7.797 -0.371 17824 6330 1 15 . 1 1 92 92 GLN N N 92 118.161 118.161 120.242 -2.081 17824 6331 1 15 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.240 0.468 17824 6332 1 15 . 1 1 92 92 GLN C C 92 176.437 176.437 174.942 1.495 17824 6333 1 15 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.895 -2.112 17824 6334 1 15 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.791 -0.833 17824 6335 1 15 . 1 1 92 92 GLN H H 92 8.526 8.526 8.632 -0.106 17824 6336 1 15 . 1 1 93 93 VAL N N 93 109.557 109.557 111.339 -1.782 17824 6337 1 15 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.950 0.115 17824 6338 1 15 . 1 1 93 93 VAL C C 93 174.806 174.806 175.187 -0.381 17824 6339 1 15 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.085 -0.737 17824 6340 1 15 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.628 0.680 17824 6341 1 15 . 1 1 93 93 VAL H H 93 7.083 7.083 7.107 -0.024 17824 6342 1 15 . 1 1 94 94 CYS N N 94 123.889 123.889 121.762 2.127 17824 6343 1 15 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.466 0.038 17824 6344 1 15 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.108 -4.247 17824 6345 1 15 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.463 4.302 17824 6346 1 15 . 1 1 94 94 CYS H H 94 9.020 9.020 9.197 -0.177 17824 6347 1 15 . 1 1 95 95 PRO HA H 95 4.080 4.080 3.718 0.362 17824 6348 1 15 . 1 1 95 95 PRO C C 95 177.037 177.037 176.103 0.934 17824 6349 1 15 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.715 -0.717 17824 6350 1 15 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.480 1.182 17824 6351 1 15 . 1 1 96 96 LEU N N 96 118.497 118.497 117.807 0.690 17824 6352 1 15 . 1 1 96 96 LEU HA H 96 4.316 4.316 3.962 0.354 17824 6353 1 15 . 1 1 96 96 LEU C C 96 177.797 177.797 177.872 -0.075 17824 6354 1 15 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.993 -1.181 17824 6355 1 15 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.182 1.892 17824 6356 1 15 . 1 1 96 96 LEU H H 96 8.798 8.798 7.441 1.357 17824 6357 1 15 . 1 1 97 97 ASP N N 97 114.958 114.958 118.506 -3.548 17824 6358 1 15 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.611 0.341 17824 6359 1 15 . 1 1 97 97 ASP C C 97 175.946 175.946 176.408 -0.462 17824 6360 1 15 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.245 -0.533 17824 6361 1 15 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.691 2.492 17824 6362 1 15 . 1 1 97 97 ASP H H 97 7.396 7.396 8.138 -0.742 17824 6363 1 15 . 1 1 98 98 ASN N N 98 115.407 115.407 113.681 1.726 17824 6364 1 15 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.415 0.008 17824 6365 1 15 . 1 1 98 98 ASN C C 98 173.934 173.934 173.863 0.071 17824 6366 1 15 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.358 0.944 17824 6367 1 15 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.195 1.801 17824 6368 1 15 . 1 1 98 98 ASN H H 98 8.332 8.332 8.135 0.197 17824 6369 1 15 . 1 1 99 99 ARG N N 99 119.005 119.005 117.378 1.627 17824 6370 1 15 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.590 -0.118 17824 6371 1 15 . 1 1 99 99 ARG C C 99 176.631 176.631 175.151 1.480 17824 6372 1 15 . 1 1 99 99 ARG CA C 99 55.821 55.821 53.467 2.354 17824 6373 1 15 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.328 -1.358 17824 6374 1 15 . 1 1 99 99 ARG H H 99 8.825 8.825 7.866 0.959 17824 6375 1 15 . 1 1 100 100 GLU N N 100 122.676 122.676 122.846 -0.170 17824 6376 1 15 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.250 -0.100 17824 6377 1 15 . 1 1 100 100 GLU C C 100 176.647 176.647 175.930 0.717 17824 6378 1 15 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.325 1.023 17824 6379 1 15 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.152 -0.418 17824 6380 1 15 . 1 1 100 100 GLU H H 100 8.869 8.869 8.724 0.145 17824 6381 1 15 . 1 1 101 101 TRP N N 101 126.288 126.288 129.919 -3.631 17824 6382 1 15 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.564 0.039 17824 6383 1 15 . 1 1 101 101 TRP C C 101 175.786 175.786 174.952 0.834 17824 6384 1 15 . 1 1 101 101 TRP CA C 101 57.935 57.935 58.222 -0.287 17824 6385 1 15 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.098 -0.340 17824 6386 1 15 . 1 1 101 101 TRP H H 101 8.437 8.437 8.202 0.235 17824 6387 1 15 . 1 1 102 102 GLU N N 102 127.912 127.912 123.161 4.751 17824 6388 1 15 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.193 0.079 17824 6389 1 15 . 1 1 102 102 GLU C C 102 174.791 174.791 174.518 0.273 17824 6390 1 15 . 1 1 102 102 GLU CA C 102 54.724 54.724 53.703 1.021 17824 6391 1 15 . 1 1 102 102 GLU CB C 102 33.255 33.255 32.948 0.307 17824 6392 1 15 . 1 1 102 102 GLU H H 102 7.319 7.319 7.401 -0.082 17824 6393 1 15 . 1 1 103 103 PHE N N 103 122.445 122.445 122.766 -0.321 17824 6394 1 15 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.866 -0.498 17824 6395 1 15 . 1 1 103 103 PHE C C 103 176.419 176.419 176.392 0.027 17824 6396 1 15 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.233 1.837 17824 6397 1 15 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.548 0.326 17824 6398 1 15 . 1 1 103 103 PHE H H 103 8.827 8.827 8.699 0.128 17824 6399 1 15 . 1 1 104 104 GLN N N 104 122.896 122.896 127.219 -4.323 17824 6400 1 15 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.345 -0.059 17824 6401 1 15 . 1 1 104 104 GLN C C 104 175.487 175.487 175.241 0.246 17824 6402 1 15 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.750 -1.480 17824 6403 1 15 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.114 0.432 17824 6404 1 15 . 1 1 104 104 GLN H H 104 9.119 9.119 8.890 0.229 17824 6405 1 15 . 1 1 105 105 LYS N N 105 121.917 121.917 117.639 4.278 17824 6406 1 15 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.731 -0.295 17824 6407 1 15 . 1 1 105 105 LYS C C 105 175.219 175.219 174.316 0.903 17824 6408 1 15 . 1 1 105 105 LYS CA C 105 56.282 56.282 56.160 0.122 17824 6409 1 15 . 1 1 105 105 LYS CB C 105 33.804 33.804 36.109 -2.305 17824 6410 1 15 . 1 1 105 105 LYS H H 105 8.308 8.308 7.902 0.406 17824 6411 1 15 . 1 1 106 106 TYR N N 106 121.451 121.451 120.440 1.011 17824 6412 1 15 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.867 -0.053 17824 6413 1 15 . 1 1 106 106 TYR C C 106 176.017 176.017 175.008 1.009 17824 6414 1 15 . 1 1 106 106 TYR CA C 106 57.828 57.828 56.616 1.212 17824 6415 1 15 . 1 1 106 106 TYR CB C 106 39.606 39.606 40.552 -0.946 17824 6416 1 15 . 1 1 106 106 TYR H H 106 8.431 8.431 8.169 0.262 17824 6417 1 15 . 1 1 107 107 GLY N N 107 110.965 110.965 108.750 2.215 17824 6418 1 15 . 1 1 107 107 GLY C C 107 172.723 172.723 173.792 -1.069 17824 6419 1 15 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.988 0.294 17824 6420 1 15 . 1 1 107 107 GLY H H 107 8.395 8.395 8.214 0.181 17824 6421 1 16 . 1 1 35 35 TRP N N 35 118.681 118.681 122.800 -4.119 17824 6422 1 16 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.781 -0.138 17824 6423 1 16 . 1 1 35 35 TRP C C 35 175.833 175.833 175.111 0.722 17824 6424 1 16 . 1 1 35 35 TRP CA C 35 56.900 56.900 55.848 1.052 17824 6425 1 16 . 1 1 35 35 TRP CB C 35 29.375 29.375 30.397 -1.022 17824 6426 1 16 . 1 1 35 35 TRP H H 35 7.831 7.831 8.598 -0.767 17824 6427 1 16 . 1 1 36 36 ASP N N 36 121.178 121.178 124.895 -3.717 17824 6428 1 16 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.767 -0.193 17824 6429 1 16 . 1 1 36 36 ASP C C 36 175.821 175.821 176.290 -0.469 17824 6430 1 16 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.111 1.511 17824 6431 1 16 . 1 1 36 36 ASP CB C 36 41.150 41.150 41.321 -0.171 17824 6432 1 16 . 1 1 36 36 ASP H H 36 8.111 8.111 8.584 -0.473 17824 6433 1 16 . 1 1 37 37 ILE N N 37 120.177 120.177 118.878 1.299 17824 6434 1 16 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.457 -0.301 17824 6435 1 16 . 1 1 37 37 ILE C C 37 175.817 175.817 175.746 0.071 17824 6436 1 16 . 1 1 37 37 ILE CA C 37 61.638 61.638 60.381 1.257 17824 6437 1 16 . 1 1 37 37 ILE CB C 37 39.034 39.034 38.092 0.943 17824 6438 1 16 . 1 1 37 37 ILE H H 37 7.820 7.820 7.970 -0.150 17824 6439 1 16 . 1 1 38 38 VAL N N 38 124.844 124.844 122.337 2.507 17824 6440 1 16 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.017 0.143 17824 6441 1 16 . 1 1 38 38 VAL C C 38 176.102 176.102 177.457 -1.355 17824 6442 1 16 . 1 1 38 38 VAL CA C 38 62.055 62.055 63.072 -1.018 17824 6443 1 16 . 1 1 38 38 VAL CB C 38 32.764 32.764 32.362 0.402 17824 6444 1 16 . 1 1 38 38 VAL H H 38 8.203 8.203 7.505 0.698 17824 6445 1 16 . 1 1 39 39 VAL N N 39 123.813 123.813 122.396 1.417 17824 6446 1 16 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.770 0.368 17824 6447 1 16 . 1 1 39 39 VAL C C 39 174.919 174.919 175.715 -0.796 17824 6448 1 16 . 1 1 39 39 VAL CA C 39 62.605 62.605 64.072 -1.467 17824 6449 1 16 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.532 1.293 17824 6450 1 16 . 1 1 39 39 VAL H H 39 8.163 8.163 8.444 -0.281 17824 6451 1 16 . 1 1 40 40 ASP N N 40 122.074 122.074 119.204 2.870 17824 6452 1 16 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.597 -0.129 17824 6453 1 16 . 1 1 40 40 ASP C C 40 174.408 174.408 175.342 -0.934 17824 6454 1 16 . 1 1 40 40 ASP CA C 40 54.389 54.389 54.869 -0.480 17824 6455 1 16 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.676 0.479 17824 6456 1 16 . 1 1 40 40 ASP H H 40 8.154 8.154 8.246 -0.092 17824 6457 1 16 . 1 1 41 41 ASN N N 41 115.983 115.983 114.957 1.026 17824 6458 1 16 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.718 0.044 17824 6459 1 16 . 1 1 41 41 ASN C C 41 174.643 174.643 172.750 1.893 17824 6460 1 16 . 1 1 41 41 ASN CA C 41 52.326 52.326 51.830 0.497 17824 6461 1 16 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.094 -0.711 17824 6462 1 16 . 1 1 41 41 ASN H H 41 7.901 7.901 7.835 0.066 17824 6463 1 16 . 1 1 42 42 CYS N N 42 123.612 123.612 118.993 4.619 17824 6464 1 16 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.559 -0.273 17824 6465 1 16 . 1 1 42 42 CYS C C 42 176.756 176.756 175.240 1.516 17824 6466 1 16 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.602 0.197 17824 6467 1 16 . 1 1 42 42 CYS CB C 42 30.773 30.773 27.445 3.328 17824 6468 1 16 . 1 1 42 42 CYS H H 42 8.503 8.503 8.620 -0.117 17824 6469 1 16 . 1 1 43 43 ALA N N 43 132.181 132.181 131.400 0.781 17824 6470 1 16 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.595 -0.430 17824 6471 1 16 . 1 1 43 43 ALA C C 43 177.706 177.706 177.854 -0.148 17824 6472 1 16 . 1 1 43 43 ALA CA C 43 53.643 53.643 53.819 -0.176 17824 6473 1 16 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.776 0.635 17824 6474 1 16 . 1 1 43 43 ALA H H 43 9.493 9.493 8.823 0.670 17824 6475 1 16 . 1 1 44 44 ILE N N 44 116.079 116.079 117.634 -1.555 17824 6476 1 16 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.719 0.077 17824 6477 1 16 . 1 1 44 44 ILE C C 44 176.208 176.208 177.282 -1.074 17824 6478 1 16 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.697 0.835 17824 6479 1 16 . 1 1 44 44 ILE CB C 44 39.092 39.092 38.116 0.976 17824 6480 1 16 . 1 1 44 44 ILE H H 44 7.956 7.956 7.874 0.082 17824 6481 1 16 . 1 1 45 45 CYS N N 45 116.456 116.456 113.300 3.156 17824 6482 1 16 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.749 0.275 17824 6483 1 16 . 1 1 45 45 CYS C C 45 175.747 175.747 175.039 0.708 17824 6484 1 16 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.237 1.944 17824 6485 1 16 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.651 3.227 17824 6486 1 16 . 1 1 45 45 CYS H H 45 7.818 7.818 7.847 -0.029 17824 6487 1 16 . 1 1 46 46 ARG N N 46 117.125 117.125 121.938 -4.813 17824 6488 1 16 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.152 -0.147 17824 6489 1 16 . 1 1 46 46 ARG C C 46 175.539 175.539 174.306 1.233 17824 6490 1 16 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.993 2.791 17824 6491 1 16 . 1 1 46 46 ARG CB C 46 26.594 26.594 28.086 -1.492 17824 6492 1 16 . 1 1 46 46 ARG H H 46 8.511 8.511 7.990 0.521 17824 6493 1 16 . 1 1 47 47 ASN N N 47 121.377 121.377 116.355 5.022 17824 6494 1 16 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.998 0.014 17824 6495 1 16 . 1 1 47 47 ASN C C 47 175.537 175.537 173.741 1.796 17824 6496 1 16 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.511 -2.489 17824 6497 1 16 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.739 -2.724 17824 6498 1 16 . 1 1 47 47 ASN H H 47 8.720 8.720 7.771 0.949 17824 6499 1 16 . 1 1 48 48 HIS N N 48 122.235 122.235 119.538 2.697 17824 6500 1 16 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.407 0.092 17824 6501 1 16 . 1 1 48 48 HIS C C 48 177.722 177.722 176.583 1.139 17824 6502 1 16 . 1 1 48 48 HIS CA C 48 58.872 58.872 58.040 0.832 17824 6503 1 16 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.323 -0.604 17824 6504 1 16 . 1 1 48 48 HIS H H 48 9.226 9.226 8.884 0.342 17824 6505 1 16 . 1 1 49 49 ILE N N 49 126.643 126.643 122.737 3.906 17824 6506 1 16 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.753 -0.353 17824 6507 1 16 . 1 1 49 49 ILE CA C 49 61.488 61.488 63.333 -1.845 17824 6508 1 16 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.545 0.426 17824 6509 1 16 . 1 1 49 49 ILE H H 49 7.991 7.991 7.426 0.565 17824 6510 1 16 . 1 1 50 50 MET HA H 50 4.268 4.268 4.960 -0.692 17824 6511 1 16 . 1 1 50 50 MET C C 50 177.236 177.236 175.065 2.171 17824 6512 1 16 . 1 1 50 50 MET CA C 50 54.795 54.795 53.423 1.372 17824 6513 1 16 . 1 1 50 50 MET CB C 50 31.357 31.357 32.096 -0.739 17824 6514 1 16 . 1 1 51 51 ASP N N 51 121.143 121.143 121.737 -0.594 17824 6515 1 16 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.123 -0.110 17824 6516 1 16 . 1 1 51 51 ASP C C 51 176.770 176.770 174.942 1.828 17824 6517 1 16 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.934 -2.831 17824 6518 1 16 . 1 1 51 51 ASP CB C 51 43.285 43.285 43.698 -0.413 17824 6519 1 16 . 1 1 51 51 ASP H H 51 7.854 7.854 7.955 -0.101 17824 6520 1 16 . 1 1 52 52 LEU N N 52 119.501 119.501 121.094 -1.593 17824 6521 1 16 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.263 0.083 17824 6522 1 16 . 1 1 52 52 LEU C C 52 177.049 177.049 176.662 0.387 17824 6523 1 16 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.382 0.049 17824 6524 1 16 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.735 0.620 17824 6525 1 16 . 1 1 52 52 LEU H H 52 8.484 8.484 8.491 -0.007 17824 6526 1 16 . 1 1 53 53 CYS N N 53 120.790 120.790 117.937 2.853 17824 6527 1 16 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.608 -0.762 17824 6528 1 16 . 1 1 53 53 CYS C C 53 175.247 175.247 176.505 -1.258 17824 6529 1 16 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.130 -0.299 17824 6530 1 16 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.556 3.088 17824 6531 1 16 . 1 1 53 53 CYS H H 53 8.151 8.151 8.152 -0.001 17824 6532 1 16 . 1 1 54 54 ILE N N 54 116.790 116.790 120.054 -3.264 17824 6533 1 16 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.629 0.306 17824 6534 1 16 . 1 1 54 54 ILE C C 54 176.615 176.615 178.073 -1.458 17824 6535 1 16 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.317 -1.411 17824 6536 1 16 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.133 1.901 17824 6537 1 16 . 1 1 54 54 ILE H H 54 6.626 6.626 8.751 -2.125 17824 6538 1 16 . 1 1 55 55 GLU N N 55 123.451 123.451 119.900 3.551 17824 6539 1 16 . 1 1 55 55 GLU HA H 55 4.154 4.154 3.980 0.174 17824 6540 1 16 . 1 1 55 55 GLU C C 55 179.075 179.075 178.520 0.555 17824 6541 1 16 . 1 1 55 55 GLU CA C 55 59.781 59.781 59.169 0.612 17824 6542 1 16 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.613 0.851 17824 6543 1 16 . 1 1 55 55 GLU H H 55 7.642 7.642 8.488 -0.846 17824 6544 1 16 . 1 1 56 56 CYS N N 56 124.445 124.445 117.339 7.106 17824 6545 1 16 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.037 -0.049 17824 6546 1 16 . 1 1 56 56 CYS C C 56 178.290 178.290 177.168 1.122 17824 6547 1 16 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.565 2.413 17824 6548 1 16 . 1 1 56 56 CYS CB C 56 29.652 29.652 25.996 3.656 17824 6549 1 16 . 1 1 56 56 CYS H H 56 8.676 8.676 8.252 0.424 17824 6550 1 16 . 1 1 57 57 GLN N N 57 117.736 117.736 120.200 -2.464 17824 6551 1 16 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.050 -0.158 17824 6552 1 16 . 1 1 57 57 GLN C C 57 177.428 177.428 177.535 -0.107 17824 6553 1 16 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.289 0.583 17824 6554 1 16 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.433 1.395 17824 6555 1 16 . 1 1 57 57 GLN H H 57 8.419 8.419 8.379 0.040 17824 6556 1 16 . 1 1 58 58 ALA N N 58 119.578 119.578 121.372 -1.794 17824 6557 1 16 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.237 0.040 17824 6558 1 16 . 1 1 58 58 ALA C C 58 178.087 178.087 178.679 -0.592 17824 6559 1 16 . 1 1 58 58 ALA CA C 58 53.522 53.522 54.138 -0.616 17824 6560 1 16 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.473 0.544 17824 6561 1 16 . 1 1 58 58 ALA H H 58 7.335 7.335 7.631 -0.296 17824 6562 1 16 . 1 1 59 59 ASN N N 59 116.209 116.209 116.658 -0.449 17824 6563 1 16 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.114 0.704 17824 6564 1 16 . 1 1 59 59 ASN C C 59 175.372 175.372 175.810 -0.438 17824 6565 1 16 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.700 -2.042 17824 6566 1 16 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.398 -0.289 17824 6567 1 16 . 1 1 59 59 ASN H H 59 7.617 7.617 8.120 -0.503 17824 6568 1 16 . 1 1 60 60 GLN N N 60 120.078 120.078 118.220 1.858 17824 6569 1 16 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.977 0.235 17824 6570 1 16 . 1 1 60 60 GLN C C 60 176.218 176.218 173.953 2.265 17824 6571 1 16 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.328 0.983 17824 6572 1 16 . 1 1 60 60 GLN CB C 60 28.650 28.650 27.246 1.404 17824 6573 1 16 . 1 1 60 60 GLN H H 60 8.116 8.116 8.051 0.065 17824 6574 1 16 . 1 1 61 61 ALA N N 61 122.298 122.298 127.739 -5.441 17824 6575 1 16 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.242 0.076 17824 6576 1 16 . 1 1 61 61 ALA C C 61 177.964 177.964 176.620 1.344 17824 6577 1 16 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.323 1.117 17824 6578 1 16 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.332 -0.680 17824 6579 1 16 . 1 1 61 61 ALA H H 61 8.345 8.345 7.870 0.475 17824 6580 1 16 . 1 1 62 62 SER N N 62 113.232 113.232 118.973 -5.741 17824 6581 1 16 . 1 1 62 62 SER HA H 62 4.454 4.454 4.459 -0.005 17824 6582 1 16 . 1 1 62 62 SER C C 62 174.747 174.747 174.220 0.527 17824 6583 1 16 . 1 1 62 62 SER CA C 62 58.197 58.197 58.083 0.114 17824 6584 1 16 . 1 1 62 62 SER CB C 62 63.906 63.906 62.792 1.114 17824 6585 1 16 . 1 1 62 62 SER H H 62 8.011 8.011 8.588 -0.577 17824 6586 1 16 . 1 1 63 63 ALA N N 63 125.573 125.573 130.335 -4.762 17824 6587 1 16 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.446 -0.263 17824 6588 1 16 . 1 1 63 63 ALA C C 63 178.091 178.091 176.661 1.430 17824 6589 1 16 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.887 0.119 17824 6590 1 16 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.974 -1.218 17824 6591 1 16 . 1 1 63 63 ALA H H 63 8.323 8.323 7.939 0.384 17824 6592 1 16 . 1 1 64 64 THR N N 64 111.006 111.006 116.472 -5.466 17824 6593 1 16 . 1 1 64 64 THR HA H 64 4.495 4.495 4.658 -0.163 17824 6594 1 16 . 1 1 64 64 THR C C 64 175.346 175.346 174.099 1.247 17824 6595 1 16 . 1 1 64 64 THR CA C 64 61.903 61.903 61.648 0.255 17824 6596 1 16 . 1 1 64 64 THR CB C 64 69.903 69.903 71.269 -1.366 17824 6597 1 16 . 1 1 64 64 THR H H 64 8.071 8.071 8.157 -0.086 17824 6598 1 16 . 1 1 65 65 SER N N 65 118.037 118.037 119.559 -1.522 17824 6599 1 16 . 1 1 65 65 SER HA H 65 4.524 4.524 4.521 0.003 17824 6600 1 16 . 1 1 65 65 SER C C 65 175.131 175.131 175.509 -0.378 17824 6601 1 16 . 1 1 65 65 SER CA C 65 59.795 59.795 59.544 0.251 17824 6602 1 16 . 1 1 65 65 SER CB C 65 63.833 63.833 64.028 -0.194 17824 6603 1 16 . 1 1 65 65 SER H H 65 8.328 8.328 8.746 -0.418 17824 6604 1 16 . 1 1 66 66 GLU N N 66 121.505 121.505 120.425 1.080 17824 6605 1 16 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.153 0.161 17824 6606 1 16 . 1 1 66 66 GLU C C 66 176.394 176.394 175.985 0.409 17824 6607 1 16 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.810 -1.815 17824 6608 1 16 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.101 0.209 17824 6609 1 16 . 1 1 66 66 GLU H H 66 8.368 8.368 8.425 -0.057 17824 6610 1 16 . 1 1 67 67 GLU N N 67 119.409 119.409 113.194 6.215 17824 6611 1 16 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.754 -0.463 17824 6612 1 16 . 1 1 67 67 GLU C C 67 175.079 175.079 175.346 -0.267 17824 6613 1 16 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.545 1.935 17824 6614 1 16 . 1 1 67 67 GLU CB C 67 29.931 29.931 31.147 -1.216 17824 6615 1 16 . 1 1 67 67 GLU H H 67 8.074 8.074 7.897 0.177 17824 6616 1 16 . 1 1 68 68 CYS N N 68 126.937 126.937 123.680 3.257 17824 6617 1 16 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.473 -0.185 17824 6618 1 16 . 1 1 68 68 CYS C C 68 174.423 174.423 174.361 0.062 17824 6619 1 16 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.334 -0.526 17824 6620 1 16 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.031 0.639 17824 6621 1 16 . 1 1 68 68 CYS H H 68 8.340 8.340 8.428 -0.088 17824 6622 1 16 . 1 1 69 69 THR N N 69 116.442 116.442 107.992 8.450 17824 6623 1 16 . 1 1 69 69 THR HA H 69 4.891 4.891 4.337 0.554 17824 6624 1 16 . 1 1 69 69 THR C C 69 175.561 175.561 172.648 2.913 17824 6625 1 16 . 1 1 69 69 THR CA C 69 60.817 60.817 61.625 -0.808 17824 6626 1 16 . 1 1 69 69 THR CB C 69 71.654 71.654 70.680 0.974 17824 6627 1 16 . 1 1 69 69 THR H H 69 7.497 7.497 7.574 -0.077 17824 6628 1 16 . 1 1 70 70 VAL N N 70 123.637 123.637 122.961 0.676 17824 6629 1 16 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.767 -0.432 17824 6630 1 16 . 1 1 70 70 VAL C C 70 174.368 174.368 172.961 1.407 17824 6631 1 16 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.198 2.744 17824 6632 1 16 . 1 1 70 70 VAL CB C 70 33.897 33.897 35.978 -2.082 17824 6633 1 16 . 1 1 70 70 VAL H H 70 8.862 8.862 8.255 0.607 17824 6634 1 16 . 1 1 71 71 ALA N N 71 128.540 128.540 127.053 1.487 17824 6635 1 16 . 1 1 71 71 ALA HA H 71 5.286 5.286 5.072 0.213 17824 6636 1 16 . 1 1 71 71 ALA C C 71 174.520 174.520 175.546 -1.026 17824 6637 1 16 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.537 0.235 17824 6638 1 16 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.901 1.073 17824 6639 1 16 . 1 1 71 71 ALA H H 71 9.247 9.247 8.916 0.331 17824 6640 1 16 . 1 1 72 72 TRP N N 72 120.167 120.167 121.905 -1.738 17824 6641 1 16 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.318 0.102 17824 6642 1 16 . 1 1 72 72 TRP C C 72 177.182 177.182 176.981 0.201 17824 6643 1 16 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.376 1.387 17824 6644 1 16 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.739 0.891 17824 6645 1 16 . 1 1 72 72 TRP H H 72 9.065 9.065 8.718 0.347 17824 6646 1 16 . 1 1 73 73 GLY N N 73 110.755 110.755 108.504 2.251 17824 6647 1 16 . 1 1 73 73 GLY C C 73 177.914 177.914 175.178 2.736 17824 6648 1 16 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.333 0.834 17824 6649 1 16 . 1 1 73 73 GLY H H 73 9.128 9.128 9.627 -0.499 17824 6650 1 16 . 1 1 74 74 VAL N N 74 122.747 122.747 124.178 -1.431 17824 6651 1 16 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.991 -0.155 17824 6652 1 16 . 1 1 74 74 VAL C C 74 176.014 176.014 176.793 -0.779 17824 6653 1 16 . 1 1 74 74 VAL CA C 74 64.993 64.993 64.517 0.476 17824 6654 1 16 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.405 0.315 17824 6655 1 16 . 1 1 74 74 VAL H H 74 8.299 8.299 8.118 0.181 17824 6656 1 16 . 1 1 75 75 CYS N N 75 116.720 116.720 118.554 -1.834 17824 6657 1 16 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.339 -0.044 17824 6658 1 16 . 1 1 75 75 CYS C C 75 174.359 174.359 174.575 -0.216 17824 6659 1 16 . 1 1 75 75 CYS CA C 75 58.217 58.217 58.788 -0.571 17824 6660 1 16 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.178 4.523 17824 6661 1 16 . 1 1 75 75 CYS H H 75 7.567 7.567 8.282 -0.715 17824 6662 1 16 . 1 1 76 76 ASN N N 76 114.522 114.522 118.889 -4.367 17824 6663 1 16 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.279 0.155 17824 6664 1 16 . 1 1 76 76 ASN C C 76 173.726 173.726 173.630 0.096 17824 6665 1 16 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.239 1.413 17824 6666 1 16 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.931 0.018 17824 6667 1 16 . 1 1 76 76 ASN H H 76 8.060 8.060 7.983 0.077 17824 6668 1 16 . 1 1 77 77 HIS N N 77 117.754 117.754 117.311 0.443 17824 6669 1 16 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.791 -0.074 17824 6670 1 16 . 1 1 77 77 HIS C C 77 172.650 172.650 172.977 -0.327 17824 6671 1 16 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.866 2.960 17824 6672 1 16 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.368 -1.479 17824 6673 1 16 . 1 1 77 77 HIS H H 77 7.797 7.797 7.549 0.248 17824 6674 1 16 . 1 1 78 78 ALA N N 78 122.889 122.889 123.392 -0.503 17824 6675 1 16 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.421 -0.472 17824 6676 1 16 . 1 1 78 78 ALA C C 78 174.873 174.873 174.944 -0.071 17824 6677 1 16 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.349 -1.820 17824 6678 1 16 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.744 -1.667 17824 6679 1 16 . 1 1 78 78 ALA H H 78 7.811 7.811 8.412 -0.601 17824 6680 1 16 . 1 1 79 79 PHE N N 79 113.618 113.618 119.922 -6.304 17824 6681 1 16 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.740 -0.041 17824 6682 1 16 . 1 1 79 79 PHE C C 79 176.138 176.138 174.870 1.268 17824 6683 1 16 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.675 -1.326 17824 6684 1 16 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.618 1.968 17824 6685 1 16 . 1 1 79 79 PHE H H 79 8.377 8.377 8.620 -0.243 17824 6686 1 16 . 1 1 80 80 HIS N N 80 118.823 118.823 120.461 -1.638 17824 6687 1 16 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.802 0.027 17824 6688 1 16 . 1 1 80 80 HIS C C 80 177.268 177.268 176.422 0.846 17824 6689 1 16 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.151 4.798 17824 6690 1 16 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.689 -0.954 17824 6691 1 16 . 1 1 80 80 HIS H H 80 8.429 8.429 8.369 0.060 17824 6692 1 16 . 1 1 81 81 PHE N N 81 129.040 129.040 126.046 2.994 17824 6693 1 16 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.235 0.104 17824 6694 1 16 . 1 1 81 81 PHE C C 81 178.911 178.911 176.704 2.207 17824 6695 1 16 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.301 -0.463 17824 6696 1 16 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.458 -0.402 17824 6697 1 16 . 1 1 81 81 PHE H H 81 9.881 9.881 8.775 1.106 17824 6698 1 16 . 1 1 82 82 HIS N N 82 120.611 120.611 119.057 1.554 17824 6699 1 16 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.068 0.218 17824 6700 1 16 . 1 1 82 82 HIS C C 82 177.694 177.694 177.284 0.410 17824 6701 1 16 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.888 -0.984 17824 6702 1 16 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.821 3.012 17824 6703 1 16 . 1 1 82 82 HIS H H 82 10.457 10.457 8.175 2.282 17824 6704 1 16 . 1 1 83 83 CYS N N 83 117.628 117.628 117.571 0.057 17824 6705 1 16 . 1 1 83 83 CYS HA H 83 4.154 4.154 3.977 0.177 17824 6706 1 16 . 1 1 83 83 CYS C C 83 177.768 177.768 176.727 1.041 17824 6707 1 16 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.641 0.327 17824 6708 1 16 . 1 1 83 83 CYS CB C 83 28.904 28.904 25.890 3.014 17824 6709 1 16 . 1 1 83 83 CYS H H 83 6.933 6.933 8.511 -1.578 17824 6710 1 16 . 1 1 84 84 ILE N N 84 119.139 119.139 120.530 -1.391 17824 6711 1 16 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.398 0.444 17824 6712 1 16 . 1 1 84 84 ILE C C 84 175.705 175.705 177.058 -1.353 17824 6713 1 16 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.547 -3.670 17824 6714 1 16 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.610 0.467 17824 6715 1 16 . 1 1 84 84 ILE H H 84 8.290 8.290 8.789 -0.499 17824 6716 1 16 . 1 1 85 85 SER N N 85 118.224 118.224 116.271 1.953 17824 6717 1 16 . 1 1 85 85 SER HA H 85 3.995 3.995 3.951 0.044 17824 6718 1 16 . 1 1 85 85 SER C C 85 176.097 176.097 176.614 -0.517 17824 6719 1 16 . 1 1 85 85 SER CA C 85 62.841 62.841 62.448 0.393 17824 6720 1 16 . 1 1 85 85 SER CB C 85 62.009 62.009 62.470 -0.461 17824 6721 1 16 . 1 1 85 85 SER H H 85 8.157 8.157 8.114 0.043 17824 6722 1 16 . 1 1 86 86 ARG N N 86 120.496 120.496 121.826 -1.330 17824 6723 1 16 . 1 1 86 86 ARG HA H 86 4.024 4.024 3.958 0.066 17824 6724 1 16 . 1 1 86 86 ARG C C 86 179.382 179.382 178.318 1.064 17824 6725 1 16 . 1 1 86 86 ARG CA C 86 59.865 59.865 59.196 0.669 17824 6726 1 16 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.939 -0.079 17824 6727 1 16 . 1 1 86 86 ARG H H 86 7.174 7.174 7.681 -0.507 17824 6728 1 16 . 1 1 87 87 TRP N N 87 123.951 123.951 122.354 1.597 17824 6729 1 16 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.234 -0.075 17824 6730 1 16 . 1 1 87 87 TRP C C 87 177.572 177.572 177.991 -0.419 17824 6731 1 16 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.090 0.834 17824 6732 1 16 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.464 -0.218 17824 6733 1 16 . 1 1 87 87 TRP H H 87 7.981 7.981 8.298 -0.317 17824 6734 1 16 . 1 1 88 88 LEU N N 88 116.707 116.707 117.359 -0.652 17824 6735 1 16 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.224 0.539 17824 6736 1 16 . 1 1 88 88 LEU C C 88 178.008 178.008 178.885 -0.877 17824 6737 1 16 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.761 -1.033 17824 6738 1 16 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.654 0.542 17824 6739 1 16 . 1 1 88 88 LEU H H 88 8.246 8.246 8.193 0.053 17824 6740 1 16 . 1 1 89 89 LYS N N 89 117.240 117.240 117.862 -0.622 17824 6741 1 16 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.023 0.058 17824 6742 1 16 . 1 1 89 89 LYS C C 89 178.385 178.385 178.016 0.369 17824 6743 1 16 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.727 0.184 17824 6744 1 16 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.441 -0.138 17824 6745 1 16 . 1 1 89 89 LYS H H 89 7.309 7.309 7.712 -0.403 17824 6746 1 16 . 1 1 90 90 THR N N 90 106.446 106.446 108.175 -1.729 17824 6747 1 16 . 1 1 90 90 THR HA H 90 4.383 4.383 4.106 0.277 17824 6748 1 16 . 1 1 90 90 THR C C 90 173.919 173.919 175.008 -1.089 17824 6749 1 16 . 1 1 90 90 THR CA C 90 62.069 62.069 62.317 -0.248 17824 6750 1 16 . 1 1 90 90 THR CB C 90 70.133 70.133 69.693 0.440 17824 6751 1 16 . 1 1 90 90 THR H H 90 7.452 7.452 7.399 0.053 17824 6752 1 16 . 1 1 91 91 ARG N N 91 121.616 121.616 120.248 1.368 17824 6753 1 16 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.404 0.001 17824 6754 1 16 . 1 1 91 91 ARG C C 91 174.754 174.754 175.044 -0.290 17824 6755 1 16 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.678 1.155 17824 6756 1 16 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.209 1.676 17824 6757 1 16 . 1 1 91 91 ARG H H 91 7.426 7.426 7.804 -0.378 17824 6758 1 16 . 1 1 92 92 GLN N N 92 118.161 118.161 120.123 -1.962 17824 6759 1 16 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.330 0.378 17824 6760 1 16 . 1 1 92 92 GLN C C 92 176.437 176.437 174.864 1.573 17824 6761 1 16 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.289 -1.506 17824 6762 1 16 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.974 -1.016 17824 6763 1 16 . 1 1 92 92 GLN H H 92 8.526 8.526 8.636 -0.110 17824 6764 1 16 . 1 1 93 93 VAL N N 93 109.557 109.557 111.500 -1.943 17824 6765 1 16 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.847 0.218 17824 6766 1 16 . 1 1 93 93 VAL C C 93 174.806 174.806 175.098 -0.292 17824 6767 1 16 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.109 -0.761 17824 6768 1 16 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.576 0.732 17824 6769 1 16 . 1 1 93 93 VAL H H 93 7.083 7.083 7.178 -0.095 17824 6770 1 16 . 1 1 94 94 CYS N N 94 123.889 123.889 122.068 1.821 17824 6771 1 16 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.553 -0.049 17824 6772 1 16 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.229 -4.369 17824 6773 1 16 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.439 4.325 17824 6774 1 16 . 1 1 94 94 CYS H H 94 9.020 9.020 9.251 -0.231 17824 6775 1 16 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.116 -0.036 17824 6776 1 16 . 1 1 95 95 PRO C C 95 177.037 177.037 176.865 0.172 17824 6777 1 16 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.986 -0.987 17824 6778 1 16 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.811 0.851 17824 6779 1 16 . 1 1 96 96 LEU N N 96 118.497 118.497 117.269 1.228 17824 6780 1 16 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.068 0.248 17824 6781 1 16 . 1 1 96 96 LEU C C 96 177.797 177.797 178.103 -0.306 17824 6782 1 16 . 1 1 96 96 LEU CA C 96 55.812 55.812 57.178 -1.366 17824 6783 1 16 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.389 1.685 17824 6784 1 16 . 1 1 96 96 LEU H H 96 8.798 8.798 7.774 1.024 17824 6785 1 16 . 1 1 97 97 ASP N N 97 114.958 114.958 117.679 -2.721 17824 6786 1 16 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.702 0.250 17824 6787 1 16 . 1 1 97 97 ASP C C 97 175.946 175.946 176.164 -0.218 17824 6788 1 16 . 1 1 97 97 ASP CA C 97 54.712 54.712 54.441 0.271 17824 6789 1 16 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.905 2.278 17824 6790 1 16 . 1 1 97 97 ASP H H 97 7.396 7.396 8.043 -0.647 17824 6791 1 16 . 1 1 98 98 ASN N N 98 115.407 115.407 115.365 0.042 17824 6792 1 16 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.545 -0.121 17824 6793 1 16 . 1 1 98 98 ASN C C 98 173.934 173.934 173.972 -0.038 17824 6794 1 16 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.399 0.903 17824 6795 1 16 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.840 1.156 17824 6796 1 16 . 1 1 98 98 ASN H H 98 8.332 8.332 8.279 0.053 17824 6797 1 16 . 1 1 99 99 ARG N N 99 119.005 119.005 118.138 0.867 17824 6798 1 16 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.565 -0.093 17824 6799 1 16 . 1 1 99 99 ARG C C 99 176.631 176.631 175.285 1.346 17824 6800 1 16 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.356 1.465 17824 6801 1 16 . 1 1 99 99 ARG CB C 99 30.970 30.970 33.240 -2.270 17824 6802 1 16 . 1 1 99 99 ARG H H 99 8.825 8.825 8.056 0.769 17824 6803 1 16 . 1 1 100 100 GLU N N 100 122.676 122.676 123.952 -1.276 17824 6804 1 16 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.289 -0.139 17824 6805 1 16 . 1 1 100 100 GLU C C 100 176.647 176.647 176.025 0.622 17824 6806 1 16 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.423 0.925 17824 6807 1 16 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.274 -0.540 17824 6808 1 16 . 1 1 100 100 GLU H H 100 8.869 8.869 8.800 0.069 17824 6809 1 16 . 1 1 101 101 TRP N N 101 126.288 126.288 130.255 -3.967 17824 6810 1 16 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.674 -0.071 17824 6811 1 16 . 1 1 101 101 TRP C C 101 175.786 175.786 175.307 0.479 17824 6812 1 16 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.793 0.142 17824 6813 1 16 . 1 1 101 101 TRP CB C 101 29.758 29.758 29.972 -0.214 17824 6814 1 16 . 1 1 101 101 TRP H H 101 8.437 8.437 8.103 0.334 17824 6815 1 16 . 1 1 102 102 GLU N N 102 127.912 127.912 124.522 3.390 17824 6816 1 16 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.313 -0.041 17824 6817 1 16 . 1 1 102 102 GLU C C 102 174.791 174.791 174.799 -0.008 17824 6818 1 16 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.099 0.625 17824 6819 1 16 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.028 0.227 17824 6820 1 16 . 1 1 102 102 GLU H H 102 7.319 7.319 7.737 -0.418 17824 6821 1 16 . 1 1 103 103 PHE N N 103 122.445 122.445 122.684 -0.239 17824 6822 1 16 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.793 -0.425 17824 6823 1 16 . 1 1 103 103 PHE C C 103 176.419 176.419 176.050 0.369 17824 6824 1 16 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.430 1.640 17824 6825 1 16 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.660 0.214 17824 6826 1 16 . 1 1 103 103 PHE H H 103 8.827 8.827 8.739 0.088 17824 6827 1 16 . 1 1 104 104 GLN N N 104 122.896 122.896 126.823 -3.927 17824 6828 1 16 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.357 -0.071 17824 6829 1 16 . 1 1 104 104 GLN C C 104 175.487 175.487 175.207 0.280 17824 6830 1 16 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.532 -1.262 17824 6831 1 16 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.225 0.321 17824 6832 1 16 . 1 1 104 104 GLN H H 104 9.119 9.119 9.008 0.111 17824 6833 1 16 . 1 1 105 105 LYS N N 105 121.917 121.917 117.209 4.708 17824 6834 1 16 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.592 -0.156 17824 6835 1 16 . 1 1 105 105 LYS C C 105 175.219 175.219 174.271 0.948 17824 6836 1 16 . 1 1 105 105 LYS CA C 105 56.282 56.282 56.331 -0.049 17824 6837 1 16 . 1 1 105 105 LYS CB C 105 33.804 33.804 35.284 -1.480 17824 6838 1 16 . 1 1 105 105 LYS H H 105 8.308 8.308 7.930 0.378 17824 6839 1 16 . 1 1 106 106 TYR N N 106 121.451 121.451 120.616 0.835 17824 6840 1 16 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.926 -0.112 17824 6841 1 16 . 1 1 106 106 TYR C C 106 176.017 176.017 175.502 0.515 17824 6842 1 16 . 1 1 106 106 TYR CA C 106 57.828 57.828 56.229 1.599 17824 6843 1 16 . 1 1 106 106 TYR CB C 106 39.606 39.606 40.414 -0.808 17824 6844 1 16 . 1 1 106 106 TYR H H 106 8.431 8.431 8.106 0.325 17824 6845 1 16 . 1 1 107 107 GLY N N 107 110.965 110.965 109.351 1.614 17824 6846 1 16 . 1 1 107 107 GLY C C 107 172.723 172.723 173.921 -1.198 17824 6847 1 16 . 1 1 107 107 GLY CA C 107 45.282 45.282 45.037 0.245 17824 6848 1 16 . 1 1 107 107 GLY H H 107 8.395 8.395 8.815 -0.420 17824 6849 1 17 . 1 1 35 35 TRP N N 35 118.681 118.681 122.706 -4.025 17824 6850 1 17 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.772 -0.129 17824 6851 1 17 . 1 1 35 35 TRP C C 35 175.833 175.833 175.598 0.235 17824 6852 1 17 . 1 1 35 35 TRP CA C 35 56.900 56.900 57.308 -0.408 17824 6853 1 17 . 1 1 35 35 TRP CB C 35 29.375 29.375 29.973 -0.598 17824 6854 1 17 . 1 1 35 35 TRP H H 35 7.831 7.831 8.207 -0.376 17824 6855 1 17 . 1 1 36 36 ASP N N 36 121.178 121.178 118.931 2.247 17824 6856 1 17 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.775 -0.201 17824 6857 1 17 . 1 1 36 36 ASP C C 36 175.821 175.821 174.672 1.149 17824 6858 1 17 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.515 1.107 17824 6859 1 17 . 1 1 36 36 ASP CB C 36 41.150 41.150 43.057 -1.907 17824 6860 1 17 . 1 1 36 36 ASP H H 36 8.111 8.111 8.231 -0.120 17824 6861 1 17 . 1 1 37 37 ILE N N 37 120.177 120.177 116.888 3.289 17824 6862 1 17 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.415 -0.259 17824 6863 1 17 . 1 1 37 37 ILE C C 37 175.817 175.817 174.892 0.925 17824 6864 1 17 . 1 1 37 37 ILE CA C 37 61.638 61.638 60.228 1.410 17824 6865 1 17 . 1 1 37 37 ILE CB C 37 39.034 39.034 37.865 1.169 17824 6866 1 17 . 1 1 37 37 ILE H H 37 7.820 7.820 8.327 -0.507 17824 6867 1 17 . 1 1 38 38 VAL N N 38 124.844 124.844 127.652 -2.808 17824 6868 1 17 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.378 -0.218 17824 6869 1 17 . 1 1 38 38 VAL C C 38 176.102 176.102 175.848 0.254 17824 6870 1 17 . 1 1 38 38 VAL CA C 38 62.055 62.055 60.783 1.272 17824 6871 1 17 . 1 1 38 38 VAL CB C 38 32.764 32.764 35.664 -2.900 17824 6872 1 17 . 1 1 38 38 VAL H H 38 8.203 8.203 8.317 -0.114 17824 6873 1 17 . 1 1 39 39 VAL N N 39 123.813 123.813 127.139 -3.326 17824 6874 1 17 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.950 0.188 17824 6875 1 17 . 1 1 39 39 VAL C C 39 174.919 174.919 175.108 -0.189 17824 6876 1 17 . 1 1 39 39 VAL CA C 39 62.605 62.605 63.373 -0.768 17824 6877 1 17 . 1 1 39 39 VAL CB C 39 32.825 32.825 30.541 2.284 17824 6878 1 17 . 1 1 39 39 VAL H H 39 8.163 8.163 8.879 -0.716 17824 6879 1 17 . 1 1 40 40 ASP N N 40 122.074 122.074 121.817 0.257 17824 6880 1 17 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.601 -0.133 17824 6881 1 17 . 1 1 40 40 ASP C C 40 174.408 174.408 174.275 0.133 17824 6882 1 17 . 1 1 40 40 ASP CA C 40 54.389 54.389 53.885 0.504 17824 6883 1 17 . 1 1 40 40 ASP CB C 40 41.155 41.155 41.130 0.025 17824 6884 1 17 . 1 1 40 40 ASP H H 40 8.154 8.154 8.744 -0.590 17824 6885 1 17 . 1 1 41 41 ASN N N 41 115.983 115.983 115.612 0.371 17824 6886 1 17 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.707 0.055 17824 6887 1 17 . 1 1 41 41 ASN C C 41 174.643 174.643 172.912 1.731 17824 6888 1 17 . 1 1 41 41 ASN CA C 41 52.326 52.326 51.856 0.470 17824 6889 1 17 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.024 -0.640 17824 6890 1 17 . 1 1 41 41 ASN H H 41 7.901 7.901 7.691 0.210 17824 6891 1 17 . 1 1 42 42 CYS N N 42 123.612 123.612 119.380 4.232 17824 6892 1 17 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.567 -0.281 17824 6893 1 17 . 1 1 42 42 CYS C C 42 176.756 176.756 175.057 1.699 17824 6894 1 17 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.790 0.010 17824 6895 1 17 . 1 1 42 42 CYS CB C 42 30.773 30.773 27.280 3.493 17824 6896 1 17 . 1 1 42 42 CYS H H 42 8.503 8.503 8.527 -0.024 17824 6897 1 17 . 1 1 43 43 ALA N N 43 132.181 132.181 130.725 1.456 17824 6898 1 17 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.510 -0.345 17824 6899 1 17 . 1 1 43 43 ALA C C 43 177.706 177.706 177.851 -0.145 17824 6900 1 17 . 1 1 43 43 ALA CA C 43 53.643 53.643 53.813 -0.170 17824 6901 1 17 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.690 0.721 17824 6902 1 17 . 1 1 43 43 ALA H H 43 9.493 9.493 8.900 0.593 17824 6903 1 17 . 1 1 44 44 ILE N N 44 116.079 116.079 117.632 -1.553 17824 6904 1 17 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.665 0.131 17824 6905 1 17 . 1 1 44 44 ILE C C 44 176.208 176.208 177.349 -1.141 17824 6906 1 17 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.428 1.104 17824 6907 1 17 . 1 1 44 44 ILE CB C 44 39.092 39.092 38.151 0.941 17824 6908 1 17 . 1 1 44 44 ILE H H 44 7.956 7.956 7.779 0.177 17824 6909 1 17 . 1 1 45 45 CYS N N 45 116.456 116.456 112.839 3.617 17824 6910 1 17 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.589 0.435 17824 6911 1 17 . 1 1 45 45 CYS C C 45 175.747 175.747 174.439 1.308 17824 6912 1 17 . 1 1 45 45 CYS CA C 45 59.181 59.181 56.881 2.300 17824 6913 1 17 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.650 3.228 17824 6914 1 17 . 1 1 45 45 CYS H H 45 7.818 7.818 7.909 -0.091 17824 6915 1 17 . 1 1 46 46 ARG N N 46 117.125 117.125 121.002 -3.877 17824 6916 1 17 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.194 -0.189 17824 6917 1 17 . 1 1 46 46 ARG C C 46 175.539 175.539 174.397 1.142 17824 6918 1 17 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.759 3.025 17824 6919 1 17 . 1 1 46 46 ARG CB C 46 26.594 26.594 28.350 -1.756 17824 6920 1 17 . 1 1 46 46 ARG H H 46 8.511 8.511 8.380 0.131 17824 6921 1 17 . 1 1 47 47 ASN N N 47 121.377 121.377 115.133 6.244 17824 6922 1 17 . 1 1 47 47 ASN HA H 47 5.012 5.012 5.001 0.011 17824 6923 1 17 . 1 1 47 47 ASN C C 47 175.537 175.537 173.519 2.018 17824 6924 1 17 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.448 -2.426 17824 6925 1 17 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.627 -2.612 17824 6926 1 17 . 1 1 47 47 ASN H H 47 8.720 8.720 7.672 1.048 17824 6927 1 17 . 1 1 48 48 HIS N N 48 122.235 122.235 118.317 3.918 17824 6928 1 17 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.501 -0.002 17824 6929 1 17 . 1 1 48 48 HIS C C 48 177.722 177.722 176.101 1.621 17824 6930 1 17 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.956 0.916 17824 6931 1 17 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.805 -1.085 17824 6932 1 17 . 1 1 48 48 HIS H H 48 9.226 9.226 8.682 0.544 17824 6933 1 17 . 1 1 49 49 ILE N N 49 126.643 126.643 122.213 4.430 17824 6934 1 17 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.674 -0.274 17824 6935 1 17 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.730 -1.242 17824 6936 1 17 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.821 0.150 17824 6937 1 17 . 1 1 49 49 ILE H H 49 7.991 7.991 7.089 0.902 17824 6938 1 17 . 1 1 50 50 MET HA H 50 4.268 4.268 4.748 -0.480 17824 6939 1 17 . 1 1 50 50 MET C C 50 177.236 177.236 174.307 2.929 17824 6940 1 17 . 1 1 50 50 MET CA C 50 54.795 54.795 55.060 -0.265 17824 6941 1 17 . 1 1 50 50 MET CB C 50 31.357 31.357 33.171 -1.814 17824 6942 1 17 . 1 1 51 51 ASP N N 51 121.143 121.143 123.727 -2.584 17824 6943 1 17 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.310 -0.297 17824 6944 1 17 . 1 1 51 51 ASP C C 51 176.770 176.770 174.543 2.227 17824 6945 1 17 . 1 1 51 51 ASP CA C 51 50.103 50.103 53.154 -3.050 17824 6946 1 17 . 1 1 51 51 ASP CB C 51 43.285 43.285 43.677 -0.392 17824 6947 1 17 . 1 1 51 51 ASP H H 51 7.854 7.854 8.154 -0.300 17824 6948 1 17 . 1 1 52 52 LEU N N 52 119.501 119.501 121.420 -1.919 17824 6949 1 17 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.280 0.066 17824 6950 1 17 . 1 1 52 52 LEU C C 52 177.049 177.049 176.323 0.726 17824 6951 1 17 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.489 -0.058 17824 6952 1 17 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.808 0.547 17824 6953 1 17 . 1 1 52 52 LEU H H 52 8.484 8.484 8.570 -0.086 17824 6954 1 17 . 1 1 53 53 CYS N N 53 120.790 120.790 117.790 3.000 17824 6955 1 17 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.561 -0.715 17824 6956 1 17 . 1 1 53 53 CYS C C 53 175.247 175.247 176.687 -1.440 17824 6957 1 17 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.432 -0.601 17824 6958 1 17 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.451 3.193 17824 6959 1 17 . 1 1 53 53 CYS H H 53 8.151 8.151 8.138 0.013 17824 6960 1 17 . 1 1 54 54 ILE N N 54 116.790 116.790 120.705 -3.915 17824 6961 1 17 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.710 0.225 17824 6962 1 17 . 1 1 54 54 ILE C C 54 176.615 176.615 177.830 -1.215 17824 6963 1 17 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.783 -1.877 17824 6964 1 17 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.434 1.600 17824 6965 1 17 . 1 1 54 54 ILE H H 54 6.626 6.626 8.722 -2.096 17824 6966 1 17 . 1 1 55 55 GLU N N 55 123.451 123.451 119.853 3.598 17824 6967 1 17 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.156 -0.002 17824 6968 1 17 . 1 1 55 55 GLU C C 55 179.075 179.075 179.011 0.064 17824 6969 1 17 . 1 1 55 55 GLU CA C 55 59.781 59.781 59.101 0.680 17824 6970 1 17 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.104 1.360 17824 6971 1 17 . 1 1 55 55 GLU H H 55 7.642 7.642 8.538 -0.896 17824 6972 1 17 . 1 1 56 56 CYS N N 56 124.445 124.445 117.983 6.462 17824 6973 1 17 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.122 -0.134 17824 6974 1 17 . 1 1 56 56 CYS C C 56 178.290 178.290 177.240 1.050 17824 6975 1 17 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.461 2.517 17824 6976 1 17 . 1 1 56 56 CYS CB C 56 29.652 29.652 25.617 4.035 17824 6977 1 17 . 1 1 56 56 CYS H H 56 8.676 8.676 8.473 0.203 17824 6978 1 17 . 1 1 57 57 GLN N N 57 117.736 117.736 120.161 -2.425 17824 6979 1 17 . 1 1 57 57 GLN HA H 57 3.892 3.892 3.986 -0.094 17824 6980 1 17 . 1 1 57 57 GLN C C 57 177.428 177.428 177.419 0.009 17824 6981 1 17 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.490 0.382 17824 6982 1 17 . 1 1 57 57 GLN CB C 57 28.828 28.828 28.066 0.762 17824 6983 1 17 . 1 1 57 57 GLN H H 57 8.419 8.419 8.527 -0.108 17824 6984 1 17 . 1 1 58 58 ALA N N 58 119.578 119.578 121.414 -1.836 17824 6985 1 17 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.201 0.076 17824 6986 1 17 . 1 1 58 58 ALA C C 58 178.087 178.087 178.880 -0.793 17824 6987 1 17 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.684 -0.161 17824 6988 1 17 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.517 0.500 17824 6989 1 17 . 1 1 58 58 ALA H H 58 7.335 7.335 7.658 -0.323 17824 6990 1 17 . 1 1 59 59 ASN N N 59 116.209 116.209 116.601 -0.392 17824 6991 1 17 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.539 0.279 17824 6992 1 17 . 1 1 59 59 ASN C C 59 175.372 175.372 175.605 -0.233 17824 6993 1 17 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.514 -1.856 17824 6994 1 17 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.377 -0.268 17824 6995 1 17 . 1 1 59 59 ASN H H 59 7.617 7.617 8.218 -0.601 17824 6996 1 17 . 1 1 60 60 GLN N N 60 120.078 120.078 116.629 3.449 17824 6997 1 17 . 1 1 60 60 GLN HA H 60 4.212 4.212 4.011 0.201 17824 6998 1 17 . 1 1 60 60 GLN C C 60 176.218 176.218 174.295 1.923 17824 6999 1 17 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.140 1.170 17824 7000 1 17 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.208 2.442 17824 7001 1 17 . 1 1 60 60 GLN H H 60 8.116 8.116 8.163 -0.047 17824 7002 1 17 . 1 1 61 61 ALA N N 61 122.298 122.298 125.316 -3.018 17824 7003 1 17 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.205 0.113 17824 7004 1 17 . 1 1 61 61 ALA C C 61 177.964 177.964 178.274 -0.310 17824 7005 1 17 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.251 1.189 17824 7006 1 17 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.857 -1.205 17824 7007 1 17 . 1 1 61 61 ALA H H 61 8.345 8.345 8.252 0.093 17824 7008 1 17 . 1 1 62 62 SER N N 62 113.232 113.232 119.055 -5.823 17824 7009 1 17 . 1 1 62 62 SER HA H 62 4.454 4.454 4.060 0.394 17824 7010 1 17 . 1 1 62 62 SER C C 62 174.747 174.747 175.430 -0.683 17824 7011 1 17 . 1 1 62 62 SER CA C 62 58.197 58.197 61.022 -2.825 17824 7012 1 17 . 1 1 62 62 SER CB C 62 63.906 63.906 63.270 0.636 17824 7013 1 17 . 1 1 62 62 SER H H 62 8.011 8.011 8.820 -0.809 17824 7014 1 17 . 1 1 63 63 ALA N N 63 125.573 125.573 124.271 1.302 17824 7015 1 17 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.382 -0.199 17824 7016 1 17 . 1 1 63 63 ALA C C 63 178.091 178.091 177.192 0.899 17824 7017 1 17 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.846 0.160 17824 7018 1 17 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.426 -0.670 17824 7019 1 17 . 1 1 63 63 ALA H H 63 8.323 8.323 8.051 0.272 17824 7020 1 17 . 1 1 64 64 THR N N 64 111.006 111.006 113.318 -2.312 17824 7021 1 17 . 1 1 64 64 THR HA H 64 4.495 4.495 4.537 -0.042 17824 7022 1 17 . 1 1 64 64 THR C C 64 175.346 175.346 173.409 1.937 17824 7023 1 17 . 1 1 64 64 THR CA C 64 61.903 61.903 62.240 -0.337 17824 7024 1 17 . 1 1 64 64 THR CB C 64 69.903 69.903 71.870 -1.966 17824 7025 1 17 . 1 1 64 64 THR H H 64 8.071 8.071 8.215 -0.144 17824 7026 1 17 . 1 1 65 65 SER N N 65 118.037 118.037 120.041 -2.004 17824 7027 1 17 . 1 1 65 65 SER HA H 65 4.524 4.524 4.525 -0.001 17824 7028 1 17 . 1 1 65 65 SER C C 65 175.131 175.131 174.737 0.394 17824 7029 1 17 . 1 1 65 65 SER CA C 65 59.795 59.795 59.565 0.230 17824 7030 1 17 . 1 1 65 65 SER CB C 65 63.833 63.833 63.969 -0.136 17824 7031 1 17 . 1 1 65 65 SER H H 65 8.328 8.328 8.630 -0.302 17824 7032 1 17 . 1 1 66 66 GLU N N 66 121.505 121.505 120.831 0.674 17824 7033 1 17 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.128 0.186 17824 7034 1 17 . 1 1 66 66 GLU C C 66 176.394 176.394 175.654 0.740 17824 7035 1 17 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.534 -1.539 17824 7036 1 17 . 1 1 66 66 GLU CB C 66 30.310 30.310 29.908 0.402 17824 7037 1 17 . 1 1 66 66 GLU H H 66 8.368 8.368 8.572 -0.204 17824 7038 1 17 . 1 1 67 67 GLU N N 67 119.409 119.409 112.859 6.550 17824 7039 1 17 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.618 -0.327 17824 7040 1 17 . 1 1 67 67 GLU C C 67 175.079 175.079 175.142 -0.063 17824 7041 1 17 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.486 1.994 17824 7042 1 17 . 1 1 67 67 GLU CB C 67 29.931 29.931 31.586 -1.655 17824 7043 1 17 . 1 1 67 67 GLU H H 67 8.074 8.074 7.885 0.189 17824 7044 1 17 . 1 1 68 68 CYS N N 68 126.937 126.937 123.059 3.878 17824 7045 1 17 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.518 -0.230 17824 7046 1 17 . 1 1 68 68 CYS C C 68 174.423 174.423 174.305 0.118 17824 7047 1 17 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.301 -0.492 17824 7048 1 17 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.441 0.229 17824 7049 1 17 . 1 1 68 68 CYS H H 68 8.340 8.340 8.678 -0.338 17824 7050 1 17 . 1 1 69 69 THR N N 69 116.442 116.442 110.480 5.962 17824 7051 1 17 . 1 1 69 69 THR HA H 69 4.891 4.891 4.527 0.364 17824 7052 1 17 . 1 1 69 69 THR C C 69 175.561 175.561 172.838 2.723 17824 7053 1 17 . 1 1 69 69 THR CA C 69 60.817 60.817 61.185 -0.368 17824 7054 1 17 . 1 1 69 69 THR CB C 69 71.654 71.654 71.662 -0.008 17824 7055 1 17 . 1 1 69 69 THR H H 69 7.497 7.497 7.919 -0.422 17824 7056 1 17 . 1 1 70 70 VAL N N 70 123.637 123.637 123.241 0.396 17824 7057 1 17 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.704 -0.369 17824 7058 1 17 . 1 1 70 70 VAL C C 70 174.368 174.368 172.773 1.595 17824 7059 1 17 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.436 2.506 17824 7060 1 17 . 1 1 70 70 VAL CB C 70 33.897 33.897 35.767 -1.870 17824 7061 1 17 . 1 1 70 70 VAL H H 70 8.862 8.862 8.867 -0.005 17824 7062 1 17 . 1 1 71 71 ALA N N 71 128.540 128.540 127.912 0.628 17824 7063 1 17 . 1 1 71 71 ALA HA H 71 5.286 5.286 5.139 0.147 17824 7064 1 17 . 1 1 71 71 ALA C C 71 174.520 174.520 175.530 -1.010 17824 7065 1 17 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.657 0.115 17824 7066 1 17 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.952 1.023 17824 7067 1 17 . 1 1 71 71 ALA H H 71 9.247 9.247 8.936 0.311 17824 7068 1 17 . 1 1 72 72 TRP N N 72 120.167 120.167 121.959 -1.792 17824 7069 1 17 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.346 0.074 17824 7070 1 17 . 1 1 72 72 TRP C C 72 177.182 177.182 176.844 0.338 17824 7071 1 17 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.231 1.532 17824 7072 1 17 . 1 1 72 72 TRP CB C 72 32.630 32.630 32.115 0.515 17824 7073 1 17 . 1 1 72 72 TRP H H 72 9.065 9.065 8.908 0.157 17824 7074 1 17 . 1 1 73 73 GLY N N 73 110.755 110.755 108.376 2.379 17824 7075 1 17 . 1 1 73 73 GLY C C 73 177.914 177.914 175.026 2.888 17824 7076 1 17 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.313 0.854 17824 7077 1 17 . 1 1 73 73 GLY H H 73 9.128 9.128 9.580 -0.452 17824 7078 1 17 . 1 1 74 74 VAL N N 74 122.747 122.747 125.469 -2.722 17824 7079 1 17 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.650 0.186 17824 7080 1 17 . 1 1 74 74 VAL C C 74 176.014 176.014 176.442 -0.428 17824 7081 1 17 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.260 -0.267 17824 7082 1 17 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.876 -0.156 17824 7083 1 17 . 1 1 74 74 VAL H H 74 8.299 8.299 8.447 -0.148 17824 7084 1 17 . 1 1 75 75 CYS N N 75 116.720 116.720 119.779 -3.059 17824 7085 1 17 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.373 -0.078 17824 7086 1 17 . 1 1 75 75 CYS C C 75 174.359 174.359 175.303 -0.944 17824 7087 1 17 . 1 1 75 75 CYS CA C 75 58.217 58.217 58.976 -0.759 17824 7088 1 17 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.273 4.428 17824 7089 1 17 . 1 1 75 75 CYS H H 75 7.567 7.567 8.161 -0.594 17824 7090 1 17 . 1 1 76 76 ASN N N 76 114.522 114.522 118.030 -3.508 17824 7091 1 17 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.292 0.142 17824 7092 1 17 . 1 1 76 76 ASN C C 76 173.726 173.726 173.322 0.404 17824 7093 1 17 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.270 1.382 17824 7094 1 17 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.434 0.514 17824 7095 1 17 . 1 1 76 76 ASN H H 76 8.060 8.060 8.081 -0.021 17824 7096 1 17 . 1 1 77 77 HIS N N 77 117.754 117.754 116.609 1.145 17824 7097 1 17 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.748 -0.031 17824 7098 1 17 . 1 1 77 77 HIS C C 77 172.650 172.650 173.175 -0.525 17824 7099 1 17 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.452 3.374 17824 7100 1 17 . 1 1 77 77 HIS CB C 77 32.889 32.889 33.972 -1.083 17824 7101 1 17 . 1 1 77 77 HIS H H 77 7.797 7.797 7.669 0.128 17824 7102 1 17 . 1 1 78 78 ALA N N 78 122.889 122.889 123.189 -0.300 17824 7103 1 17 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.420 -0.471 17824 7104 1 17 . 1 1 78 78 ALA C C 78 174.873 174.873 175.034 -0.161 17824 7105 1 17 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.354 -1.825 17824 7106 1 17 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.694 -1.617 17824 7107 1 17 . 1 1 78 78 ALA H H 78 7.811 7.811 8.396 -0.585 17824 7108 1 17 . 1 1 79 79 PHE N N 79 113.618 113.618 119.983 -6.365 17824 7109 1 17 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.708 -0.009 17824 7110 1 17 . 1 1 79 79 PHE C C 79 176.138 176.138 174.801 1.337 17824 7111 1 17 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.571 -1.222 17824 7112 1 17 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.529 2.057 17824 7113 1 17 . 1 1 79 79 PHE H H 79 8.377 8.377 8.711 -0.334 17824 7114 1 17 . 1 1 80 80 HIS N N 80 118.823 118.823 120.266 -1.443 17824 7115 1 17 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.838 -0.009 17824 7116 1 17 . 1 1 80 80 HIS C C 80 177.268 177.268 176.413 0.855 17824 7117 1 17 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.076 4.873 17824 7118 1 17 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.747 -1.012 17824 7119 1 17 . 1 1 80 80 HIS H H 80 8.429 8.429 8.342 0.087 17824 7120 1 17 . 1 1 81 81 PHE N N 81 129.040 129.040 126.284 2.756 17824 7121 1 17 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.216 0.123 17824 7122 1 17 . 1 1 81 81 PHE C C 81 178.911 178.911 176.823 2.088 17824 7123 1 17 . 1 1 81 81 PHE CA C 81 61.838 61.838 61.950 -0.112 17824 7124 1 17 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.377 -0.321 17824 7125 1 17 . 1 1 81 81 PHE H H 81 9.881 9.881 8.765 1.116 17824 7126 1 17 . 1 1 82 82 HIS N N 82 120.611 120.611 119.291 1.320 17824 7127 1 17 . 1 1 82 82 HIS HA H 82 4.286 4.286 3.874 0.412 17824 7128 1 17 . 1 1 82 82 HIS C C 82 177.694 177.694 176.577 1.117 17824 7129 1 17 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.889 -0.985 17824 7130 1 17 . 1 1 82 82 HIS CB C 82 32.833 32.833 30.093 2.740 17824 7131 1 17 . 1 1 82 82 HIS H H 82 10.457 10.457 8.185 2.272 17824 7132 1 17 . 1 1 83 83 CYS N N 83 117.628 117.628 117.183 0.445 17824 7133 1 17 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.043 0.111 17824 7134 1 17 . 1 1 83 83 CYS C C 83 177.768 177.768 176.767 1.001 17824 7135 1 17 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.487 0.481 17824 7136 1 17 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.042 2.862 17824 7137 1 17 . 1 1 83 83 CYS H H 83 6.933 6.933 8.369 -1.436 17824 7138 1 17 . 1 1 84 84 ILE N N 84 119.139 119.139 120.729 -1.590 17824 7139 1 17 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.420 0.422 17824 7140 1 17 . 1 1 84 84 ILE C C 84 175.705 175.705 177.076 -1.371 17824 7141 1 17 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.592 -3.715 17824 7142 1 17 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.639 0.438 17824 7143 1 17 . 1 1 84 84 ILE H H 84 8.290 8.290 8.805 -0.515 17824 7144 1 17 . 1 1 85 85 SER N N 85 118.224 118.224 116.283 1.941 17824 7145 1 17 . 1 1 85 85 SER HA H 85 3.995 3.995 3.988 0.007 17824 7146 1 17 . 1 1 85 85 SER C C 85 176.097 176.097 176.625 -0.528 17824 7147 1 17 . 1 1 85 85 SER CA C 85 62.841 62.841 62.494 0.347 17824 7148 1 17 . 1 1 85 85 SER CB C 85 62.009 62.009 62.456 -0.447 17824 7149 1 17 . 1 1 85 85 SER H H 85 8.157 8.157 8.088 0.069 17824 7150 1 17 . 1 1 86 86 ARG N N 86 120.496 120.496 121.749 -1.253 17824 7151 1 17 . 1 1 86 86 ARG HA H 86 4.024 4.024 3.979 0.045 17824 7152 1 17 . 1 1 86 86 ARG C C 86 179.382 179.382 178.358 1.024 17824 7153 1 17 . 1 1 86 86 ARG CA C 86 59.865 59.865 59.197 0.668 17824 7154 1 17 . 1 1 86 86 ARG CB C 86 29.860 29.860 30.030 -0.170 17824 7155 1 17 . 1 1 86 86 ARG H H 86 7.174 7.174 7.514 -0.340 17824 7156 1 17 . 1 1 87 87 TRP N N 87 123.951 123.951 122.319 1.632 17824 7157 1 17 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.217 -0.058 17824 7158 1 17 . 1 1 87 87 TRP C C 87 177.572 177.572 178.036 -0.464 17824 7159 1 17 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.180 0.744 17824 7160 1 17 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.462 -0.216 17824 7161 1 17 . 1 1 87 87 TRP H H 87 7.981 7.981 8.402 -0.421 17824 7162 1 17 . 1 1 88 88 LEU N N 88 116.707 116.707 116.751 -0.044 17824 7163 1 17 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.246 0.517 17824 7164 1 17 . 1 1 88 88 LEU C C 88 178.008 178.008 178.804 -0.796 17824 7165 1 17 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.668 -0.940 17824 7166 1 17 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.727 0.469 17824 7167 1 17 . 1 1 88 88 LEU H H 88 8.246 8.246 8.182 0.064 17824 7168 1 17 . 1 1 89 89 LYS N N 89 117.240 117.240 117.501 -0.261 17824 7169 1 17 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.042 0.039 17824 7170 1 17 . 1 1 89 89 LYS C C 89 178.385 178.385 177.771 0.614 17824 7171 1 17 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.761 0.150 17824 7172 1 17 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.511 -0.207 17824 7173 1 17 . 1 1 89 89 LYS H H 89 7.309 7.309 7.724 -0.415 17824 7174 1 17 . 1 1 90 90 THR N N 90 106.446 106.446 107.934 -1.488 17824 7175 1 17 . 1 1 90 90 THR HA H 90 4.383 4.383 4.204 0.179 17824 7176 1 17 . 1 1 90 90 THR C C 90 173.919 173.919 174.575 -0.656 17824 7177 1 17 . 1 1 90 90 THR CA C 90 62.069 62.069 62.463 -0.394 17824 7178 1 17 . 1 1 90 90 THR CB C 90 70.133 70.133 69.892 0.241 17824 7179 1 17 . 1 1 90 90 THR H H 90 7.452 7.452 7.406 0.046 17824 7180 1 17 . 1 1 91 91 ARG N N 91 121.616 121.616 119.795 1.821 17824 7181 1 17 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.399 0.006 17824 7182 1 17 . 1 1 91 91 ARG C C 91 174.754 174.754 174.925 -0.171 17824 7183 1 17 . 1 1 91 91 ARG CA C 91 54.833 54.833 54.135 0.698 17824 7184 1 17 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.025 1.860 17824 7185 1 17 . 1 1 91 91 ARG H H 91 7.426 7.426 7.636 -0.210 17824 7186 1 17 . 1 1 92 92 GLN N N 92 118.161 118.161 118.575 -0.414 17824 7187 1 17 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.397 0.311 17824 7188 1 17 . 1 1 92 92 GLN C C 92 176.437 176.437 174.865 1.572 17824 7189 1 17 . 1 1 92 92 GLN CA C 92 55.783 55.783 56.293 -0.510 17824 7190 1 17 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.224 -0.266 17824 7191 1 17 . 1 1 92 92 GLN H H 92 8.526 8.526 8.657 -0.131 17824 7192 1 17 . 1 1 93 93 VAL N N 93 109.557 109.557 112.035 -2.478 17824 7193 1 17 . 1 1 93 93 VAL HA H 93 5.065 5.065 5.060 0.005 17824 7194 1 17 . 1 1 93 93 VAL C C 93 174.806 174.806 175.226 -0.420 17824 7195 1 17 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.133 -0.785 17824 7196 1 17 . 1 1 93 93 VAL CB C 93 35.308 35.308 35.003 0.305 17824 7197 1 17 . 1 1 93 93 VAL H H 93 7.083 7.083 7.149 -0.066 17824 7198 1 17 . 1 1 94 94 CYS N N 94 123.889 123.889 122.146 1.743 17824 7199 1 17 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.552 -0.048 17824 7200 1 17 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.227 -4.367 17824 7201 1 17 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.477 4.288 17824 7202 1 17 . 1 1 94 94 CYS H H 94 9.020 9.020 9.278 -0.258 17824 7203 1 17 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.234 -0.154 17824 7204 1 17 . 1 1 95 95 PRO C C 95 177.037 177.037 176.859 0.178 17824 7205 1 17 . 1 1 95 95 PRO CA C 95 63.998 63.998 65.382 -1.384 17824 7206 1 17 . 1 1 95 95 PRO CB C 95 31.662 31.662 31.050 0.612 17824 7207 1 17 . 1 1 96 96 LEU N N 96 118.497 118.497 117.907 0.590 17824 7208 1 17 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.166 0.150 17824 7209 1 17 . 1 1 96 96 LEU C C 96 177.797 177.797 177.864 -0.067 17824 7210 1 17 . 1 1 96 96 LEU CA C 96 55.812 55.812 57.239 -1.427 17824 7211 1 17 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.478 1.596 17824 7212 1 17 . 1 1 96 96 LEU H H 96 8.798 8.798 7.875 0.923 17824 7213 1 17 . 1 1 97 97 ASP N N 97 114.958 114.958 116.146 -1.188 17824 7214 1 17 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.724 0.228 17824 7215 1 17 . 1 1 97 97 ASP C C 97 175.946 175.946 176.668 -0.722 17824 7216 1 17 . 1 1 97 97 ASP CA C 97 54.712 54.712 54.339 0.373 17824 7217 1 17 . 1 1 97 97 ASP CB C 97 43.183 43.183 41.387 1.796 17824 7218 1 17 . 1 1 97 97 ASP H H 97 7.396 7.396 8.429 -1.033 17824 7219 1 17 . 1 1 98 98 ASN N N 98 115.407 115.407 115.523 -0.116 17824 7220 1 17 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.509 -0.085 17824 7221 1 17 . 1 1 98 98 ASN C C 98 173.934 173.934 174.144 -0.210 17824 7222 1 17 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.511 0.791 17824 7223 1 17 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.622 1.374 17824 7224 1 17 . 1 1 98 98 ASN H H 98 8.332 8.332 8.354 -0.022 17824 7225 1 17 . 1 1 99 99 ARG N N 99 119.005 119.005 119.130 -0.125 17824 7226 1 17 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.680 -0.208 17824 7227 1 17 . 1 1 99 99 ARG C C 99 176.631 176.631 174.877 1.754 17824 7228 1 17 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.238 1.583 17824 7229 1 17 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.626 -1.656 17824 7230 1 17 . 1 1 99 99 ARG H H 99 8.825 8.825 7.862 0.963 17824 7231 1 17 . 1 1 100 100 GLU N N 100 122.676 122.676 123.859 -1.183 17824 7232 1 17 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.349 -0.199 17824 7233 1 17 . 1 1 100 100 GLU C C 100 176.647 176.647 175.647 1.000 17824 7234 1 17 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.538 0.810 17824 7235 1 17 . 1 1 100 100 GLU CB C 100 29.734 29.734 29.876 -0.142 17824 7236 1 17 . 1 1 100 100 GLU H H 100 8.869 8.869 8.685 0.184 17824 7237 1 17 . 1 1 101 101 TRP N N 101 126.288 126.288 130.301 -4.013 17824 7238 1 17 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.697 -0.094 17824 7239 1 17 . 1 1 101 101 TRP C C 101 175.786 175.786 175.345 0.441 17824 7240 1 17 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.658 0.277 17824 7241 1 17 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.346 -0.588 17824 7242 1 17 . 1 1 101 101 TRP H H 101 8.437 8.437 7.828 0.609 17824 7243 1 17 . 1 1 102 102 GLU N N 102 127.912 127.912 123.602 4.310 17824 7244 1 17 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.323 -0.051 17824 7245 1 17 . 1 1 102 102 GLU C C 102 174.791 174.791 174.098 0.693 17824 7246 1 17 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.149 0.575 17824 7247 1 17 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.509 -0.254 17824 7248 1 17 . 1 1 102 102 GLU H H 102 7.319 7.319 7.482 -0.163 17824 7249 1 17 . 1 1 103 103 PHE N N 103 122.445 122.445 122.935 -0.490 17824 7250 1 17 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.781 -0.413 17824 7251 1 17 . 1 1 103 103 PHE C C 103 176.419 176.419 176.395 0.024 17824 7252 1 17 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.700 1.370 17824 7253 1 17 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.041 0.833 17824 7254 1 17 . 1 1 103 103 PHE H H 103 8.827 8.827 8.820 0.007 17824 7255 1 17 . 1 1 104 104 GLN N N 104 122.896 122.896 127.501 -4.605 17824 7256 1 17 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.215 0.071 17824 7257 1 17 . 1 1 104 104 GLN C C 104 175.487 175.487 175.845 -0.358 17824 7258 1 17 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.963 -1.693 17824 7259 1 17 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.042 0.504 17824 7260 1 17 . 1 1 104 104 GLN H H 104 9.119 9.119 9.139 -0.020 17824 7261 1 17 . 1 1 105 105 LYS N N 105 121.917 121.917 112.014 9.903 17824 7262 1 17 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.562 -0.126 17824 7263 1 17 . 1 1 105 105 LYS C C 105 175.219 175.219 174.209 1.010 17824 7264 1 17 . 1 1 105 105 LYS CA C 105 56.282 56.282 55.956 0.326 17824 7265 1 17 . 1 1 105 105 LYS CB C 105 33.804 33.804 33.520 0.284 17824 7266 1 17 . 1 1 105 105 LYS H H 105 8.308 8.308 7.699 0.609 17824 7267 1 17 . 1 1 106 106 TYR N N 106 121.451 121.451 117.690 3.761 17824 7268 1 17 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.966 -0.152 17824 7269 1 17 . 1 1 106 106 TYR C C 106 176.017 176.017 174.959 1.058 17824 7270 1 17 . 1 1 106 106 TYR CA C 106 57.828 57.828 56.565 1.263 17824 7271 1 17 . 1 1 106 106 TYR CB C 106 39.606 39.606 41.398 -1.792 17824 7272 1 17 . 1 1 106 106 TYR H H 106 8.431 8.431 7.955 0.476 17824 7273 1 17 . 1 1 107 107 GLY N N 107 110.965 110.965 109.475 1.490 17824 7274 1 17 . 1 1 107 107 GLY C C 107 172.723 172.723 173.737 -1.014 17824 7275 1 17 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.539 0.743 17824 7276 1 17 . 1 1 107 107 GLY H H 107 8.395 8.395 8.280 0.115 17824 7277 1 18 . 1 1 35 35 TRP N N 35 118.681 118.681 124.247 -5.566 17824 7278 1 18 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.809 -0.166 17824 7279 1 18 . 1 1 35 35 TRP C C 35 175.833 175.833 173.749 2.084 17824 7280 1 18 . 1 1 35 35 TRP CA C 35 56.900 56.900 56.922 -0.022 17824 7281 1 18 . 1 1 35 35 TRP CB C 35 29.375 29.375 30.631 -1.256 17824 7282 1 18 . 1 1 35 35 TRP H H 35 7.831 7.831 8.517 -0.686 17824 7283 1 18 . 1 1 36 36 ASP N N 36 121.178 121.178 124.220 -3.042 17824 7284 1 18 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.912 -0.338 17824 7285 1 18 . 1 1 36 36 ASP C C 36 175.821 175.821 175.045 0.776 17824 7286 1 18 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.014 1.608 17824 7287 1 18 . 1 1 36 36 ASP CB C 36 41.150 41.150 43.891 -2.741 17824 7288 1 18 . 1 1 36 36 ASP H H 36 8.111 8.111 7.677 0.434 17824 7289 1 18 . 1 1 37 37 ILE N N 37 120.177 120.177 113.770 6.407 17824 7290 1 18 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.349 -0.193 17824 7291 1 18 . 1 1 37 37 ILE C C 37 175.817 175.817 175.773 0.044 17824 7292 1 18 . 1 1 37 37 ILE CA C 37 61.638 61.638 61.111 0.527 17824 7293 1 18 . 1 1 37 37 ILE CB C 37 39.034 39.034 37.758 1.276 17824 7294 1 18 . 1 1 37 37 ILE H H 37 7.820 7.820 7.968 -0.148 17824 7295 1 18 . 1 1 38 38 VAL N N 38 124.844 124.844 122.918 1.926 17824 7296 1 18 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.061 0.099 17824 7297 1 18 . 1 1 38 38 VAL C C 38 176.102 176.102 176.857 -0.755 17824 7298 1 18 . 1 1 38 38 VAL CA C 38 62.055 62.055 62.419 -0.364 17824 7299 1 18 . 1 1 38 38 VAL CB C 38 32.764 32.764 32.418 0.346 17824 7300 1 18 . 1 1 38 38 VAL H H 38 8.203 8.203 7.637 0.566 17824 7301 1 18 . 1 1 39 39 VAL N N 39 123.813 123.813 119.567 4.246 17824 7302 1 18 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.969 0.169 17824 7303 1 18 . 1 1 39 39 VAL C C 39 174.919 174.919 175.719 -0.800 17824 7304 1 18 . 1 1 39 39 VAL CA C 39 62.605 62.605 62.421 0.184 17824 7305 1 18 . 1 1 39 39 VAL CB C 39 32.825 32.825 32.156 0.669 17824 7306 1 18 . 1 1 39 39 VAL H H 39 8.163 8.163 8.517 -0.354 17824 7307 1 18 . 1 1 40 40 ASP N N 40 122.074 122.074 115.607 6.467 17824 7308 1 18 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.444 0.024 17824 7309 1 18 . 1 1 40 40 ASP C C 40 174.408 174.408 174.897 -0.489 17824 7310 1 18 . 1 1 40 40 ASP CA C 40 54.389 54.389 52.879 1.510 17824 7311 1 18 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.509 0.646 17824 7312 1 18 . 1 1 40 40 ASP H H 40 8.154 8.154 8.077 0.077 17824 7313 1 18 . 1 1 41 41 ASN N N 41 115.983 115.983 117.580 -1.597 17824 7314 1 18 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.833 -0.071 17824 7315 1 18 . 1 1 41 41 ASN C C 41 174.643 174.643 173.633 1.010 17824 7316 1 18 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.681 -0.355 17824 7317 1 18 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.235 -0.851 17824 7318 1 18 . 1 1 41 41 ASN H H 41 7.901 7.901 7.197 0.704 17824 7319 1 18 . 1 1 42 42 CYS N N 42 123.612 123.612 125.712 -2.100 17824 7320 1 18 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.591 -0.305 17824 7321 1 18 . 1 1 42 42 CYS C C 42 176.756 176.756 175.206 1.550 17824 7322 1 18 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.459 0.341 17824 7323 1 18 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.479 4.294 17824 7324 1 18 . 1 1 42 42 CYS H H 42 8.503 8.503 8.816 -0.313 17824 7325 1 18 . 1 1 43 43 ALA N N 43 132.181 132.181 132.177 0.004 17824 7326 1 18 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.297 -0.132 17824 7327 1 18 . 1 1 43 43 ALA C C 43 177.706 177.706 177.857 -0.151 17824 7328 1 18 . 1 1 43 43 ALA CA C 43 53.643 53.643 53.838 -0.195 17824 7329 1 18 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.453 0.958 17824 7330 1 18 . 1 1 43 43 ALA H H 43 9.493 9.493 8.954 0.539 17824 7331 1 18 . 1 1 44 44 ILE N N 44 116.079 116.079 116.701 -0.622 17824 7332 1 18 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.611 0.185 17824 7333 1 18 . 1 1 44 44 ILE C C 44 176.208 176.208 176.856 -0.648 17824 7334 1 18 . 1 1 44 44 ILE CA C 44 64.532 64.532 64.181 0.351 17824 7335 1 18 . 1 1 44 44 ILE CB C 44 39.092 39.092 38.127 0.965 17824 7336 1 18 . 1 1 44 44 ILE H H 44 7.956 7.956 7.809 0.147 17824 7337 1 18 . 1 1 45 45 CYS N N 45 116.456 116.456 113.090 3.366 17824 7338 1 18 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.565 0.459 17824 7339 1 18 . 1 1 45 45 CYS C C 45 175.747 175.747 174.991 0.756 17824 7340 1 18 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.454 1.727 17824 7341 1 18 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.526 3.352 17824 7342 1 18 . 1 1 45 45 CYS H H 45 7.818 7.818 7.625 0.193 17824 7343 1 18 . 1 1 46 46 ARG N N 46 117.125 117.125 121.590 -4.465 17824 7344 1 18 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.079 -0.074 17824 7345 1 18 . 1 1 46 46 ARG C C 46 175.539 175.539 174.266 1.273 17824 7346 1 18 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.957 2.827 17824 7347 1 18 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.793 -1.199 17824 7348 1 18 . 1 1 46 46 ARG H H 46 8.511 8.511 8.293 0.218 17824 7349 1 18 . 1 1 47 47 ASN N N 47 121.377 121.377 115.369 6.008 17824 7350 1 18 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.992 0.020 17824 7351 1 18 . 1 1 47 47 ASN C C 47 175.537 175.537 173.367 2.170 17824 7352 1 18 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.739 -2.717 17824 7353 1 18 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.921 -2.906 17824 7354 1 18 . 1 1 47 47 ASN H H 47 8.720 8.720 7.900 0.820 17824 7355 1 18 . 1 1 48 48 HIS N N 48 122.235 122.235 119.321 2.914 17824 7356 1 18 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.505 -0.006 17824 7357 1 18 . 1 1 48 48 HIS C C 48 177.722 177.722 176.308 1.414 17824 7358 1 18 . 1 1 48 48 HIS CA C 48 58.872 58.872 58.460 0.412 17824 7359 1 18 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.148 -0.428 17824 7360 1 18 . 1 1 48 48 HIS H H 48 9.226 9.226 8.653 0.573 17824 7361 1 18 . 1 1 49 49 ILE N N 49 126.643 126.643 123.838 2.805 17824 7362 1 18 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.575 -0.175 17824 7363 1 18 . 1 1 49 49 ILE CA C 49 61.488 61.488 63.521 -2.033 17824 7364 1 18 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.733 0.239 17824 7365 1 18 . 1 1 49 49 ILE H H 49 7.991 7.991 7.787 0.204 17824 7366 1 18 . 1 1 50 50 MET HA H 50 4.268 4.268 4.706 -0.438 17824 7367 1 18 . 1 1 50 50 MET C C 50 177.236 177.236 174.363 2.873 17824 7368 1 18 . 1 1 50 50 MET CA C 50 54.795 54.795 55.005 -0.210 17824 7369 1 18 . 1 1 50 50 MET CB C 50 31.357 31.357 32.811 -1.454 17824 7370 1 18 . 1 1 51 51 ASP N N 51 121.143 121.143 123.385 -2.242 17824 7371 1 18 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.384 -0.371 17824 7372 1 18 . 1 1 51 51 ASP C C 51 176.770 176.770 174.661 2.109 17824 7373 1 18 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.526 -2.422 17824 7374 1 18 . 1 1 51 51 ASP CB C 51 43.285 43.285 44.439 -1.154 17824 7375 1 18 . 1 1 51 51 ASP H H 51 7.854 7.854 8.237 -0.383 17824 7376 1 18 . 1 1 52 52 LEU N N 52 119.501 119.501 121.090 -1.589 17824 7377 1 18 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.255 0.091 17824 7378 1 18 . 1 1 52 52 LEU C C 52 177.049 177.049 176.120 0.929 17824 7379 1 18 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.639 -0.208 17824 7380 1 18 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.852 0.502 17824 7381 1 18 . 1 1 52 52 LEU H H 52 8.484 8.484 8.591 -0.107 17824 7382 1 18 . 1 1 53 53 CYS N N 53 120.790 120.790 117.149 3.641 17824 7383 1 18 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.624 -0.778 17824 7384 1 18 . 1 1 53 53 CYS C C 53 175.247 175.247 176.493 -1.246 17824 7385 1 18 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.136 -0.305 17824 7386 1 18 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.487 3.157 17824 7387 1 18 . 1 1 53 53 CYS H H 53 8.151 8.151 8.217 -0.066 17824 7388 1 18 . 1 1 54 54 ILE N N 54 116.790 116.790 120.828 -4.038 17824 7389 1 18 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.785 0.150 17824 7390 1 18 . 1 1 54 54 ILE C C 54 176.615 176.615 177.546 -0.931 17824 7391 1 18 . 1 1 54 54 ILE CA C 54 63.906 63.906 64.540 -0.634 17824 7392 1 18 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.254 1.780 17824 7393 1 18 . 1 1 54 54 ILE H H 54 6.626 6.626 8.321 -1.695 17824 7394 1 18 . 1 1 55 55 GLU N N 55 123.451 123.451 119.808 3.643 17824 7395 1 18 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.267 -0.113 17824 7396 1 18 . 1 1 55 55 GLU C C 55 179.075 179.075 178.567 0.508 17824 7397 1 18 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.545 1.236 17824 7398 1 18 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.367 1.097 17824 7399 1 18 . 1 1 55 55 GLU H H 55 7.642 7.642 8.542 -0.900 17824 7400 1 18 . 1 1 56 56 CYS N N 56 124.445 124.445 117.295 7.150 17824 7401 1 18 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.087 -0.099 17824 7402 1 18 . 1 1 56 56 CYS C C 56 178.290 178.290 176.950 1.340 17824 7403 1 18 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.811 2.167 17824 7404 1 18 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.029 3.623 17824 7405 1 18 . 1 1 56 56 CYS H H 56 8.676 8.676 8.339 0.337 17824 7406 1 18 . 1 1 57 57 GLN N N 57 117.736 117.736 120.227 -2.491 17824 7407 1 18 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.012 -0.120 17824 7408 1 18 . 1 1 57 57 GLN C C 57 177.428 177.428 177.538 -0.110 17824 7409 1 18 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.390 0.482 17824 7410 1 18 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.282 1.546 17824 7411 1 18 . 1 1 57 57 GLN H H 57 8.419 8.419 8.193 0.227 17824 7412 1 18 . 1 1 58 58 ALA N N 58 119.578 119.578 120.927 -1.349 17824 7413 1 18 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.265 0.012 17824 7414 1 18 . 1 1 58 58 ALA C C 58 178.087 178.087 178.999 -0.912 17824 7415 1 18 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.046 0.476 17824 7416 1 18 . 1 1 58 58 ALA CB C 58 19.017 19.017 19.196 -0.179 17824 7417 1 18 . 1 1 58 58 ALA H H 58 7.335 7.335 7.661 -0.326 17824 7418 1 18 . 1 1 59 59 ASN N N 59 116.209 116.209 116.578 -0.369 17824 7419 1 18 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.589 0.229 17824 7420 1 18 . 1 1 59 59 ASN C C 59 175.372 175.372 176.578 -1.206 17824 7421 1 18 . 1 1 59 59 ASN CA C 59 52.658 52.658 55.366 -2.708 17824 7422 1 18 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.389 -0.280 17824 7423 1 18 . 1 1 59 59 ASN H H 59 7.617 7.617 8.215 -0.598 17824 7424 1 18 . 1 1 60 60 GLN N N 60 120.078 120.078 114.305 5.773 17824 7425 1 18 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.867 0.345 17824 7426 1 18 . 1 1 60 60 GLN C C 60 176.218 176.218 176.194 0.024 17824 7427 1 18 . 1 1 60 60 GLN CA C 60 57.310 57.310 58.066 -0.756 17824 7428 1 18 . 1 1 60 60 GLN CB C 60 28.650 28.650 27.812 0.838 17824 7429 1 18 . 1 1 60 60 GLN H H 60 8.116 8.116 8.441 -0.325 17824 7430 1 18 . 1 1 61 61 ALA N N 61 122.298 122.298 121.318 0.980 17824 7431 1 18 . 1 1 61 61 ALA HA H 61 4.318 4.318 3.833 0.485 17824 7432 1 18 . 1 1 61 61 ALA C C 61 177.964 177.964 177.643 0.321 17824 7433 1 18 . 1 1 61 61 ALA CA C 61 53.440 53.440 53.860 -0.420 17824 7434 1 18 . 1 1 61 61 ALA CB C 61 18.652 18.652 18.198 0.454 17824 7435 1 18 . 1 1 61 61 ALA H H 61 8.345 8.345 7.475 0.870 17824 7436 1 18 . 1 1 62 62 SER N N 62 113.232 113.232 112.779 0.453 17824 7437 1 18 . 1 1 62 62 SER HA H 62 4.454 4.454 4.137 0.317 17824 7438 1 18 . 1 1 62 62 SER C C 62 174.747 174.747 175.534 -0.787 17824 7439 1 18 . 1 1 62 62 SER CA C 62 58.197 58.197 59.591 -1.394 17824 7440 1 18 . 1 1 62 62 SER CB C 62 63.906 63.906 63.188 0.717 17824 7441 1 18 . 1 1 62 62 SER H H 62 8.011 8.011 7.843 0.168 17824 7442 1 18 . 1 1 63 63 ALA N N 63 125.573 125.573 122.825 2.748 17824 7443 1 18 . 1 1 63 63 ALA HA H 63 4.183 4.183 3.890 0.292 17824 7444 1 18 . 1 1 63 63 ALA C C 63 178.091 178.091 177.014 1.077 17824 7445 1 18 . 1 1 63 63 ALA CA C 63 53.006 53.006 53.992 -0.986 17824 7446 1 18 . 1 1 63 63 ALA CB C 63 18.756 18.756 17.266 1.490 17824 7447 1 18 . 1 1 63 63 ALA H H 63 8.323 8.323 7.912 0.411 17824 7448 1 18 . 1 1 64 64 THR N N 64 111.006 111.006 116.243 -5.237 17824 7449 1 18 . 1 1 64 64 THR HA H 64 4.495 4.495 4.522 -0.028 17824 7450 1 18 . 1 1 64 64 THR C C 64 175.346 175.346 174.663 0.683 17824 7451 1 18 . 1 1 64 64 THR CA C 64 61.903 61.903 62.215 -0.312 17824 7452 1 18 . 1 1 64 64 THR CB C 64 69.903 69.903 69.785 0.118 17824 7453 1 18 . 1 1 64 64 THR H H 64 8.071 8.071 7.760 0.311 17824 7454 1 18 . 1 1 65 65 SER N N 65 118.037 118.037 121.542 -3.505 17824 7455 1 18 . 1 1 65 65 SER HA H 65 4.524 4.524 4.561 -0.037 17824 7456 1 18 . 1 1 65 65 SER C C 65 175.131 175.131 175.075 0.056 17824 7457 1 18 . 1 1 65 65 SER CA C 65 59.795 59.795 59.235 0.560 17824 7458 1 18 . 1 1 65 65 SER CB C 65 63.833 63.833 63.858 -0.025 17824 7459 1 18 . 1 1 65 65 SER H H 65 8.328 8.328 8.805 -0.477 17824 7460 1 18 . 1 1 66 66 GLU N N 66 121.505 121.505 120.501 1.004 17824 7461 1 18 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.228 0.086 17824 7462 1 18 . 1 1 66 66 GLU C C 66 176.394 176.394 175.860 0.534 17824 7463 1 18 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.374 -1.379 17824 7464 1 18 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.290 0.020 17824 7465 1 18 . 1 1 66 66 GLU H H 66 8.368 8.368 8.376 -0.008 17824 7466 1 18 . 1 1 67 67 GLU N N 67 119.409 119.409 113.554 5.855 17824 7467 1 18 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.611 -0.320 17824 7468 1 18 . 1 1 67 67 GLU C C 67 175.079 175.079 174.514 0.565 17824 7469 1 18 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.708 1.772 17824 7470 1 18 . 1 1 67 67 GLU CB C 67 29.931 29.931 31.170 -1.239 17824 7471 1 18 . 1 1 67 67 GLU H H 67 8.074 8.074 7.862 0.212 17824 7472 1 18 . 1 1 68 68 CYS N N 68 126.937 126.937 123.426 3.511 17824 7473 1 18 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.480 -0.192 17824 7474 1 18 . 1 1 68 68 CYS C C 68 174.423 174.423 174.212 0.211 17824 7475 1 18 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.121 -0.312 17824 7476 1 18 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.256 0.414 17824 7477 1 18 . 1 1 68 68 CYS H H 68 8.340 8.340 8.351 -0.011 17824 7478 1 18 . 1 1 69 69 THR N N 69 116.442 116.442 111.326 5.116 17824 7479 1 18 . 1 1 69 69 THR HA H 69 4.891 4.891 4.490 0.401 17824 7480 1 18 . 1 1 69 69 THR C C 69 175.561 175.561 173.147 2.414 17824 7481 1 18 . 1 1 69 69 THR CA C 69 60.817 60.817 60.732 0.085 17824 7482 1 18 . 1 1 69 69 THR CB C 69 71.654 71.654 71.942 -0.288 17824 7483 1 18 . 1 1 69 69 THR H H 69 7.497 7.497 7.725 -0.228 17824 7484 1 18 . 1 1 70 70 VAL N N 70 123.637 123.637 121.559 2.078 17824 7485 1 18 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.644 -0.309 17824 7486 1 18 . 1 1 70 70 VAL C C 70 174.368 174.368 173.155 1.213 17824 7487 1 18 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.242 2.700 17824 7488 1 18 . 1 1 70 70 VAL CB C 70 33.897 33.897 35.785 -1.888 17824 7489 1 18 . 1 1 70 70 VAL H H 70 8.862 8.862 8.801 0.061 17824 7490 1 18 . 1 1 71 71 ALA N N 71 128.540 128.540 128.910 -0.370 17824 7491 1 18 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.859 0.427 17824 7492 1 18 . 1 1 71 71 ALA C C 71 174.520 174.520 175.270 -0.750 17824 7493 1 18 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.934 -0.162 17824 7494 1 18 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.949 1.026 17824 7495 1 18 . 1 1 71 71 ALA H H 71 9.247 9.247 9.027 0.220 17824 7496 1 18 . 1 1 72 72 TRP N N 72 120.167 120.167 122.381 -2.214 17824 7497 1 18 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.287 0.133 17824 7498 1 18 . 1 1 72 72 TRP C C 72 177.182 177.182 176.898 0.284 17824 7499 1 18 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.291 1.472 17824 7500 1 18 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.930 0.700 17824 7501 1 18 . 1 1 72 72 TRP H H 72 9.065 9.065 8.713 0.352 17824 7502 1 18 . 1 1 73 73 GLY N N 73 110.755 110.755 108.445 2.310 17824 7503 1 18 . 1 1 73 73 GLY C C 73 177.914 177.914 174.506 3.408 17824 7504 1 18 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.376 0.791 17824 7505 1 18 . 1 1 73 73 GLY H H 73 9.128 9.128 9.579 -0.451 17824 7506 1 18 . 1 1 74 74 VAL N N 74 122.747 122.747 125.692 -2.945 17824 7507 1 18 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.721 0.115 17824 7508 1 18 . 1 1 74 74 VAL C C 74 176.014 176.014 176.532 -0.518 17824 7509 1 18 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.381 -0.388 17824 7510 1 18 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.947 -0.227 17824 7511 1 18 . 1 1 74 74 VAL H H 74 8.299 8.299 8.134 0.165 17824 7512 1 18 . 1 1 75 75 CYS N N 75 116.720 116.720 120.107 -3.387 17824 7513 1 18 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.364 -0.069 17824 7514 1 18 . 1 1 75 75 CYS C C 75 174.359 174.359 175.238 -0.879 17824 7515 1 18 . 1 1 75 75 CYS CA C 75 58.217 58.217 58.977 -0.760 17824 7516 1 18 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.593 4.108 17824 7517 1 18 . 1 1 75 75 CYS H H 75 7.567 7.567 8.056 -0.489 17824 7518 1 18 . 1 1 76 76 ASN N N 76 114.522 114.522 117.848 -3.326 17824 7519 1 18 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.294 0.140 17824 7520 1 18 . 1 1 76 76 ASN C C 76 173.726 173.726 173.307 0.419 17824 7521 1 18 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.269 1.383 17824 7522 1 18 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.412 0.536 17824 7523 1 18 . 1 1 76 76 ASN H H 76 8.060 8.060 8.050 0.010 17824 7524 1 18 . 1 1 77 77 HIS N N 77 117.754 117.754 116.588 1.166 17824 7525 1 18 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.742 -0.025 17824 7526 1 18 . 1 1 77 77 HIS C C 77 172.650 172.650 173.116 -0.466 17824 7527 1 18 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.435 3.391 17824 7528 1 18 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.214 -1.325 17824 7529 1 18 . 1 1 77 77 HIS H H 77 7.797 7.797 7.560 0.237 17824 7530 1 18 . 1 1 78 78 ALA N N 78 122.889 122.889 123.288 -0.399 17824 7531 1 18 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.428 -0.479 17824 7532 1 18 . 1 1 78 78 ALA C C 78 174.873 174.873 174.899 -0.026 17824 7533 1 18 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.283 -1.754 17824 7534 1 18 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.958 -1.881 17824 7535 1 18 . 1 1 78 78 ALA H H 78 7.811 7.811 8.340 -0.529 17824 7536 1 18 . 1 1 79 79 PHE N N 79 113.618 113.618 119.488 -5.870 17824 7537 1 18 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.727 -0.028 17824 7538 1 18 . 1 1 79 79 PHE C C 79 176.138 176.138 174.734 1.404 17824 7539 1 18 . 1 1 79 79 PHE CA C 79 55.349 55.349 57.003 -1.654 17824 7540 1 18 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.406 2.180 17824 7541 1 18 . 1 1 79 79 PHE H H 79 8.377 8.377 9.013 -0.636 17824 7542 1 18 . 1 1 80 80 HIS N N 80 118.823 118.823 120.273 -1.450 17824 7543 1 18 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.928 -0.099 17824 7544 1 18 . 1 1 80 80 HIS C C 80 177.268 177.268 176.673 0.595 17824 7545 1 18 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.023 4.926 17824 7546 1 18 . 1 1 80 80 HIS CB C 80 29.735 29.735 31.142 -1.407 17824 7547 1 18 . 1 1 80 80 HIS H H 80 8.429 8.429 8.363 0.066 17824 7548 1 18 . 1 1 81 81 PHE N N 81 129.040 129.040 126.048 2.992 17824 7549 1 18 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.278 0.061 17824 7550 1 18 . 1 1 81 81 PHE C C 81 178.911 178.911 176.798 2.113 17824 7551 1 18 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.112 -0.274 17824 7552 1 18 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.306 -0.251 17824 7553 1 18 . 1 1 81 81 PHE H H 81 9.881 9.881 9.237 0.644 17824 7554 1 18 . 1 1 82 82 HIS N N 82 120.611 120.611 119.637 0.974 17824 7555 1 18 . 1 1 82 82 HIS HA H 82 4.286 4.286 3.927 0.359 17824 7556 1 18 . 1 1 82 82 HIS C C 82 177.694 177.694 176.868 0.826 17824 7557 1 18 . 1 1 82 82 HIS CA C 82 58.904 58.904 60.118 -1.214 17824 7558 1 18 . 1 1 82 82 HIS CB C 82 32.833 32.833 30.034 2.799 17824 7559 1 18 . 1 1 82 82 HIS H H 82 10.457 10.457 8.219 2.238 17824 7560 1 18 . 1 1 83 83 CYS N N 83 117.628 117.628 116.977 0.651 17824 7561 1 18 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.148 0.006 17824 7562 1 18 . 1 1 83 83 CYS C C 83 177.768 177.768 176.718 1.050 17824 7563 1 18 . 1 1 83 83 CYS CA C 83 62.968 62.968 63.215 -0.247 17824 7564 1 18 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.143 2.761 17824 7565 1 18 . 1 1 83 83 CYS H H 83 6.933 6.933 8.342 -1.409 17824 7566 1 18 . 1 1 84 84 ILE N N 84 119.139 119.139 120.511 -1.372 17824 7567 1 18 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.408 0.434 17824 7568 1 18 . 1 1 84 84 ILE C C 84 175.705 175.705 177.123 -1.418 17824 7569 1 18 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.541 -3.664 17824 7570 1 18 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.685 0.392 17824 7571 1 18 . 1 1 84 84 ILE H H 84 8.290 8.290 8.771 -0.481 17824 7572 1 18 . 1 1 85 85 SER N N 85 118.224 118.224 116.375 1.849 17824 7573 1 18 . 1 1 85 85 SER HA H 85 3.995 3.995 4.083 -0.088 17824 7574 1 18 . 1 1 85 85 SER C C 85 176.097 176.097 176.659 -0.562 17824 7575 1 18 . 1 1 85 85 SER CA C 85 62.841 62.841 62.358 0.483 17824 7576 1 18 . 1 1 85 85 SER CB C 85 62.009 62.009 62.484 -0.475 17824 7577 1 18 . 1 1 85 85 SER H H 85 8.157 8.157 8.228 -0.071 17824 7578 1 18 . 1 1 86 86 ARG N N 86 120.496 120.496 121.192 -0.696 17824 7579 1 18 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.080 -0.056 17824 7580 1 18 . 1 1 86 86 ARG C C 86 179.382 179.382 178.266 1.116 17824 7581 1 18 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.263 1.602 17824 7582 1 18 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.704 0.156 17824 7583 1 18 . 1 1 86 86 ARG H H 86 7.174 7.174 7.502 -0.328 17824 7584 1 18 . 1 1 87 87 TRP N N 87 123.951 123.951 122.215 1.736 17824 7585 1 18 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.231 -0.072 17824 7586 1 18 . 1 1 87 87 TRP C C 87 177.572 177.572 177.948 -0.376 17824 7587 1 18 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.403 0.521 17824 7588 1 18 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.314 -0.068 17824 7589 1 18 . 1 1 87 87 TRP H H 87 7.981 7.981 8.412 -0.431 17824 7590 1 18 . 1 1 88 88 LEU N N 88 116.707 116.707 117.079 -0.372 17824 7591 1 18 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.295 0.468 17824 7592 1 18 . 1 1 88 88 LEU C C 88 178.008 178.008 178.767 -0.759 17824 7593 1 18 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.643 -0.915 17824 7594 1 18 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.581 0.615 17824 7595 1 18 . 1 1 88 88 LEU H H 88 8.246 8.246 8.193 0.053 17824 7596 1 18 . 1 1 89 89 LYS N N 89 117.240 117.240 116.885 0.355 17824 7597 1 18 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.078 0.003 17824 7598 1 18 . 1 1 89 89 LYS C C 89 178.385 178.385 177.710 0.675 17824 7599 1 18 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.444 0.467 17824 7600 1 18 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.206 0.098 17824 7601 1 18 . 1 1 89 89 LYS H H 89 7.309 7.309 7.745 -0.436 17824 7602 1 18 . 1 1 90 90 THR N N 90 106.446 106.446 110.557 -4.111 17824 7603 1 18 . 1 1 90 90 THR HA H 90 4.383 4.383 4.160 0.223 17824 7604 1 18 . 1 1 90 90 THR C C 90 173.919 173.919 174.409 -0.490 17824 7605 1 18 . 1 1 90 90 THR CA C 90 62.069 62.069 62.208 -0.139 17824 7606 1 18 . 1 1 90 90 THR CB C 90 70.133 70.133 69.696 0.437 17824 7607 1 18 . 1 1 90 90 THR H H 90 7.452 7.452 7.506 -0.054 17824 7608 1 18 . 1 1 91 91 ARG N N 91 121.616 121.616 119.967 1.649 17824 7609 1 18 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.444 -0.039 17824 7610 1 18 . 1 1 91 91 ARG C C 91 174.754 174.754 175.349 -0.595 17824 7611 1 18 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.438 1.395 17824 7612 1 18 . 1 1 91 91 ARG CB C 91 33.885 33.885 31.954 1.931 17824 7613 1 18 . 1 1 91 91 ARG H H 91 7.426 7.426 7.784 -0.358 17824 7614 1 18 . 1 1 92 92 GLN N N 92 118.161 118.161 120.024 -1.863 17824 7615 1 18 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.343 0.365 17824 7616 1 18 . 1 1 92 92 GLN C C 92 176.437 176.437 174.840 1.597 17824 7617 1 18 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.354 -1.571 17824 7618 1 18 . 1 1 92 92 GLN CB C 92 28.958 28.958 30.013 -1.055 17824 7619 1 18 . 1 1 92 92 GLN H H 92 8.526 8.526 8.661 -0.135 17824 7620 1 18 . 1 1 93 93 VAL N N 93 109.557 109.557 111.877 -2.320 17824 7621 1 18 . 1 1 93 93 VAL HA H 93 5.065 5.065 5.098 -0.033 17824 7622 1 18 . 1 1 93 93 VAL C C 93 174.806 174.806 175.358 -0.552 17824 7623 1 18 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.141 -0.793 17824 7624 1 18 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.560 0.748 17824 7625 1 18 . 1 1 93 93 VAL H H 93 7.083 7.083 7.195 -0.112 17824 7626 1 18 . 1 1 94 94 CYS N N 94 123.889 123.889 121.956 1.933 17824 7627 1 18 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.539 -0.035 17824 7628 1 18 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.250 -4.390 17824 7629 1 18 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.557 4.208 17824 7630 1 18 . 1 1 94 94 CYS H H 94 9.020 9.020 9.252 -0.232 17824 7631 1 18 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.075 0.005 17824 7632 1 18 . 1 1 95 95 PRO C C 95 177.037 177.037 176.257 0.780 17824 7633 1 18 . 1 1 95 95 PRO CA C 95 63.998 63.998 65.052 -1.054 17824 7634 1 18 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.865 0.797 17824 7635 1 18 . 1 1 96 96 LEU N N 96 118.497 118.497 117.369 1.128 17824 7636 1 18 . 1 1 96 96 LEU HA H 96 4.316 4.316 3.346 0.970 17824 7637 1 18 . 1 1 96 96 LEU C C 96 177.797 177.797 177.771 0.026 17824 7638 1 18 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.599 -0.787 17824 7639 1 18 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.073 2.001 17824 7640 1 18 . 1 1 96 96 LEU H H 96 8.798 8.798 7.458 1.340 17824 7641 1 18 . 1 1 97 97 ASP N N 97 114.958 114.958 118.350 -3.392 17824 7642 1 18 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.625 0.327 17824 7643 1 18 . 1 1 97 97 ASP C C 97 175.946 175.946 176.300 -0.354 17824 7644 1 18 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.267 -0.555 17824 7645 1 18 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.740 2.442 17824 7646 1 18 . 1 1 97 97 ASP H H 97 7.396 7.396 8.296 -0.900 17824 7647 1 18 . 1 1 98 98 ASN N N 98 115.407 115.407 113.560 1.847 17824 7648 1 18 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.557 -0.133 17824 7649 1 18 . 1 1 98 98 ASN C C 98 173.934 173.934 174.033 -0.099 17824 7650 1 18 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.539 0.762 17824 7651 1 18 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.370 1.626 17824 7652 1 18 . 1 1 98 98 ASN H H 98 8.332 8.332 8.115 0.217 17824 7653 1 18 . 1 1 99 99 ARG N N 99 119.005 119.005 117.767 1.238 17824 7654 1 18 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.615 -0.143 17824 7655 1 18 . 1 1 99 99 ARG C C 99 176.631 176.631 175.340 1.291 17824 7656 1 18 . 1 1 99 99 ARG CA C 99 55.821 55.821 53.707 2.114 17824 7657 1 18 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.328 -1.359 17824 7658 1 18 . 1 1 99 99 ARG H H 99 8.825 8.825 7.926 0.899 17824 7659 1 18 . 1 1 100 100 GLU N N 100 122.676 122.676 123.138 -0.462 17824 7660 1 18 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.339 -0.189 17824 7661 1 18 . 1 1 100 100 GLU C C 100 176.647 176.647 176.060 0.587 17824 7662 1 18 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.570 0.778 17824 7663 1 18 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.323 -0.589 17824 7664 1 18 . 1 1 100 100 GLU H H 100 8.869 8.869 8.789 0.080 17824 7665 1 18 . 1 1 101 101 TRP N N 101 126.288 126.288 130.195 -3.907 17824 7666 1 18 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.725 -0.122 17824 7667 1 18 . 1 1 101 101 TRP C C 101 175.786 175.786 175.281 0.505 17824 7668 1 18 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.560 0.375 17824 7669 1 18 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.031 -0.273 17824 7670 1 18 . 1 1 101 101 TRP H H 101 8.437 8.437 8.610 -0.173 17824 7671 1 18 . 1 1 102 102 GLU N N 102 127.912 127.912 124.019 3.893 17824 7672 1 18 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.408 -0.136 17824 7673 1 18 . 1 1 102 102 GLU C C 102 174.791 174.791 174.800 -0.009 17824 7674 1 18 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.370 0.354 17824 7675 1 18 . 1 1 102 102 GLU CB C 102 33.255 33.255 32.833 0.422 17824 7676 1 18 . 1 1 102 102 GLU H H 102 7.319 7.319 7.872 -0.553 17824 7677 1 18 . 1 1 103 103 PHE N N 103 122.445 122.445 123.762 -1.317 17824 7678 1 18 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.876 -0.508 17824 7679 1 18 . 1 1 103 103 PHE C C 103 176.419 176.419 176.352 0.067 17824 7680 1 18 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.475 1.595 17824 7681 1 18 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.355 0.519 17824 7682 1 18 . 1 1 103 103 PHE H H 103 8.827 8.827 8.776 0.051 17824 7683 1 18 . 1 1 104 104 GLN N N 104 122.896 122.896 126.864 -3.968 17824 7684 1 18 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.285 0.001 17824 7685 1 18 . 1 1 104 104 GLN C C 104 175.487 175.487 175.272 0.215 17824 7686 1 18 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.837 -1.567 17824 7687 1 18 . 1 1 104 104 GLN CB C 104 30.546 30.546 29.890 0.655 17824 7688 1 18 . 1 1 104 104 GLN H H 104 9.119 9.119 8.812 0.307 17824 7689 1 18 . 1 1 105 105 LYS N N 105 121.917 121.917 116.325 5.592 17824 7690 1 18 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.596 -0.160 17824 7691 1 18 . 1 1 105 105 LYS C C 105 175.219 175.219 174.306 0.913 17824 7692 1 18 . 1 1 105 105 LYS CA C 105 56.282 56.282 56.054 0.228 17824 7693 1 18 . 1 1 105 105 LYS CB C 105 33.804 33.804 36.155 -2.351 17824 7694 1 18 . 1 1 105 105 LYS H H 105 8.308 8.308 7.910 0.398 17824 7695 1 18 . 1 1 106 106 TYR N N 106 121.451 121.451 118.454 2.997 17824 7696 1 18 . 1 1 106 106 TYR HA H 106 4.814 4.814 5.020 -0.206 17824 7697 1 18 . 1 1 106 106 TYR C C 106 176.017 176.017 174.798 1.219 17824 7698 1 18 . 1 1 106 106 TYR CA C 106 57.828 57.828 56.354 1.474 17824 7699 1 18 . 1 1 106 106 TYR CB C 106 39.606 39.606 41.685 -2.079 17824 7700 1 18 . 1 1 106 106 TYR H H 106 8.431 8.431 7.905 0.526 17824 7701 1 18 . 1 1 107 107 GLY N N 107 110.965 110.965 108.163 2.802 17824 7702 1 18 . 1 1 107 107 GLY C C 107 172.723 172.723 172.982 -0.259 17824 7703 1 18 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.535 0.747 17824 7704 1 18 . 1 1 107 107 GLY H H 107 8.395 8.395 7.974 0.421 17824 7705 1 19 . 1 1 35 35 TRP N N 35 118.681 118.681 123.216 -4.535 17824 7706 1 19 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.410 0.233 17824 7707 1 19 . 1 1 35 35 TRP C C 35 175.833 175.833 175.643 0.190 17824 7708 1 19 . 1 1 35 35 TRP CA C 35 56.900 56.900 58.450 -1.550 17824 7709 1 19 . 1 1 35 35 TRP CB C 35 29.375 29.375 29.894 -0.519 17824 7710 1 19 . 1 1 35 35 TRP H H 35 7.831 7.831 8.543 -0.713 17824 7711 1 19 . 1 1 36 36 ASP N N 36 121.178 121.178 119.565 1.613 17824 7712 1 19 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.567 0.007 17824 7713 1 19 . 1 1 36 36 ASP C C 36 175.821 175.821 175.174 0.647 17824 7714 1 19 . 1 1 36 36 ASP CA C 36 54.622 54.622 54.528 0.094 17824 7715 1 19 . 1 1 36 36 ASP CB C 36 41.150 41.150 41.381 -0.231 17824 7716 1 19 . 1 1 36 36 ASP H H 36 8.111 8.111 8.131 -0.020 17824 7717 1 19 . 1 1 37 37 ILE N N 37 120.177 120.177 119.347 0.830 17824 7718 1 19 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.397 -0.241 17824 7719 1 19 . 1 1 37 37 ILE C C 37 175.817 175.817 174.356 1.461 17824 7720 1 19 . 1 1 37 37 ILE CA C 37 61.638 61.638 60.336 1.302 17824 7721 1 19 . 1 1 37 37 ILE CB C 37 39.034 39.034 39.661 -0.627 17824 7722 1 19 . 1 1 37 37 ILE H H 37 7.820 7.820 7.786 0.034 17824 7723 1 19 . 1 1 38 38 VAL N N 38 124.844 124.844 125.224 -0.380 17824 7724 1 19 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.372 -0.212 17824 7725 1 19 . 1 1 38 38 VAL C C 38 176.102 176.102 176.455 -0.353 17824 7726 1 19 . 1 1 38 38 VAL CA C 38 62.055 62.055 61.514 0.541 17824 7727 1 19 . 1 1 38 38 VAL CB C 38 32.764 32.764 35.620 -2.856 17824 7728 1 19 . 1 1 38 38 VAL H H 38 8.203 8.203 8.391 -0.188 17824 7729 1 19 . 1 1 39 39 VAL N N 39 123.813 123.813 122.053 1.760 17824 7730 1 19 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.930 0.208 17824 7731 1 19 . 1 1 39 39 VAL C C 39 174.919 174.919 175.215 -0.296 17824 7732 1 19 . 1 1 39 39 VAL CA C 39 62.605 62.605 62.408 0.197 17824 7733 1 19 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.768 1.056 17824 7734 1 19 . 1 1 39 39 VAL H H 39 8.163 8.163 8.501 -0.338 17824 7735 1 19 . 1 1 40 40 ASP N N 40 122.074 122.074 119.743 2.331 17824 7736 1 19 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.699 -0.231 17824 7737 1 19 . 1 1 40 40 ASP C C 40 174.408 174.408 175.161 -0.753 17824 7738 1 19 . 1 1 40 40 ASP CA C 40 54.389 54.389 55.014 -0.625 17824 7739 1 19 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.678 0.477 17824 7740 1 19 . 1 1 40 40 ASP H H 40 8.154 8.154 8.467 -0.313 17824 7741 1 19 . 1 1 41 41 ASN N N 41 115.983 115.983 116.971 -0.988 17824 7742 1 19 . 1 1 41 41 ASN HA H 41 4.762 4.762 5.073 -0.311 17824 7743 1 19 . 1 1 41 41 ASN C C 41 174.643 174.643 173.609 1.034 17824 7744 1 19 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.822 -0.496 17824 7745 1 19 . 1 1 41 41 ASN CB C 41 40.384 40.384 42.224 -1.840 17824 7746 1 19 . 1 1 41 41 ASN H H 41 7.901 7.901 7.390 0.511 17824 7747 1 19 . 1 1 42 42 CYS N N 42 123.612 123.612 122.889 0.723 17824 7748 1 19 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.526 -0.240 17824 7749 1 19 . 1 1 42 42 CYS C C 42 176.756 176.756 175.668 1.088 17824 7750 1 19 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.391 0.409 17824 7751 1 19 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.519 4.254 17824 7752 1 19 . 1 1 42 42 CYS H H 42 8.503 8.503 8.728 -0.225 17824 7753 1 19 . 1 1 43 43 ALA N N 43 132.181 132.181 132.283 -0.102 17824 7754 1 19 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.130 0.035 17824 7755 1 19 . 1 1 43 43 ALA C C 43 177.706 177.706 179.006 -1.300 17824 7756 1 19 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.717 -1.073 17824 7757 1 19 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.668 0.743 17824 7758 1 19 . 1 1 43 43 ALA H H 43 9.493 9.493 8.965 0.528 17824 7759 1 19 . 1 1 44 44 ILE N N 44 116.079 116.079 117.369 -1.290 17824 7760 1 19 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.832 -0.036 17824 7761 1 19 . 1 1 44 44 ILE C C 44 176.208 176.208 176.707 -0.499 17824 7762 1 19 . 1 1 44 44 ILE CA C 44 64.532 64.532 64.470 0.062 17824 7763 1 19 . 1 1 44 44 ILE CB C 44 39.092 39.092 37.954 1.138 17824 7764 1 19 . 1 1 44 44 ILE H H 44 7.956 7.956 7.979 -0.023 17824 7765 1 19 . 1 1 45 45 CYS N N 45 116.456 116.456 112.333 4.123 17824 7766 1 19 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.620 0.404 17824 7767 1 19 . 1 1 45 45 CYS C C 45 175.747 175.747 175.141 0.606 17824 7768 1 19 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.792 1.389 17824 7769 1 19 . 1 1 45 45 CYS CB C 45 32.878 32.878 28.134 4.744 17824 7770 1 19 . 1 1 45 45 CYS H H 45 7.818 7.818 7.842 -0.024 17824 7771 1 19 . 1 1 46 46 ARG N N 46 117.125 117.125 119.330 -2.205 17824 7772 1 19 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.030 -0.025 17824 7773 1 19 . 1 1 46 46 ARG C C 46 175.539 175.539 174.689 0.850 17824 7774 1 19 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.773 3.011 17824 7775 1 19 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.818 -1.224 17824 7776 1 19 . 1 1 46 46 ARG H H 46 8.511 8.511 8.160 0.351 17824 7777 1 19 . 1 1 47 47 ASN N N 47 121.377 121.377 116.384 4.993 17824 7778 1 19 . 1 1 47 47 ASN HA H 47 5.012 5.012 4.858 0.154 17824 7779 1 19 . 1 1 47 47 ASN C C 47 175.537 175.537 173.798 1.739 17824 7780 1 19 . 1 1 47 47 ASN CA C 47 49.022 49.022 50.913 -1.891 17824 7781 1 19 . 1 1 47 47 ASN CB C 47 39.015 39.015 40.409 -1.394 17824 7782 1 19 . 1 1 47 47 ASN H H 47 8.720 8.720 7.485 1.235 17824 7783 1 19 . 1 1 48 48 HIS N N 48 122.235 122.235 119.194 3.041 17824 7784 1 19 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.400 0.099 17824 7785 1 19 . 1 1 48 48 HIS C C 48 177.722 177.722 174.823 2.899 17824 7786 1 19 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.401 1.471 17824 7787 1 19 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.066 -0.346 17824 7788 1 19 . 1 1 48 48 HIS H H 48 9.226 9.226 8.544 0.682 17824 7789 1 19 . 1 1 49 49 ILE N N 49 126.643 126.643 124.368 2.275 17824 7790 1 19 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.780 -0.380 17824 7791 1 19 . 1 1 49 49 ILE CA C 49 61.488 61.488 61.595 -0.107 17824 7792 1 19 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.906 0.065 17824 7793 1 19 . 1 1 49 49 ILE H H 49 7.991 7.991 7.804 0.187 17824 7794 1 19 . 1 1 50 50 MET HA H 50 4.268 4.268 4.260 0.008 17824 7795 1 19 . 1 1 50 50 MET C C 50 177.236 177.236 174.602 2.634 17824 7796 1 19 . 1 1 50 50 MET CA C 50 54.795 54.795 56.594 -1.799 17824 7797 1 19 . 1 1 50 50 MET CB C 50 31.357 31.357 29.932 1.425 17824 7798 1 19 . 1 1 51 51 ASP N N 51 121.143 121.143 118.879 2.264 17824 7799 1 19 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.620 -0.607 17824 7800 1 19 . 1 1 51 51 ASP C C 51 176.770 176.770 175.231 1.539 17824 7801 1 19 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.693 -2.590 17824 7802 1 19 . 1 1 51 51 ASP CB C 51 43.285 43.285 44.804 -1.519 17824 7803 1 19 . 1 1 51 51 ASP H H 51 7.854 7.854 7.940 -0.086 17824 7804 1 19 . 1 1 52 52 LEU N N 52 119.501 119.501 121.200 -1.699 17824 7805 1 19 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.273 0.073 17824 7806 1 19 . 1 1 52 52 LEU C C 52 177.049 177.049 176.459 0.590 17824 7807 1 19 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.460 -0.029 17824 7808 1 19 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.701 0.654 17824 7809 1 19 . 1 1 52 52 LEU H H 52 8.484 8.484 8.570 -0.086 17824 7810 1 19 . 1 1 53 53 CYS N N 53 120.790 120.790 118.371 2.419 17824 7811 1 19 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.579 -0.733 17824 7812 1 19 . 1 1 53 53 CYS C C 53 175.247 175.247 176.668 -1.421 17824 7813 1 19 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.023 -0.192 17824 7814 1 19 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.288 3.356 17824 7815 1 19 . 1 1 53 53 CYS H H 53 8.151 8.151 8.151 -0.000 17824 7816 1 19 . 1 1 54 54 ILE N N 54 116.790 116.790 120.574 -3.784 17824 7817 1 19 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.714 0.221 17824 7818 1 19 . 1 1 54 54 ILE C C 54 176.615 176.615 177.438 -0.823 17824 7819 1 19 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.698 -1.792 17824 7820 1 19 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.635 1.399 17824 7821 1 19 . 1 1 54 54 ILE H H 54 6.626 6.626 8.831 -2.205 17824 7822 1 19 . 1 1 55 55 GLU N N 55 123.451 123.451 118.986 4.465 17824 7823 1 19 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.273 -0.119 17824 7824 1 19 . 1 1 55 55 GLU C C 55 179.075 179.075 178.633 0.442 17824 7825 1 19 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.485 1.296 17824 7826 1 19 . 1 1 55 55 GLU CB C 55 30.464 30.464 28.866 1.599 17824 7827 1 19 . 1 1 55 55 GLU H H 55 7.642 7.642 8.440 -0.798 17824 7828 1 19 . 1 1 56 56 CYS N N 56 124.445 124.445 118.092 6.353 17824 7829 1 19 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.248 -0.260 17824 7830 1 19 . 1 1 56 56 CYS C C 56 178.290 178.290 177.115 1.175 17824 7831 1 19 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.991 1.987 17824 7832 1 19 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.356 3.296 17824 7833 1 19 . 1 1 56 56 CYS H H 56 8.676 8.676 8.220 0.456 17824 7834 1 19 . 1 1 57 57 GLN N N 57 117.736 117.736 120.725 -2.989 17824 7835 1 19 . 1 1 57 57 GLN HA H 57 3.892 3.892 3.949 -0.057 17824 7836 1 19 . 1 1 57 57 GLN C C 57 177.428 177.428 178.063 -0.635 17824 7837 1 19 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.880 -0.008 17824 7838 1 19 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.836 0.992 17824 7839 1 19 . 1 1 57 57 GLN H H 57 8.419 8.419 8.375 0.044 17824 7840 1 19 . 1 1 58 58 ALA N N 58 119.578 119.578 121.677 -2.099 17824 7841 1 19 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.164 0.113 17824 7842 1 19 . 1 1 58 58 ALA C C 58 178.087 178.087 179.085 -0.998 17824 7843 1 19 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.872 -0.350 17824 7844 1 19 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.124 0.893 17824 7845 1 19 . 1 1 58 58 ALA H H 58 7.335 7.335 7.613 -0.278 17824 7846 1 19 . 1 1 59 59 ASN N N 59 116.209 116.209 116.472 -0.263 17824 7847 1 19 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.595 0.223 17824 7848 1 19 . 1 1 59 59 ASN C C 59 175.372 175.372 175.299 0.073 17824 7849 1 19 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.646 -1.988 17824 7850 1 19 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.568 -0.459 17824 7851 1 19 . 1 1 59 59 ASN H H 59 7.617 7.617 8.194 -0.577 17824 7852 1 19 . 1 1 60 60 GLN N N 60 120.078 120.078 116.543 3.535 17824 7853 1 19 . 1 1 60 60 GLN HA H 60 4.212 4.212 4.036 0.176 17824 7854 1 19 . 1 1 60 60 GLN C C 60 176.218 176.218 173.692 2.526 17824 7855 1 19 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.093 1.217 17824 7856 1 19 . 1 1 60 60 GLN CB C 60 28.650 28.650 27.734 0.916 17824 7857 1 19 . 1 1 60 60 GLN H H 60 8.116 8.116 8.206 -0.090 17824 7858 1 19 . 1 1 61 61 ALA N N 61 122.298 122.298 128.136 -5.838 17824 7859 1 19 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.607 -0.289 17824 7860 1 19 . 1 1 61 61 ALA C C 61 177.964 177.964 176.604 1.360 17824 7861 1 19 . 1 1 61 61 ALA CA C 61 53.440 53.440 51.136 2.304 17824 7862 1 19 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.802 -1.150 17824 7863 1 19 . 1 1 61 61 ALA H H 61 8.345 8.345 8.343 0.002 17824 7864 1 19 . 1 1 62 62 SER N N 62 113.232 113.232 121.301 -8.069 17824 7865 1 19 . 1 1 62 62 SER HA H 62 4.454 4.454 4.594 -0.140 17824 7866 1 19 . 1 1 62 62 SER C C 62 174.747 174.747 176.124 -1.377 17824 7867 1 19 . 1 1 62 62 SER CA C 62 58.197 58.197 59.330 -1.133 17824 7868 1 19 . 1 1 62 62 SER CB C 62 63.906 63.906 63.605 0.301 17824 7869 1 19 . 1 1 62 62 SER H H 62 8.011 8.011 8.915 -0.904 17824 7870 1 19 . 1 1 63 63 ALA N N 63 125.573 125.573 125.348 0.225 17824 7871 1 19 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.244 -0.061 17824 7872 1 19 . 1 1 63 63 ALA C C 63 178.091 178.091 177.316 0.775 17824 7873 1 19 . 1 1 63 63 ALA CA C 63 53.006 53.006 54.324 -1.318 17824 7874 1 19 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.100 -0.344 17824 7875 1 19 . 1 1 63 63 ALA H H 63 8.323 8.323 7.868 0.455 17824 7876 1 19 . 1 1 64 64 THR N N 64 111.006 111.006 110.197 0.809 17824 7877 1 19 . 1 1 64 64 THR HA H 64 4.495 4.495 4.450 0.045 17824 7878 1 19 . 1 1 64 64 THR C C 64 175.346 175.346 173.630 1.716 17824 7879 1 19 . 1 1 64 64 THR CA C 64 61.903 61.903 62.205 -0.302 17824 7880 1 19 . 1 1 64 64 THR CB C 64 69.903 69.903 71.544 -1.641 17824 7881 1 19 . 1 1 64 64 THR H H 64 8.071 8.071 7.475 0.596 17824 7882 1 19 . 1 1 65 65 SER N N 65 118.037 118.037 120.455 -2.418 17824 7883 1 19 . 1 1 65 65 SER HA H 65 4.524 4.524 4.463 0.061 17824 7884 1 19 . 1 1 65 65 SER C C 65 175.131 175.131 175.705 -0.574 17824 7885 1 19 . 1 1 65 65 SER CA C 65 59.795 59.795 59.946 -0.151 17824 7886 1 19 . 1 1 65 65 SER CB C 65 63.833 63.833 63.782 0.051 17824 7887 1 19 . 1 1 65 65 SER H H 65 8.328 8.328 8.711 -0.384 17824 7888 1 19 . 1 1 66 66 GLU N N 66 121.505 121.505 120.587 0.918 17824 7889 1 19 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.068 0.246 17824 7890 1 19 . 1 1 66 66 GLU C C 66 176.394 176.394 175.836 0.558 17824 7891 1 19 . 1 1 66 66 GLU CA C 66 56.995 56.995 59.196 -2.201 17824 7892 1 19 . 1 1 66 66 GLU CB C 66 30.310 30.310 30.027 0.283 17824 7893 1 19 . 1 1 66 66 GLU H H 66 8.368 8.368 8.104 0.264 17824 7894 1 19 . 1 1 67 67 GLU N N 67 119.409 119.409 113.121 6.288 17824 7895 1 19 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.566 -0.275 17824 7896 1 19 . 1 1 67 67 GLU C C 67 175.079 175.079 174.549 0.530 17824 7897 1 19 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.712 1.768 17824 7898 1 19 . 1 1 67 67 GLU CB C 67 29.931 29.931 30.667 -0.736 17824 7899 1 19 . 1 1 67 67 GLU H H 67 8.074 8.074 7.683 0.391 17824 7900 1 19 . 1 1 68 68 CYS N N 68 126.937 126.937 124.623 2.314 17824 7901 1 19 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.414 -0.126 17824 7902 1 19 . 1 1 68 68 CYS C C 68 174.423 174.423 174.314 0.109 17824 7903 1 19 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.610 -0.801 17824 7904 1 19 . 1 1 68 68 CYS CB C 68 28.670 28.670 27.769 0.901 17824 7905 1 19 . 1 1 68 68 CYS H H 68 8.340 8.340 8.444 -0.104 17824 7906 1 19 . 1 1 69 69 THR N N 69 116.442 116.442 109.546 6.896 17824 7907 1 19 . 1 1 69 69 THR HA H 69 4.891 4.891 4.454 0.437 17824 7908 1 19 . 1 1 69 69 THR C C 69 175.561 175.561 172.539 3.022 17824 7909 1 19 . 1 1 69 69 THR CA C 69 60.817 60.817 60.978 -0.161 17824 7910 1 19 . 1 1 69 69 THR CB C 69 71.654 71.654 71.532 0.122 17824 7911 1 19 . 1 1 69 69 THR H H 69 7.497 7.497 7.715 -0.218 17824 7912 1 19 . 1 1 70 70 VAL N N 70 123.637 123.637 121.248 2.389 17824 7913 1 19 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.612 -0.277 17824 7914 1 19 . 1 1 70 70 VAL C C 70 174.368 174.368 173.343 1.025 17824 7915 1 19 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.220 2.722 17824 7916 1 19 . 1 1 70 70 VAL CB C 70 33.897 33.897 34.352 -0.456 17824 7917 1 19 . 1 1 70 70 VAL H H 70 8.862 8.862 8.398 0.464 17824 7918 1 19 . 1 1 71 71 ALA N N 71 128.540 128.540 130.207 -1.667 17824 7919 1 19 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.800 0.486 17824 7920 1 19 . 1 1 71 71 ALA C C 71 174.520 174.520 175.632 -1.112 17824 7921 1 19 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.793 -0.021 17824 7922 1 19 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.770 1.205 17824 7923 1 19 . 1 1 71 71 ALA H H 71 9.247 9.247 9.090 0.157 17824 7924 1 19 . 1 1 72 72 TRP N N 72 120.167 120.167 122.951 -2.784 17824 7925 1 19 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.353 0.067 17824 7926 1 19 . 1 1 72 72 TRP C C 72 177.182 177.182 176.990 0.192 17824 7927 1 19 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.312 1.451 17824 7928 1 19 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.718 0.912 17824 7929 1 19 . 1 1 72 72 TRP H H 72 9.065 9.065 8.113 0.952 17824 7930 1 19 . 1 1 73 73 GLY N N 73 110.755 110.755 108.668 2.087 17824 7931 1 19 . 1 1 73 73 GLY C C 73 177.914 177.914 174.587 3.327 17824 7932 1 19 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.370 0.797 17824 7933 1 19 . 1 1 73 73 GLY H H 73 9.128 9.128 9.561 -0.433 17824 7934 1 19 . 1 1 74 74 VAL N N 74 122.747 122.747 124.507 -1.760 17824 7935 1 19 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.967 -0.131 17824 7936 1 19 . 1 1 74 74 VAL C C 74 176.014 176.014 177.113 -1.099 17824 7937 1 19 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.260 -0.267 17824 7938 1 19 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.767 -0.047 17824 7939 1 19 . 1 1 74 74 VAL H H 74 8.299 8.299 8.156 0.143 17824 7940 1 19 . 1 1 75 75 CYS N N 75 116.720 116.720 115.410 1.310 17824 7941 1 19 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.464 -0.169 17824 7942 1 19 . 1 1 75 75 CYS C C 75 174.359 174.359 175.218 -0.859 17824 7943 1 19 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.384 0.833 17824 7944 1 19 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.878 3.824 17824 7945 1 19 . 1 1 75 75 CYS H H 75 7.567 7.567 7.965 -0.398 17824 7946 1 19 . 1 1 76 76 ASN N N 76 114.522 114.522 117.570 -3.048 17824 7947 1 19 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.250 0.184 17824 7948 1 19 . 1 1 76 76 ASN C C 76 173.726 173.726 173.464 0.262 17824 7949 1 19 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.103 1.549 17824 7950 1 19 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.862 0.086 17824 7951 1 19 . 1 1 76 76 ASN H H 76 8.060 8.060 8.099 -0.039 17824 7952 1 19 . 1 1 77 77 HIS N N 77 117.754 117.754 116.674 1.080 17824 7953 1 19 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.781 -0.064 17824 7954 1 19 . 1 1 77 77 HIS C C 77 172.650 172.650 173.257 -0.607 17824 7955 1 19 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.347 3.478 17824 7956 1 19 . 1 1 77 77 HIS CB C 77 32.889 32.889 33.697 -0.808 17824 7957 1 19 . 1 1 77 77 HIS H H 77 7.797 7.797 7.596 0.201 17824 7958 1 19 . 1 1 78 78 ALA N N 78 122.889 122.889 123.682 -0.793 17824 7959 1 19 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.532 -0.583 17824 7960 1 19 . 1 1 78 78 ALA C C 78 174.873 174.873 174.917 -0.044 17824 7961 1 19 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.289 -1.760 17824 7962 1 19 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.805 -1.728 17824 7963 1 19 . 1 1 78 78 ALA H H 78 7.811 7.811 8.400 -0.589 17824 7964 1 19 . 1 1 79 79 PHE N N 79 113.618 113.618 120.060 -6.442 17824 7965 1 19 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.731 -0.032 17824 7966 1 19 . 1 1 79 79 PHE C C 79 176.138 176.138 174.738 1.400 17824 7967 1 19 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.898 -1.549 17824 7968 1 19 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.245 2.341 17824 7969 1 19 . 1 1 79 79 PHE H H 79 8.377 8.377 8.811 -0.434 17824 7970 1 19 . 1 1 80 80 HIS N N 80 118.823 118.823 120.132 -1.309 17824 7971 1 19 . 1 1 80 80 HIS HA H 80 4.829 4.829 5.019 -0.190 17824 7972 1 19 . 1 1 80 80 HIS C C 80 177.268 177.268 176.602 0.666 17824 7973 1 19 . 1 1 80 80 HIS CA C 80 60.949 60.949 55.522 5.427 17824 7974 1 19 . 1 1 80 80 HIS CB C 80 29.735 29.735 31.116 -1.381 17824 7975 1 19 . 1 1 80 80 HIS H H 80 8.429 8.429 8.349 0.080 17824 7976 1 19 . 1 1 81 81 PHE N N 81 129.040 129.040 125.944 3.096 17824 7977 1 19 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.284 0.055 17824 7978 1 19 . 1 1 81 81 PHE C C 81 178.911 178.911 176.610 2.301 17824 7979 1 19 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.039 -0.201 17824 7980 1 19 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.268 -0.212 17824 7981 1 19 . 1 1 81 81 PHE H H 81 9.881 9.881 9.229 0.652 17824 7982 1 19 . 1 1 82 82 HIS N N 82 120.611 120.611 118.941 1.670 17824 7983 1 19 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.024 0.262 17824 7984 1 19 . 1 1 82 82 HIS C C 82 177.694 177.694 177.389 0.305 17824 7985 1 19 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.683 -0.779 17824 7986 1 19 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.971 2.862 17824 7987 1 19 . 1 1 82 82 HIS H H 82 10.457 10.457 8.224 2.233 17824 7988 1 19 . 1 1 83 83 CYS N N 83 117.628 117.628 117.397 0.231 17824 7989 1 19 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.076 0.078 17824 7990 1 19 . 1 1 83 83 CYS C C 83 177.768 177.768 176.821 0.947 17824 7991 1 19 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.940 0.028 17824 7992 1 19 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.159 2.745 17824 7993 1 19 . 1 1 83 83 CYS H H 83 6.933 6.933 8.520 -1.587 17824 7994 1 19 . 1 1 84 84 ILE N N 84 119.139 119.139 120.426 -1.287 17824 7995 1 19 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.452 0.390 17824 7996 1 19 . 1 1 84 84 ILE C C 84 175.705 175.705 177.235 -1.530 17824 7997 1 19 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.299 -3.422 17824 7998 1 19 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.625 0.452 17824 7999 1 19 . 1 1 84 84 ILE H H 84 8.290 8.290 8.725 -0.435 17824 8000 1 19 . 1 1 85 85 SER N N 85 118.224 118.224 116.180 2.044 17824 8001 1 19 . 1 1 85 85 SER HA H 85 3.995 3.995 4.053 -0.058 17824 8002 1 19 . 1 1 85 85 SER C C 85 176.097 176.097 176.708 -0.611 17824 8003 1 19 . 1 1 85 85 SER CA C 85 62.841 62.841 61.745 1.095 17824 8004 1 19 . 1 1 85 85 SER CB C 85 62.009 62.009 62.527 -0.518 17824 8005 1 19 . 1 1 85 85 SER H H 85 8.157 8.157 8.250 -0.093 17824 8006 1 19 . 1 1 86 86 ARG N N 86 120.496 120.496 121.284 -0.788 17824 8007 1 19 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.060 -0.036 17824 8008 1 19 . 1 1 86 86 ARG C C 86 179.382 179.382 178.452 0.930 17824 8009 1 19 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.525 1.340 17824 8010 1 19 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.515 0.345 17824 8011 1 19 . 1 1 86 86 ARG H H 86 7.174 7.174 7.545 -0.371 17824 8012 1 19 . 1 1 87 87 TRP N N 87 123.951 123.951 121.566 2.385 17824 8013 1 19 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.227 -0.068 17824 8014 1 19 . 1 1 87 87 TRP C C 87 177.572 177.572 178.183 -0.611 17824 8015 1 19 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.129 0.795 17824 8016 1 19 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.420 -0.174 17824 8017 1 19 . 1 1 87 87 TRP H H 87 7.981 7.981 7.841 0.140 17824 8018 1 19 . 1 1 88 88 LEU N N 88 116.707 116.707 116.691 0.016 17824 8019 1 19 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.076 0.687 17824 8020 1 19 . 1 1 88 88 LEU C C 88 178.008 178.008 178.744 -0.736 17824 8021 1 19 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.443 -0.715 17824 8022 1 19 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.706 0.490 17824 8023 1 19 . 1 1 88 88 LEU H H 88 8.246 8.246 8.156 0.090 17824 8024 1 19 . 1 1 89 89 LYS N N 89 117.240 117.240 118.000 -0.760 17824 8025 1 19 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.034 0.047 17824 8026 1 19 . 1 1 89 89 LYS C C 89 178.385 178.385 177.661 0.724 17824 8027 1 19 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.618 0.293 17824 8028 1 19 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.637 -0.333 17824 8029 1 19 . 1 1 89 89 LYS H H 89 7.309 7.309 7.806 -0.497 17824 8030 1 19 . 1 1 90 90 THR N N 90 106.446 106.446 110.354 -3.908 17824 8031 1 19 . 1 1 90 90 THR HA H 90 4.383 4.383 4.222 0.161 17824 8032 1 19 . 1 1 90 90 THR C C 90 173.919 173.919 173.641 0.278 17824 8033 1 19 . 1 1 90 90 THR CA C 90 62.069 62.069 61.887 0.182 17824 8034 1 19 . 1 1 90 90 THR CB C 90 70.133 70.133 69.815 0.318 17824 8035 1 19 . 1 1 90 90 THR H H 90 7.452 7.452 7.345 0.107 17824 8036 1 19 . 1 1 91 91 ARG N N 91 121.616 121.616 119.371 2.245 17824 8037 1 19 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.406 -0.001 17824 8038 1 19 . 1 1 91 91 ARG C C 91 174.754 174.754 174.611 0.143 17824 8039 1 19 . 1 1 91 91 ARG CA C 91 54.833 54.833 54.063 0.770 17824 8040 1 19 . 1 1 91 91 ARG CB C 91 33.885 33.885 31.931 1.954 17824 8041 1 19 . 1 1 91 91 ARG H H 91 7.426 7.426 7.416 0.010 17824 8042 1 19 . 1 1 92 92 GLN N N 92 118.161 118.161 118.922 -0.761 17824 8043 1 19 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.490 0.218 17824 8044 1 19 . 1 1 92 92 GLN C C 92 176.437 176.437 174.541 1.896 17824 8045 1 19 . 1 1 92 92 GLN CA C 92 55.783 55.783 55.401 0.382 17824 8046 1 19 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.895 -0.937 17824 8047 1 19 . 1 1 92 92 GLN H H 92 8.526 8.526 8.621 -0.095 17824 8048 1 19 . 1 1 93 93 VAL N N 93 109.557 109.557 112.339 -2.782 17824 8049 1 19 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.734 0.331 17824 8050 1 19 . 1 1 93 93 VAL C C 93 174.806 174.806 175.031 -0.225 17824 8051 1 19 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.338 -0.990 17824 8052 1 19 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.792 0.516 17824 8053 1 19 . 1 1 93 93 VAL H H 93 7.083 7.083 7.268 -0.185 17824 8054 1 19 . 1 1 94 94 CYS N N 94 123.889 123.889 122.161 1.728 17824 8055 1 19 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.680 -0.176 17824 8056 1 19 . 1 1 94 94 CYS CA C 94 56.860 56.860 60.695 -3.835 17824 8057 1 19 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.989 3.776 17824 8058 1 19 . 1 1 94 94 CYS H H 94 9.020 9.020 9.252 -0.232 17824 8059 1 19 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.122 -0.042 17824 8060 1 19 . 1 1 95 95 PRO C C 95 177.037 177.037 176.869 0.168 17824 8061 1 19 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.515 -0.517 17824 8062 1 19 . 1 1 95 95 PRO CB C 95 31.662 31.662 31.061 0.601 17824 8063 1 19 . 1 1 96 96 LEU N N 96 118.497 118.497 117.320 1.177 17824 8064 1 19 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.175 0.141 17824 8065 1 19 . 1 1 96 96 LEU C C 96 177.797 177.797 177.626 0.171 17824 8066 1 19 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.514 -0.702 17824 8067 1 19 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.759 1.315 17824 8068 1 19 . 1 1 96 96 LEU H H 96 8.798 8.798 7.702 1.096 17824 8069 1 19 . 1 1 97 97 ASP N N 97 114.958 114.958 117.528 -2.570 17824 8070 1 19 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.653 0.299 17824 8071 1 19 . 1 1 97 97 ASP C C 97 175.946 175.946 176.064 -0.118 17824 8072 1 19 . 1 1 97 97 ASP CA C 97 54.712 54.712 54.140 0.572 17824 8073 1 19 . 1 1 97 97 ASP CB C 97 43.183 43.183 41.478 1.705 17824 8074 1 19 . 1 1 97 97 ASP H H 97 7.396 7.396 7.941 -0.545 17824 8075 1 19 . 1 1 98 98 ASN N N 98 115.407 115.407 115.782 -0.375 17824 8076 1 19 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.624 -0.200 17824 8077 1 19 . 1 1 98 98 ASN C C 98 173.934 173.934 173.951 -0.017 17824 8078 1 19 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.391 0.911 17824 8079 1 19 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.768 1.228 17824 8080 1 19 . 1 1 98 98 ASN H H 98 8.332 8.332 8.183 0.149 17824 8081 1 19 . 1 1 99 99 ARG N N 99 119.005 119.005 118.143 0.862 17824 8082 1 19 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.587 -0.115 17824 8083 1 19 . 1 1 99 99 ARG C C 99 176.631 176.631 175.486 1.145 17824 8084 1 19 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.336 1.485 17824 8085 1 19 . 1 1 99 99 ARG CB C 99 30.970 30.970 33.045 -2.075 17824 8086 1 19 . 1 1 99 99 ARG H H 99 8.825 8.825 7.999 0.826 17824 8087 1 19 . 1 1 100 100 GLU N N 100 122.676 122.676 122.864 -0.188 17824 8088 1 19 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.287 -0.137 17824 8089 1 19 . 1 1 100 100 GLU C C 100 176.647 176.647 176.153 0.494 17824 8090 1 19 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.949 0.399 17824 8091 1 19 . 1 1 100 100 GLU CB C 100 29.734 29.734 29.710 0.024 17824 8092 1 19 . 1 1 100 100 GLU H H 100 8.869 8.869 8.839 0.030 17824 8093 1 19 . 1 1 101 101 TRP N N 101 126.288 126.288 129.141 -2.853 17824 8094 1 19 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.637 -0.034 17824 8095 1 19 . 1 1 101 101 TRP C C 101 175.786 175.786 175.225 0.561 17824 8096 1 19 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.456 0.479 17824 8097 1 19 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.457 -0.699 17824 8098 1 19 . 1 1 101 101 TRP H H 101 8.437 8.437 8.071 0.366 17824 8099 1 19 . 1 1 102 102 GLU N N 102 127.912 127.912 122.944 4.968 17824 8100 1 19 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.253 0.019 17824 8101 1 19 . 1 1 102 102 GLU C C 102 174.791 174.791 174.525 0.266 17824 8102 1 19 . 1 1 102 102 GLU CA C 102 54.724 54.724 53.736 0.988 17824 8103 1 19 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.136 0.119 17824 8104 1 19 . 1 1 102 102 GLU H H 102 7.319 7.319 7.656 -0.337 17824 8105 1 19 . 1 1 103 103 PHE N N 103 122.445 122.445 122.547 -0.102 17824 8106 1 19 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.888 -0.520 17824 8107 1 19 . 1 1 103 103 PHE C C 103 176.419 176.419 176.303 0.116 17824 8108 1 19 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.273 1.797 17824 8109 1 19 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.670 0.204 17824 8110 1 19 . 1 1 103 103 PHE H H 103 8.827 8.827 8.735 0.092 17824 8111 1 19 . 1 1 104 104 GLN N N 104 122.896 122.896 126.292 -3.396 17824 8112 1 19 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.331 -0.045 17824 8113 1 19 . 1 1 104 104 GLN C C 104 175.487 175.487 175.520 -0.033 17824 8114 1 19 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.637 -1.367 17824 8115 1 19 . 1 1 104 104 GLN CB C 104 30.546 30.546 29.852 0.694 17824 8116 1 19 . 1 1 104 104 GLN H H 104 9.119 9.119 8.956 0.163 17824 8117 1 19 . 1 1 105 105 LYS N N 105 121.917 121.917 117.159 4.758 17824 8118 1 19 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.694 -0.258 17824 8119 1 19 . 1 1 105 105 LYS C C 105 175.219 175.219 175.586 -0.367 17824 8120 1 19 . 1 1 105 105 LYS CA C 105 56.282 56.282 55.501 0.781 17824 8121 1 19 . 1 1 105 105 LYS CB C 105 33.804 33.804 35.592 -1.788 17824 8122 1 19 . 1 1 105 105 LYS H H 105 8.308 8.308 7.853 0.455 17824 8123 1 19 . 1 1 106 106 TYR N N 106 121.451 121.451 117.984 3.467 17824 8124 1 19 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.714 0.100 17824 8125 1 19 . 1 1 106 106 TYR C C 106 176.017 176.017 174.381 1.636 17824 8126 1 19 . 1 1 106 106 TYR CA C 106 57.828 57.828 58.384 -0.556 17824 8127 1 19 . 1 1 106 106 TYR CB C 106 39.606 39.606 38.996 0.610 17824 8128 1 19 . 1 1 106 106 TYR H H 106 8.431 8.431 8.033 0.398 17824 8129 1 19 . 1 1 107 107 GLY N N 107 110.965 110.965 106.467 4.498 17824 8130 1 19 . 1 1 107 107 GLY C C 107 172.723 172.723 173.606 -0.883 17824 8131 1 19 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.027 1.255 17824 8132 1 19 . 1 1 107 107 GLY H H 107 8.395 8.395 6.774 1.621 17824 8133 1 20 . 1 1 35 35 TRP N N 35 118.681 118.681 122.158 -3.477 17824 8134 1 20 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.869 -0.226 17824 8135 1 20 . 1 1 35 35 TRP C C 35 175.833 175.833 175.265 0.568 17824 8136 1 20 . 1 1 35 35 TRP CA C 35 56.900 56.900 56.172 0.728 17824 8137 1 20 . 1 1 35 35 TRP CB C 35 29.375 29.375 31.525 -2.150 17824 8138 1 20 . 1 1 35 35 TRP H H 35 7.831 7.831 8.436 -0.605 17824 8139 1 20 . 1 1 36 36 ASP N N 36 121.178 121.178 122.259 -1.081 17824 8140 1 20 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.844 -0.270 17824 8141 1 20 . 1 1 36 36 ASP C C 36 175.821 175.821 176.169 -0.348 17824 8142 1 20 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.794 0.828 17824 8143 1 20 . 1 1 36 36 ASP CB C 36 41.150 41.150 42.594 -1.444 17824 8144 1 20 . 1 1 36 36 ASP H H 36 8.111 8.111 8.651 -0.540 17824 8145 1 20 . 1 1 37 37 ILE N N 37 120.177 120.177 115.561 4.616 17824 8146 1 20 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.334 -0.178 17824 8147 1 20 . 1 1 37 37 ILE C C 37 175.817 175.817 174.897 0.920 17824 8148 1 20 . 1 1 37 37 ILE CA C 37 61.638 61.638 61.181 0.457 17824 8149 1 20 . 1 1 37 37 ILE CB C 37 39.034 39.034 38.553 0.481 17824 8150 1 20 . 1 1 37 37 ILE H H 37 7.820 7.820 8.197 -0.377 17824 8151 1 20 . 1 1 38 38 VAL N N 38 124.844 124.844 121.920 2.924 17824 8152 1 20 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.268 -0.108 17824 8153 1 20 . 1 1 38 38 VAL C C 38 176.102 176.102 176.227 -0.125 17824 8154 1 20 . 1 1 38 38 VAL CA C 38 62.055 62.055 61.448 0.607 17824 8155 1 20 . 1 1 38 38 VAL CB C 38 32.764 32.764 33.521 -0.757 17824 8156 1 20 . 1 1 38 38 VAL H H 38 8.203 8.203 7.551 0.652 17824 8157 1 20 . 1 1 39 39 VAL N N 39 123.813 123.813 121.631 2.182 17824 8158 1 20 . 1 1 39 39 VAL HA H 39 4.138 4.138 4.273 -0.135 17824 8159 1 20 . 1 1 39 39 VAL C C 39 174.919 174.919 175.380 -0.461 17824 8160 1 20 . 1 1 39 39 VAL CA C 39 62.605 62.605 61.346 1.259 17824 8161 1 20 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.883 0.942 17824 8162 1 20 . 1 1 39 39 VAL H H 39 8.163 8.163 8.372 -0.209 17824 8163 1 20 . 1 1 40 40 ASP N N 40 122.074 122.074 118.832 3.242 17824 8164 1 20 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.589 -0.121 17824 8165 1 20 . 1 1 40 40 ASP C C 40 174.408 174.408 175.154 -0.746 17824 8166 1 20 . 1 1 40 40 ASP CA C 40 54.389 54.389 54.663 -0.274 17824 8167 1 20 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.559 0.596 17824 8168 1 20 . 1 1 40 40 ASP H H 40 8.154 8.154 8.334 -0.180 17824 8169 1 20 . 1 1 41 41 ASN N N 41 115.983 115.983 115.631 0.352 17824 8170 1 20 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.958 -0.196 17824 8171 1 20 . 1 1 41 41 ASN C C 41 174.643 174.643 173.760 0.883 17824 8172 1 20 . 1 1 41 41 ASN CA C 41 52.326 52.326 51.601 0.725 17824 8173 1 20 . 1 1 41 41 ASN CB C 41 40.384 40.384 40.968 -0.584 17824 8174 1 20 . 1 1 41 41 ASN H H 41 7.901 7.901 7.466 0.435 17824 8175 1 20 . 1 1 42 42 CYS N N 42 123.612 123.612 122.076 1.536 17824 8176 1 20 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.482 -0.196 17824 8177 1 20 . 1 1 42 42 CYS C C 42 176.756 176.756 175.648 1.108 17824 8178 1 20 . 1 1 42 42 CYS CA C 42 58.800 58.800 59.601 -0.801 17824 8179 1 20 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.547 4.226 17824 8180 1 20 . 1 1 42 42 CYS H H 42 8.503 8.503 8.714 -0.211 17824 8181 1 20 . 1 1 43 43 ALA N N 43 132.181 132.181 132.006 0.175 17824 8182 1 20 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.358 -0.193 17824 8183 1 20 . 1 1 43 43 ALA C C 43 177.706 177.706 177.707 -0.001 17824 8184 1 20 . 1 1 43 43 ALA CA C 43 53.643 53.643 53.862 -0.219 17824 8185 1 20 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.740 0.671 17824 8186 1 20 . 1 1 43 43 ALA H H 43 9.493 9.493 8.921 0.572 17824 8187 1 20 . 1 1 44 44 ILE N N 44 116.079 116.079 117.093 -1.014 17824 8188 1 20 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.840 -0.044 17824 8189 1 20 . 1 1 44 44 ILE C C 44 176.208 176.208 176.710 -0.502 17824 8190 1 20 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.448 1.084 17824 8191 1 20 . 1 1 44 44 ILE CB C 44 39.092 39.092 38.275 0.817 17824 8192 1 20 . 1 1 44 44 ILE H H 44 7.956 7.956 7.833 0.123 17824 8193 1 20 . 1 1 45 45 CYS N N 45 116.456 116.456 112.602 3.854 17824 8194 1 20 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.664 0.360 17824 8195 1 20 . 1 1 45 45 CYS C C 45 175.747 175.747 175.160 0.587 17824 8196 1 20 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.458 1.723 17824 8197 1 20 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.753 3.125 17824 8198 1 20 . 1 1 45 45 CYS H H 45 7.818 7.818 7.665 0.153 17824 8199 1 20 . 1 1 46 46 ARG N N 46 117.125 117.125 119.677 -2.552 17824 8200 1 20 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.152 -0.147 17824 8201 1 20 . 1 1 46 46 ARG C C 46 175.539 175.539 174.907 0.632 17824 8202 1 20 . 1 1 46 46 ARG CA C 46 59.784 59.784 57.014 2.770 17824 8203 1 20 . 1 1 46 46 ARG CB C 46 26.594 26.594 26.929 -0.335 17824 8204 1 20 . 1 1 46 46 ARG H H 46 8.511 8.511 8.431 0.080 17824 8205 1 20 . 1 1 47 47 ASN N N 47 121.377 121.377 115.840 5.537 17824 8206 1 20 . 1 1 47 47 ASN HA H 47 5.012 5.012 5.151 -0.139 17824 8207 1 20 . 1 1 47 47 ASN C C 47 175.537 175.537 173.660 1.877 17824 8208 1 20 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.184 -2.162 17824 8209 1 20 . 1 1 47 47 ASN CB C 47 39.015 39.015 42.398 -3.383 17824 8210 1 20 . 1 1 47 47 ASN H H 47 8.720 8.720 7.634 1.086 17824 8211 1 20 . 1 1 48 48 HIS N N 48 122.235 122.235 119.438 2.797 17824 8212 1 20 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.533 -0.034 17824 8213 1 20 . 1 1 48 48 HIS C C 48 177.722 177.722 175.842 1.880 17824 8214 1 20 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.171 1.701 17824 8215 1 20 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.197 -0.477 17824 8216 1 20 . 1 1 48 48 HIS H H 48 9.226 9.226 8.795 0.431 17824 8217 1 20 . 1 1 49 49 ILE N N 49 126.643 126.643 125.916 0.727 17824 8218 1 20 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.676 -0.276 17824 8219 1 20 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.636 -1.148 17824 8220 1 20 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.503 0.468 17824 8221 1 20 . 1 1 49 49 ILE H H 49 7.991 7.991 7.967 0.024 17824 8222 1 20 . 1 1 50 50 MET HA H 50 4.268 4.268 4.158 0.110 17824 8223 1 20 . 1 1 50 50 MET C C 50 177.236 177.236 174.863 2.373 17824 8224 1 20 . 1 1 50 50 MET CA C 50 54.795 54.795 57.653 -2.858 17824 8225 1 20 . 1 1 50 50 MET CB C 50 31.357 31.357 32.070 -0.713 17824 8226 1 20 . 1 1 51 51 ASP N N 51 121.143 121.143 118.143 3.000 17824 8227 1 20 . 1 1 51 51 ASP HA H 51 5.013 5.013 4.752 0.261 17824 8228 1 20 . 1 1 51 51 ASP C C 51 176.770 176.770 177.204 -0.434 17824 8229 1 20 . 1 1 51 51 ASP CA C 51 50.103 50.103 54.084 -3.981 17824 8230 1 20 . 1 1 51 51 ASP CB C 51 43.285 43.285 42.242 1.043 17824 8231 1 20 . 1 1 51 51 ASP H H 51 7.854 7.854 7.756 0.098 17824 8232 1 20 . 1 1 52 52 LEU N N 52 119.501 119.501 119.792 -0.291 17824 8233 1 20 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.249 0.097 17824 8234 1 20 . 1 1 52 52 LEU C C 52 177.049 177.049 176.474 0.575 17824 8235 1 20 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.591 -0.160 17824 8236 1 20 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.806 0.549 17824 8237 1 20 . 1 1 52 52 LEU H H 52 8.484 8.484 8.614 -0.130 17824 8238 1 20 . 1 1 53 53 CYS N N 53 120.790 120.790 117.086 3.704 17824 8239 1 20 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.566 -0.720 17824 8240 1 20 . 1 1 53 53 CYS C C 53 175.247 175.247 176.683 -1.436 17824 8241 1 20 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.102 -0.271 17824 8242 1 20 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.634 3.010 17824 8243 1 20 . 1 1 53 53 CYS H H 53 8.151 8.151 8.135 0.016 17824 8244 1 20 . 1 1 54 54 ILE N N 54 116.790 116.790 120.386 -3.596 17824 8245 1 20 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.735 0.200 17824 8246 1 20 . 1 1 54 54 ILE C C 54 176.615 176.615 177.937 -1.322 17824 8247 1 20 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.424 -1.518 17824 8248 1 20 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.139 1.895 17824 8249 1 20 . 1 1 54 54 ILE H H 54 6.626 6.626 8.778 -2.152 17824 8250 1 20 . 1 1 55 55 GLU N N 55 123.451 123.451 119.865 3.586 17824 8251 1 20 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.221 -0.067 17824 8252 1 20 . 1 1 55 55 GLU C C 55 179.075 179.075 178.788 0.287 17824 8253 1 20 . 1 1 55 55 GLU CA C 55 59.781 59.781 59.355 0.426 17824 8254 1 20 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.550 0.914 17824 8255 1 20 . 1 1 55 55 GLU H H 55 7.642 7.642 8.545 -0.903 17824 8256 1 20 . 1 1 56 56 CYS N N 56 124.445 124.445 117.070 7.375 17824 8257 1 20 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.202 -0.214 17824 8258 1 20 . 1 1 56 56 CYS C C 56 178.290 178.290 177.315 0.975 17824 8259 1 20 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.382 2.596 17824 8260 1 20 . 1 1 56 56 CYS CB C 56 29.652 29.652 25.959 3.693 17824 8261 1 20 . 1 1 56 56 CYS H H 56 8.676 8.676 8.254 0.422 17824 8262 1 20 . 1 1 57 57 GLN N N 57 117.736 117.736 120.305 -2.569 17824 8263 1 20 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.009 -0.117 17824 8264 1 20 . 1 1 57 57 GLN C C 57 177.428 177.428 177.256 0.172 17824 8265 1 20 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.580 0.292 17824 8266 1 20 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.962 0.866 17824 8267 1 20 . 1 1 57 57 GLN H H 57 8.419 8.419 8.397 0.022 17824 8268 1 20 . 1 1 58 58 ALA N N 58 119.578 119.578 121.143 -1.565 17824 8269 1 20 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.067 0.210 17824 8270 1 20 . 1 1 58 58 ALA C C 58 178.087 178.087 178.752 -0.665 17824 8271 1 20 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.963 -0.441 17824 8272 1 20 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.611 0.406 17824 8273 1 20 . 1 1 58 58 ALA H H 58 7.335 7.335 7.634 -0.299 17824 8274 1 20 . 1 1 59 59 ASN N N 59 116.209 116.209 116.875 -0.666 17824 8275 1 20 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.459 0.359 17824 8276 1 20 . 1 1 59 59 ASN C C 59 175.372 175.372 175.575 -0.203 17824 8277 1 20 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.544 -1.886 17824 8278 1 20 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.314 -0.205 17824 8279 1 20 . 1 1 59 59 ASN H H 59 7.617 7.617 8.326 -0.709 17824 8280 1 20 . 1 1 60 60 GLN N N 60 120.078 120.078 117.965 2.113 17824 8281 1 20 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.952 0.260 17824 8282 1 20 . 1 1 60 60 GLN C C 60 176.218 176.218 173.887 2.331 17824 8283 1 20 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.013 1.297 17824 8284 1 20 . 1 1 60 60 GLN CB C 60 28.650 28.650 27.844 0.806 17824 8285 1 20 . 1 1 60 60 GLN H H 60 8.116 8.116 7.940 0.176 17824 8286 1 20 . 1 1 61 61 ALA N N 61 122.298 122.298 126.693 -4.395 17824 8287 1 20 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.275 0.043 17824 8288 1 20 . 1 1 61 61 ALA C C 61 177.964 177.964 178.213 -0.249 17824 8289 1 20 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.342 1.098 17824 8290 1 20 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.652 -1.000 17824 8291 1 20 . 1 1 61 61 ALA H H 61 8.345 8.345 7.912 0.433 17824 8292 1 20 . 1 1 62 62 SER N N 62 113.232 113.232 118.212 -4.980 17824 8293 1 20 . 1 1 62 62 SER HA H 62 4.454 4.454 4.216 0.238 17824 8294 1 20 . 1 1 62 62 SER C C 62 174.747 174.747 175.403 -0.656 17824 8295 1 20 . 1 1 62 62 SER CA C 62 58.197 58.197 60.477 -2.280 17824 8296 1 20 . 1 1 62 62 SER CB C 62 63.906 63.906 62.875 1.031 17824 8297 1 20 . 1 1 62 62 SER H H 62 8.011 8.011 8.953 -0.942 17824 8298 1 20 . 1 1 63 63 ALA N N 63 125.573 125.573 124.500 1.073 17824 8299 1 20 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.284 -0.101 17824 8300 1 20 . 1 1 63 63 ALA C C 63 178.091 178.091 176.626 1.465 17824 8301 1 20 . 1 1 63 63 ALA CA C 63 53.006 53.006 53.344 -0.338 17824 8302 1 20 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.214 -0.458 17824 8303 1 20 . 1 1 63 63 ALA H H 63 8.323 8.323 8.148 0.175 17824 8304 1 20 . 1 1 64 64 THR N N 64 111.006 111.006 110.820 0.186 17824 8305 1 20 . 1 1 64 64 THR HA H 64 4.495 4.495 4.578 -0.083 17824 8306 1 20 . 1 1 64 64 THR C C 64 175.346 175.346 173.446 1.900 17824 8307 1 20 . 1 1 64 64 THR CA C 64 61.903 61.903 61.773 0.130 17824 8308 1 20 . 1 1 64 64 THR CB C 64 69.903 69.903 72.222 -2.319 17824 8309 1 20 . 1 1 64 64 THR H H 64 8.071 8.071 7.395 0.676 17824 8310 1 20 . 1 1 65 65 SER N N 65 118.037 118.037 118.093 -0.056 17824 8311 1 20 . 1 1 65 65 SER HA H 65 4.524 4.524 4.567 -0.043 17824 8312 1 20 . 1 1 65 65 SER C C 65 175.131 175.131 174.990 0.141 17824 8313 1 20 . 1 1 65 65 SER CA C 65 59.795 59.795 59.498 0.297 17824 8314 1 20 . 1 1 65 65 SER CB C 65 63.833 63.833 63.761 0.072 17824 8315 1 20 . 1 1 65 65 SER H H 65 8.328 8.328 8.752 -0.424 17824 8316 1 20 . 1 1 66 66 GLU N N 66 121.505 121.505 121.327 0.178 17824 8317 1 20 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.148 0.166 17824 8318 1 20 . 1 1 66 66 GLU C C 66 176.394 176.394 175.412 0.982 17824 8319 1 20 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.666 -1.671 17824 8320 1 20 . 1 1 66 66 GLU CB C 66 30.310 30.310 29.876 0.434 17824 8321 1 20 . 1 1 66 66 GLU H H 66 8.368 8.368 8.642 -0.274 17824 8322 1 20 . 1 1 67 67 GLU N N 67 119.409 119.409 113.539 5.870 17824 8323 1 20 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.737 -0.446 17824 8324 1 20 . 1 1 67 67 GLU C C 67 175.079 175.079 175.106 -0.027 17824 8325 1 20 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.873 1.607 17824 8326 1 20 . 1 1 67 67 GLU CB C 67 29.931 29.931 31.286 -1.355 17824 8327 1 20 . 1 1 67 67 GLU H H 67 8.074 8.074 7.888 0.186 17824 8328 1 20 . 1 1 68 68 CYS N N 68 126.937 126.937 122.669 4.268 17824 8329 1 20 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.912 -0.624 17824 8330 1 20 . 1 1 68 68 CYS C C 68 174.423 174.423 174.250 0.173 17824 8331 1 20 . 1 1 68 68 CYS CA C 68 59.809 59.809 59.561 0.248 17824 8332 1 20 . 1 1 68 68 CYS CB C 68 28.670 28.670 29.294 -0.624 17824 8333 1 20 . 1 1 68 68 CYS H H 68 8.340 8.340 8.366 -0.026 17824 8334 1 20 . 1 1 69 69 THR N N 69 116.442 116.442 110.073 6.369 17824 8335 1 20 . 1 1 69 69 THR HA H 69 4.891 4.891 4.927 -0.036 17824 8336 1 20 . 1 1 69 69 THR C C 69 175.561 175.561 173.029 2.532 17824 8337 1 20 . 1 1 69 69 THR CA C 69 60.817 60.817 60.760 0.057 17824 8338 1 20 . 1 1 69 69 THR CB C 69 71.654 71.654 71.942 -0.288 17824 8339 1 20 . 1 1 69 69 THR H H 69 7.497 7.497 7.922 -0.425 17824 8340 1 20 . 1 1 70 70 VAL N N 70 123.637 123.637 122.769 0.868 17824 8341 1 20 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.745 -0.410 17824 8342 1 20 . 1 1 70 70 VAL C C 70 174.368 174.368 172.514 1.854 17824 8343 1 20 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.568 2.374 17824 8344 1 20 . 1 1 70 70 VAL CB C 70 33.897 33.897 36.362 -2.465 17824 8345 1 20 . 1 1 70 70 VAL H H 70 8.862 8.862 9.166 -0.304 17824 8346 1 20 . 1 1 71 71 ALA N N 71 128.540 128.540 128.388 0.152 17824 8347 1 20 . 1 1 71 71 ALA HA H 71 5.286 5.286 5.161 0.125 17824 8348 1 20 . 1 1 71 71 ALA C C 71 174.520 174.520 175.488 -0.968 17824 8349 1 20 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.519 0.253 17824 8350 1 20 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.853 1.122 17824 8351 1 20 . 1 1 71 71 ALA H H 71 9.247 9.247 9.081 0.166 17824 8352 1 20 . 1 1 72 72 TRP N N 72 120.167 120.167 122.705 -2.538 17824 8353 1 20 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.326 0.094 17824 8354 1 20 . 1 1 72 72 TRP C C 72 177.182 177.182 176.850 0.332 17824 8355 1 20 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.295 1.468 17824 8356 1 20 . 1 1 72 72 TRP CB C 72 32.630 32.630 32.005 0.625 17824 8357 1 20 . 1 1 72 72 TRP H H 72 9.065 9.065 9.286 -0.221 17824 8358 1 20 . 1 1 73 73 GLY N N 73 110.755 110.755 108.584 2.171 17824 8359 1 20 . 1 1 73 73 GLY C C 73 177.914 177.914 174.616 3.298 17824 8360 1 20 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.404 0.763 17824 8361 1 20 . 1 1 73 73 GLY H H 73 9.128 9.128 9.498 -0.370 17824 8362 1 20 . 1 1 74 74 VAL N N 74 122.747 122.747 124.732 -1.985 17824 8363 1 20 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.743 0.093 17824 8364 1 20 . 1 1 74 74 VAL C C 74 176.014 176.014 176.776 -0.762 17824 8365 1 20 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.264 -0.271 17824 8366 1 20 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.782 -0.062 17824 8367 1 20 . 1 1 74 74 VAL H H 74 8.299 8.299 8.144 0.155 17824 8368 1 20 . 1 1 75 75 CYS N N 75 116.720 116.720 115.439 1.281 17824 8369 1 20 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.369 -0.074 17824 8370 1 20 . 1 1 75 75 CYS C C 75 174.359 174.359 175.458 -1.099 17824 8371 1 20 . 1 1 75 75 CYS CA C 75 58.217 58.217 57.726 0.491 17824 8372 1 20 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.585 4.116 17824 8373 1 20 . 1 1 75 75 CYS H H 75 7.567 7.567 8.023 -0.456 17824 8374 1 20 . 1 1 76 76 ASN N N 76 114.522 114.522 118.124 -3.602 17824 8375 1 20 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.183 0.251 17824 8376 1 20 . 1 1 76 76 ASN C C 76 173.726 173.726 173.145 0.581 17824 8377 1 20 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.182 1.470 17824 8378 1 20 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.607 0.341 17824 8379 1 20 . 1 1 76 76 ASN H H 76 8.060 8.060 7.868 0.192 17824 8380 1 20 . 1 1 77 77 HIS N N 77 117.754 117.754 115.742 2.012 17824 8381 1 20 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.785 -0.068 17824 8382 1 20 . 1 1 77 77 HIS C C 77 172.650 172.650 173.253 -0.603 17824 8383 1 20 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.499 3.327 17824 8384 1 20 . 1 1 77 77 HIS CB C 77 32.889 32.889 33.370 -0.481 17824 8385 1 20 . 1 1 77 77 HIS H H 77 7.797 7.797 7.608 0.189 17824 8386 1 20 . 1 1 78 78 ALA N N 78 122.889 122.889 122.589 0.300 17824 8387 1 20 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.466 -0.517 17824 8388 1 20 . 1 1 78 78 ALA C C 78 174.873 174.873 175.034 -0.161 17824 8389 1 20 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.486 -1.957 17824 8390 1 20 . 1 1 78 78 ALA CB C 78 20.077 20.077 22.070 -1.993 17824 8391 1 20 . 1 1 78 78 ALA H H 78 7.811 7.811 8.268 -0.457 17824 8392 1 20 . 1 1 79 79 PHE N N 79 113.618 113.618 119.974 -6.356 17824 8393 1 20 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.739 -0.040 17824 8394 1 20 . 1 1 79 79 PHE C C 79 176.138 176.138 174.537 1.601 17824 8395 1 20 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.934 -1.585 17824 8396 1 20 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.226 2.360 17824 8397 1 20 . 1 1 79 79 PHE H H 79 8.377 8.377 9.007 -0.630 17824 8398 1 20 . 1 1 80 80 HIS N N 80 118.823 118.823 120.117 -1.294 17824 8399 1 20 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.848 -0.019 17824 8400 1 20 . 1 1 80 80 HIS C C 80 177.268 177.268 176.486 0.782 17824 8401 1 20 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.096 4.853 17824 8402 1 20 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.798 -1.063 17824 8403 1 20 . 1 1 80 80 HIS H H 80 8.429 8.429 8.411 0.018 17824 8404 1 20 . 1 1 81 81 PHE N N 81 129.040 129.040 126.139 2.901 17824 8405 1 20 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.215 0.124 17824 8406 1 20 . 1 1 81 81 PHE C C 81 178.911 178.911 176.736 2.175 17824 8407 1 20 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.146 -0.308 17824 8408 1 20 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.462 -0.405 17824 8409 1 20 . 1 1 81 81 PHE H H 81 9.881 9.881 8.497 1.384 17824 8410 1 20 . 1 1 82 82 HIS N N 82 120.611 120.611 118.957 1.654 17824 8411 1 20 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.012 0.274 17824 8412 1 20 . 1 1 82 82 HIS C C 82 177.694 177.694 177.246 0.448 17824 8413 1 20 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.939 -1.035 17824 8414 1 20 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.890 2.943 17824 8415 1 20 . 1 1 82 82 HIS H H 82 10.457 10.457 8.578 1.879 17824 8416 1 20 . 1 1 83 83 CYS N N 83 117.628 117.628 117.644 -0.016 17824 8417 1 20 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.046 0.108 17824 8418 1 20 . 1 1 83 83 CYS C C 83 177.768 177.768 177.034 0.734 17824 8419 1 20 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.380 0.588 17824 8420 1 20 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.209 2.695 17824 8421 1 20 . 1 1 83 83 CYS H H 83 6.933 6.933 8.422 -1.489 17824 8422 1 20 . 1 1 84 84 ILE N N 84 119.139 119.139 120.467 -1.328 17824 8423 1 20 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.412 0.430 17824 8424 1 20 . 1 1 84 84 ILE C C 84 175.705 175.705 177.060 -1.355 17824 8425 1 20 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.489 -3.612 17824 8426 1 20 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.637 0.440 17824 8427 1 20 . 1 1 84 84 ILE H H 84 8.290 8.290 8.761 -0.471 17824 8428 1 20 . 1 1 85 85 SER N N 85 118.224 118.224 116.689 1.535 17824 8429 1 20 . 1 1 85 85 SER HA H 85 3.995 3.995 3.871 0.124 17824 8430 1 20 . 1 1 85 85 SER C C 85 176.097 176.097 176.346 -0.249 17824 8431 1 20 . 1 1 85 85 SER CA C 85 62.841 62.841 62.543 0.298 17824 8432 1 20 . 1 1 85 85 SER CB C 85 62.009 62.009 62.486 -0.477 17824 8433 1 20 . 1 1 85 85 SER H H 85 8.157 8.157 8.254 -0.097 17824 8434 1 20 . 1 1 86 86 ARG N N 86 120.496 120.496 121.398 -0.902 17824 8435 1 20 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.041 -0.017 17824 8436 1 20 . 1 1 86 86 ARG C C 86 179.382 179.382 178.275 1.107 17824 8437 1 20 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.496 1.369 17824 8438 1 20 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.639 0.221 17824 8439 1 20 . 1 1 86 86 ARG H H 86 7.174 7.174 7.829 -0.655 17824 8440 1 20 . 1 1 87 87 TRP N N 87 123.951 123.951 122.383 1.568 17824 8441 1 20 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.285 -0.126 17824 8442 1 20 . 1 1 87 87 TRP C C 87 177.572 177.572 178.415 -0.843 17824 8443 1 20 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.353 0.571 17824 8444 1 20 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.265 -0.019 17824 8445 1 20 . 1 1 87 87 TRP H H 87 7.981 7.981 8.262 -0.281 17824 8446 1 20 . 1 1 88 88 LEU N N 88 116.707 116.707 117.632 -0.925 17824 8447 1 20 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.223 0.540 17824 8448 1 20 . 1 1 88 88 LEU C C 88 178.008 178.008 178.728 -0.720 17824 8449 1 20 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.562 -0.834 17824 8450 1 20 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.669 0.527 17824 8451 1 20 . 1 1 88 88 LEU H H 88 8.246 8.246 8.244 0.002 17824 8452 1 20 . 1 1 89 89 LYS N N 89 117.240 117.240 118.703 -1.463 17824 8453 1 20 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.028 0.053 17824 8454 1 20 . 1 1 89 89 LYS C C 89 178.385 178.385 177.862 0.523 17824 8455 1 20 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.917 -0.006 17824 8456 1 20 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.633 -0.329 17824 8457 1 20 . 1 1 89 89 LYS H H 89 7.309 7.309 7.779 -0.470 17824 8458 1 20 . 1 1 90 90 THR N N 90 106.446 106.446 108.106 -1.660 17824 8459 1 20 . 1 1 90 90 THR HA H 90 4.383 4.383 4.179 0.204 17824 8460 1 20 . 1 1 90 90 THR C C 90 173.919 173.919 175.133 -1.214 17824 8461 1 20 . 1 1 90 90 THR CA C 90 62.069 62.069 63.195 -1.126 17824 8462 1 20 . 1 1 90 90 THR CB C 90 70.133 70.133 70.051 0.082 17824 8463 1 20 . 1 1 90 90 THR H H 90 7.452 7.452 7.415 0.037 17824 8464 1 20 . 1 1 91 91 ARG N N 91 121.616 121.616 120.542 1.074 17824 8465 1 20 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.442 -0.037 17824 8466 1 20 . 1 1 91 91 ARG C C 91 174.754 174.754 175.463 -0.709 17824 8467 1 20 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.877 0.956 17824 8468 1 20 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.349 1.536 17824 8469 1 20 . 1 1 91 91 ARG H H 91 7.426 7.426 7.790 -0.364 17824 8470 1 20 . 1 1 92 92 GLN N N 92 118.161 118.161 120.187 -2.026 17824 8471 1 20 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.316 0.392 17824 8472 1 20 . 1 1 92 92 GLN C C 92 176.437 176.437 174.902 1.535 17824 8473 1 20 . 1 1 92 92 GLN CA C 92 55.783 55.783 57.453 -1.670 17824 8474 1 20 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.907 -0.949 17824 8475 1 20 . 1 1 92 92 GLN H H 92 8.526 8.526 8.642 -0.116 17824 8476 1 20 . 1 1 93 93 VAL N N 93 109.557 109.557 112.010 -2.453 17824 8477 1 20 . 1 1 93 93 VAL HA H 93 5.065 5.065 4.989 0.076 17824 8478 1 20 . 1 1 93 93 VAL C C 93 174.806 174.806 175.246 -0.440 17824 8479 1 20 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.185 -0.837 17824 8480 1 20 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.505 0.803 17824 8481 1 20 . 1 1 93 93 VAL H H 93 7.083 7.083 7.161 -0.078 17824 8482 1 20 . 1 1 94 94 CYS N N 94 123.889 123.889 122.089 1.800 17824 8483 1 20 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.549 -0.045 17824 8484 1 20 . 1 1 94 94 CYS CA C 94 56.860 56.860 61.131 -4.271 17824 8485 1 20 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.563 4.202 17824 8486 1 20 . 1 1 94 94 CYS H H 94 9.020 9.020 9.229 -0.209 17824 8487 1 20 . 1 1 95 95 PRO HA H 95 4.080 4.080 3.806 0.274 17824 8488 1 20 . 1 1 95 95 PRO C C 95 177.037 177.037 175.883 1.154 17824 8489 1 20 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.811 -0.813 17824 8490 1 20 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.738 0.924 17824 8491 1 20 . 1 1 96 96 LEU N N 96 118.497 118.497 117.089 1.408 17824 8492 1 20 . 1 1 96 96 LEU HA H 96 4.316 4.316 3.833 0.483 17824 8493 1 20 . 1 1 96 96 LEU C C 96 177.797 177.797 177.697 0.100 17824 8494 1 20 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.769 -0.957 17824 8495 1 20 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.428 1.646 17824 8496 1 20 . 1 1 96 96 LEU H H 96 8.798 8.798 7.493 1.305 17824 8497 1 20 . 1 1 97 97 ASP N N 97 114.958 114.958 118.466 -3.508 17824 8498 1 20 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.573 0.379 17824 8499 1 20 . 1 1 97 97 ASP C C 97 175.946 175.946 176.444 -0.498 17824 8500 1 20 . 1 1 97 97 ASP CA C 97 54.712 54.712 55.286 -0.574 17824 8501 1 20 . 1 1 97 97 ASP CB C 97 43.183 43.183 40.803 2.380 17824 8502 1 20 . 1 1 97 97 ASP H H 97 7.396 7.396 8.118 -0.722 17824 8503 1 20 . 1 1 98 98 ASN N N 98 115.407 115.407 114.405 1.002 17824 8504 1 20 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.426 -0.002 17824 8505 1 20 . 1 1 98 98 ASN C C 98 173.934 173.934 174.284 -0.350 17824 8506 1 20 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.112 1.190 17824 8507 1 20 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.406 1.590 17824 8508 1 20 . 1 1 98 98 ASN H H 98 8.332 8.332 7.955 0.377 17824 8509 1 20 . 1 1 99 99 ARG N N 99 119.005 119.005 120.241 -1.236 17824 8510 1 20 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.630 -0.158 17824 8511 1 20 . 1 1 99 99 ARG C C 99 176.631 176.631 174.607 2.024 17824 8512 1 20 . 1 1 99 99 ARG CA C 99 55.821 55.821 55.089 0.732 17824 8513 1 20 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.284 -1.314 17824 8514 1 20 . 1 1 99 99 ARG H H 99 8.825 8.825 8.169 0.656 17824 8515 1 20 . 1 1 100 100 GLU N N 100 122.676 122.676 125.082 -2.406 17824 8516 1 20 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.275 -0.125 17824 8517 1 20 . 1 1 100 100 GLU C C 100 176.647 176.647 175.501 1.146 17824 8518 1 20 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.161 1.187 17824 8519 1 20 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.363 -0.629 17824 8520 1 20 . 1 1 100 100 GLU H H 100 8.869 8.869 8.701 0.168 17824 8521 1 20 . 1 1 101 101 TRP N N 101 126.288 126.288 129.847 -3.559 17824 8522 1 20 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.593 0.010 17824 8523 1 20 . 1 1 101 101 TRP C C 101 175.786 175.786 175.205 0.581 17824 8524 1 20 . 1 1 101 101 TRP CA C 101 57.935 57.935 58.031 -0.096 17824 8525 1 20 . 1 1 101 101 TRP CB C 101 29.758 29.758 29.984 -0.226 17824 8526 1 20 . 1 1 101 101 TRP H H 101 8.437 8.437 7.958 0.479 17824 8527 1 20 . 1 1 102 102 GLU N N 102 127.912 127.912 124.667 3.245 17824 8528 1 20 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.253 0.019 17824 8529 1 20 . 1 1 102 102 GLU C C 102 174.791 174.791 174.718 0.073 17824 8530 1 20 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.062 0.662 17824 8531 1 20 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.271 -0.016 17824 8532 1 20 . 1 1 102 102 GLU H H 102 7.319 7.319 7.542 -0.223 17824 8533 1 20 . 1 1 103 103 PHE N N 103 122.445 122.445 122.951 -0.506 17824 8534 1 20 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.828 -0.460 17824 8535 1 20 . 1 1 103 103 PHE C C 103 176.419 176.419 176.327 0.092 17824 8536 1 20 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.458 1.612 17824 8537 1 20 . 1 1 103 103 PHE CB C 103 39.874 39.874 38.944 0.930 17824 8538 1 20 . 1 1 103 103 PHE H H 103 8.827 8.827 8.813 0.014 17824 8539 1 20 . 1 1 104 104 GLN N N 104 122.896 122.896 126.276 -3.380 17824 8540 1 20 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.263 0.023 17824 8541 1 20 . 1 1 104 104 GLN C C 104 175.487 175.487 176.020 -0.533 17824 8542 1 20 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.828 -1.558 17824 8543 1 20 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.296 0.250 17824 8544 1 20 . 1 1 104 104 GLN H H 104 9.119 9.119 8.977 0.142 17824 8545 1 20 . 1 1 105 105 LYS N N 105 121.917 121.917 114.230 7.687 17824 8546 1 20 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.498 -0.062 17824 8547 1 20 . 1 1 105 105 LYS C C 105 175.219 175.219 173.993 1.226 17824 8548 1 20 . 1 1 105 105 LYS CA C 105 56.282 56.282 56.425 -0.142 17824 8549 1 20 . 1 1 105 105 LYS CB C 105 33.804 33.804 35.237 -1.433 17824 8550 1 20 . 1 1 105 105 LYS H H 105 8.308 8.308 7.782 0.526 17824 8551 1 20 . 1 1 106 106 TYR N N 106 121.451 121.451 119.739 1.712 17824 8552 1 20 . 1 1 106 106 TYR HA H 106 4.814 4.814 5.278 -0.464 17824 8553 1 20 . 1 1 106 106 TYR C C 106 176.017 176.017 174.252 1.765 17824 8554 1 20 . 1 1 106 106 TYR CA C 106 57.828 57.828 56.101 1.727 17824 8555 1 20 . 1 1 106 106 TYR CB C 106 39.606 39.606 41.442 -1.836 17824 8556 1 20 . 1 1 106 106 TYR H H 106 8.431 8.431 8.064 0.367 17824 8557 1 20 . 1 1 107 107 GLY N N 107 110.965 110.965 109.182 1.783 17824 8558 1 20 . 1 1 107 107 GLY C C 107 172.723 172.723 172.630 0.093 17824 8559 1 20 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.672 0.610 17824 8560 1 20 . 1 1 107 107 GLY H H 107 8.395 8.395 9.050 -0.655 17824 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 71 2.964 -0.271 2.972 17824 2 1 1 "Average Difference" HA 75 0.263 0.023 0.263 17824 3 1 1 "Average Difference" C 71 1.121 -0.327 1.079 17824 4 1 1 "Average Difference" CA 73 1.471 -0.119 1.476 17824 5 1 1 "Average Difference" CB 71 1.636 -0.419 1.593 17824 6 1 1 "Average Difference" HN 71 0.585 -0.000 0.590 17824 7 1 2 "Average Difference" N 71 3.029 -0.386 3.026 17824 8 1 2 "Average Difference" HA 75 0.282 0.051 0.279 17824 9 1 2 "Average Difference" C 71 1.091 -0.406 1.020 17824 10 1 2 "Average Difference" CA 73 1.508 -0.192 1.506 17824 11 1 2 "Average Difference" CB 71 1.702 -0.389 1.668 17824 12 1 2 "Average Difference" HN 71 0.592 0.031 0.595 17824 13 1 3 "Average Difference" N 71 3.152 -0.482 3.137 17824 14 1 3 "Average Difference" HA 75 0.275 0.016 0.277 17824 15 1 3 "Average Difference" C 71 1.114 -0.310 1.077 17824 16 1 3 "Average Difference" CA 73 1.547 0.042 1.557 17824 17 1 3 "Average Difference" CB 71 1.605 -0.622 1.490 17824 18 1 3 "Average Difference" HN 71 0.592 0.025 0.596 17824 19 1 4 "Average Difference" N 71 3.042 -0.113 3.062 17824 20 1 4 "Average Difference" HA 75 0.299 0.040 0.298 17824 21 1 4 "Average Difference" C 71 1.084 -0.371 1.025 17824 22 1 4 "Average Difference" CA 73 1.499 -0.196 1.497 17824 23 1 4 "Average Difference" CB 71 1.607 -0.402 1.567 17824 24 1 4 "Average Difference" HN 71 0.596 0.046 0.598 17824 25 1 5 "Average Difference" N 71 3.047 -0.386 3.044 17824 26 1 5 "Average Difference" HA 75 0.276 -0.004 0.278 17824 27 1 5 "Average Difference" C 71 1.095 -0.349 1.045 17824 28 1 5 "Average Difference" CA 73 1.582 -0.072 1.592 17824 29 1 5 "Average Difference" CB 71 1.635 -0.514 1.563 17824 30 1 5 "Average Difference" HN 71 0.584 -0.020 0.588 17824 31 1 6 "Average Difference" N 71 3.048 -0.129 3.067 17824 32 1 6 "Average Difference" HA 75 0.267 0.025 0.268 17824 33 1 6 "Average Difference" C 71 1.130 -0.385 1.070 17824 34 1 6 "Average Difference" CA 73 1.557 -0.150 1.560 17824 35 1 6 "Average Difference" CB 71 1.693 -0.390 1.659 17824 36 1 6 "Average Difference" HN 71 0.585 0.024 0.589 17824 37 1 7 "Average Difference" N 71 2.909 -0.219 2.921 17824 38 1 7 "Average Difference" HA 75 0.293 0.014 0.295 17824 39 1 7 "Average Difference" C 71 1.161 -0.386 1.103 17824 40 1 7 "Average Difference" CA 73 1.483 -0.144 1.487 17824 41 1 7 "Average Difference" CB 71 1.693 -0.431 1.648 17824 42 1 7 "Average Difference" HN 71 0.621 0.006 0.625 17824 43 1 8 "Average Difference" N 71 2.901 -0.060 2.921 17824 44 1 8 "Average Difference" HA 75 0.279 -0.004 0.281 17824 45 1 8 "Average Difference" C 71 1.105 -0.383 1.044 17824 46 1 8 "Average Difference" CA 73 1.523 -0.166 1.525 17824 47 1 8 "Average Difference" CB 71 1.760 -0.403 1.725 17824 48 1 8 "Average Difference" HN 71 0.591 0.018 0.594 17824 49 1 9 "Average Difference" N 71 3.117 -0.488 3.100 17824 50 1 9 "Average Difference" HA 75 0.274 0.036 0.274 17824 51 1 9 "Average Difference" C 71 1.116 -0.343 1.069 17824 52 1 9 "Average Difference" CA 73 1.591 -0.096 1.600 17824 53 1 9 "Average Difference" CB 71 1.571 -0.443 1.518 17824 54 1 9 "Average Difference" HN 71 0.598 0.034 0.602 17824 55 1 10 "Average Difference" N 71 3.287 0.067 3.310 17824 56 1 10 "Average Difference" HA 75 0.253 0.021 0.254 17824 57 1 10 "Average Difference" C 71 1.176 -0.479 1.082 17824 58 1 10 "Average Difference" CA 73 1.523 -0.124 1.529 17824 59 1 10 "Average Difference" CB 71 1.603 -0.416 1.559 17824 60 1 10 "Average Difference" HN 71 0.602 0.013 0.606 17824 61 1 11 "Average Difference" N 71 2.849 -0.601 2.805 17824 62 1 11 "Average Difference" HA 75 0.259 0.023 0.259 17824 63 1 11 "Average Difference" C 71 1.134 -0.399 1.069 17824 64 1 11 "Average Difference" CA 73 1.483 -0.197 1.480 17824 65 1 11 "Average Difference" CB 71 1.587 -0.471 1.526 17824 66 1 11 "Average Difference" HN 71 0.585 -0.010 0.589 17824 67 1 12 "Average Difference" N 71 3.159 -0.382 3.158 17824 68 1 12 "Average Difference" HA 75 0.281 0.016 0.282 17824 69 1 12 "Average Difference" C 71 1.042 -0.339 0.993 17824 70 1 12 "Average Difference" CA 73 1.570 -0.025 1.581 17824 71 1 12 "Average Difference" CB 71 1.717 -0.511 1.651 17824 72 1 12 "Average Difference" HN 71 0.609 0.021 0.613 17824 73 1 13 "Average Difference" N 71 3.030 -0.289 3.038 17824 74 1 13 "Average Difference" HA 75 0.283 0.063 0.278 17824 75 1 13 "Average Difference" C 71 1.181 -0.433 1.107 17824 76 1 13 "Average Difference" CA 73 1.545 -0.161 1.547 17824 77 1 13 "Average Difference" CB 71 1.699 -0.395 1.664 17824 78 1 13 "Average Difference" HN 71 0.594 0.034 0.597 17824 79 1 14 "Average Difference" N 71 3.093 -0.275 3.102 17824 80 1 14 "Average Difference" HA 75 0.271 0.010 0.272 17824 81 1 14 "Average Difference" C 71 1.167 -0.366 1.116 17824 82 1 14 "Average Difference" CA 73 1.517 -0.099 1.524 17824 83 1 14 "Average Difference" CB 71 1.747 -0.559 1.668 17824 84 1 14 "Average Difference" HN 71 0.609 -0.010 0.613 17824 85 1 15 "Average Difference" N 71 2.831 -0.270 2.838 17824 86 1 15 "Average Difference" HA 75 0.276 0.007 0.277 17824 87 1 15 "Average Difference" C 71 1.090 -0.367 1.034 17824 88 1 15 "Average Difference" CA 73 1.577 -0.091 1.585 17824 89 1 15 "Average Difference" CB 71 1.681 -0.403 1.643 17824 90 1 15 "Average Difference" HN 71 0.585 0.008 0.589 17824 91 1 16 "Average Difference" N 71 3.113 -0.080 3.134 17824 92 1 16 "Average Difference" HA 75 0.301 0.005 0.303 17824 93 1 16 "Average Difference" C 71 1.092 -0.352 1.042 17824 94 1 16 "Average Difference" CA 73 1.521 -0.119 1.526 17824 95 1 16 "Average Difference" CB 71 1.573 -0.439 1.522 17824 96 1 16 "Average Difference" HN 71 0.591 0.011 0.595 17824 97 1 17 "Average Difference" N 71 3.197 -0.295 3.206 17824 98 1 17 "Average Difference" HA 75 0.269 0.022 0.270 17824 99 1 17 "Average Difference" C 71 1.154 -0.463 1.064 17824 100 1 17 "Average Difference" CA 73 1.553 -0.102 1.561 17824 101 1 17 "Average Difference" CB 71 1.649 -0.353 1.622 17824 102 1 17 "Average Difference" HN 71 0.598 0.055 0.600 17824 103 1 18 "Average Difference" N 71 3.252 -0.412 3.248 17824 104 1 18 "Average Difference" HA 75 0.293 -0.012 0.295 17824 105 1 18 "Average Difference" C 71 1.099 -0.407 1.028 17824 106 1 18 "Average Difference" CA 73 1.533 -0.058 1.543 17824 107 1 18 "Average Difference" CB 71 1.650 -0.429 1.605 17824 108 1 18 "Average Difference" HN 71 0.574 -0.013 0.578 17824 109 1 19 "Average Difference" N 71 3.037 -0.337 3.040 17824 110 1 19 "Average Difference" HA 75 0.277 0.014 0.278 17824 111 1 19 "Average Difference" C 71 1.175 -0.403 1.111 17824 112 1 19 "Average Difference" CA 73 1.531 -0.132 1.536 17824 113 1 19 "Average Difference" CB 71 1.588 -0.436 1.538 17824 114 1 19 "Average Difference" HN 71 0.624 -0.033 0.628 17824 115 1 20 "Average Difference" N 71 2.946 -0.457 2.931 17824 116 1 20 "Average Difference" HA 75 0.286 0.036 0.286 17824 117 1 20 "Average Difference" C 71 1.131 -0.393 1.068 17824 118 1 20 "Average Difference" CA 73 1.586 -0.065 1.596 17824 119 1 20 "Average Difference" CB 71 1.615 -0.366 1.584 17824 120 1 20 "Average Difference" HN 71 0.600 0.040 0.603 17824 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 17824 _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 35 35 TRP N N 35 118.681 118.681 122.255 -3.574 17824 2 1 . 1 1 35 35 TRP HA H 35 4.643 4.643 4.729 -0.086 17824 3 1 . 1 1 35 35 TRP C C 35 175.833 175.833 175.242 0.591 17824 4 1 . 1 1 35 35 TRP CA C 35 56.900 56.900 56.695 0.205 17824 5 1 . 1 1 35 35 TRP CB C 35 29.375 29.375 30.419 -1.044 17824 6 1 . 1 1 35 35 TRP H H 35 7.831 7.831 8.306 -0.475 17824 7 1 . 1 1 36 36 ASP N N 36 121.178 121.178 121.553 -0.375 17824 8 1 . 1 1 36 36 ASP HA H 36 4.574 4.574 4.724 -0.150 17824 9 1 . 1 1 36 36 ASP C C 36 175.821 175.821 175.818 0.003 17824 10 1 . 1 1 36 36 ASP CA C 36 54.622 54.622 53.782 0.840 17824 11 1 . 1 1 36 36 ASP CB C 36 41.150 41.150 42.412 -1.262 17824 12 1 . 1 1 36 36 ASP H H 36 8.111 8.111 8.261 -0.150 17824 13 1 . 1 1 37 37 ILE N N 37 120.177 120.177 117.978 2.199 17824 14 1 . 1 1 37 37 ILE HA H 37 4.156 4.156 4.312 -0.156 17824 15 1 . 1 1 37 37 ILE C C 37 175.817 175.817 175.139 0.678 17824 16 1 . 1 1 37 37 ILE CA C 37 61.638 61.638 60.769 0.869 17824 17 1 . 1 1 37 37 ILE CB C 37 39.034 39.034 38.595 0.439 17824 18 1 . 1 1 37 37 ILE H H 37 7.820 7.820 8.013 -0.193 17824 19 1 . 1 1 38 38 VAL N N 38 124.844 124.844 123.271 1.573 17824 20 1 . 1 1 38 38 VAL HA H 38 4.160 4.160 4.210 -0.050 17824 21 1 . 1 1 38 38 VAL C C 38 176.102 176.102 176.452 -0.349 17824 22 1 . 1 1 38 38 VAL CA C 38 62.055 62.055 61.791 0.264 17824 23 1 . 1 1 38 38 VAL CB C 38 32.764 32.764 33.603 -0.839 17824 24 1 . 1 1 38 38 VAL H H 38 8.203 8.203 7.958 0.245 17824 25 1 . 1 1 39 39 VAL N N 39 123.813 123.813 123.143 0.670 17824 26 1 . 1 1 39 39 VAL HA H 39 4.138 4.138 3.951 0.187 17824 27 1 . 1 1 39 39 VAL C C 39 174.919 174.919 175.529 -0.610 17824 28 1 . 1 1 39 39 VAL CA C 39 62.605 62.605 62.897 -0.292 17824 29 1 . 1 1 39 39 VAL CB C 39 32.825 32.825 31.549 1.276 17824 30 1 . 1 1 39 39 VAL H H 39 8.163 8.163 8.550 -0.387 17824 31 1 . 1 1 40 40 ASP N N 40 122.074 122.074 118.091 3.983 17824 32 1 . 1 1 40 40 ASP HA H 40 4.468 4.468 4.569 -0.101 17824 33 1 . 1 1 40 40 ASP C C 40 174.408 174.408 174.988 -0.580 17824 34 1 . 1 1 40 40 ASP CA C 40 54.389 54.389 54.431 -0.042 17824 35 1 . 1 1 40 40 ASP CB C 40 41.155 41.155 40.796 0.359 17824 36 1 . 1 1 40 40 ASP H H 40 8.154 8.154 8.319 -0.165 17824 37 1 . 1 1 41 41 ASN N N 41 115.983 115.983 116.579 -0.596 17824 38 1 . 1 1 41 41 ASN HA H 41 4.762 4.762 4.886 -0.124 17824 39 1 . 1 1 41 41 ASN C C 41 174.643 174.643 173.570 1.073 17824 40 1 . 1 1 41 41 ASN CA C 41 52.326 52.326 52.078 0.248 17824 41 1 . 1 1 41 41 ASN CB C 41 40.384 40.384 41.508 -1.124 17824 42 1 . 1 1 41 41 ASN H H 41 7.901 7.901 7.501 0.400 17824 43 1 . 1 1 42 42 CYS N N 42 123.612 123.612 122.314 1.298 17824 44 1 . 1 1 42 42 CYS HA H 42 4.286 4.286 4.525 -0.239 17824 45 1 . 1 1 42 42 CYS C C 42 176.756 176.756 175.485 1.271 17824 46 1 . 1 1 42 42 CYS CA C 42 58.800 58.800 58.811 -0.011 17824 47 1 . 1 1 42 42 CYS CB C 42 30.773 30.773 26.727 4.046 17824 48 1 . 1 1 42 42 CYS H H 42 8.503 8.503 8.682 -0.179 17824 49 1 . 1 1 43 43 ALA N N 43 132.181 132.181 131.603 0.578 17824 50 1 . 1 1 43 43 ALA HA H 43 4.165 4.165 4.281 -0.116 17824 51 1 . 1 1 43 43 ALA C C 43 177.706 177.706 178.223 -0.517 17824 52 1 . 1 1 43 43 ALA CA C 43 53.643 53.643 54.213 -0.570 17824 53 1 . 1 1 43 43 ALA CB C 43 19.411 19.411 18.603 0.808 17824 54 1 . 1 1 43 43 ALA H H 43 9.493 9.493 8.935 0.558 17824 55 1 . 1 1 44 44 ILE N N 44 116.079 116.079 116.984 -0.905 17824 56 1 . 1 1 44 44 ILE HA H 44 3.796 3.796 3.664 0.132 17824 57 1 . 1 1 44 44 ILE C C 44 176.208 176.208 176.903 -0.695 17824 58 1 . 1 1 44 44 ILE CA C 44 64.532 64.532 63.921 0.611 17824 59 1 . 1 1 44 44 ILE CB C 44 39.092 39.092 38.015 1.076 17824 60 1 . 1 1 44 44 ILE H H 44 7.956 7.956 7.835 0.121 17824 61 1 . 1 1 45 45 CYS N N 45 116.456 116.456 113.023 3.433 17824 62 1 . 1 1 45 45 CYS HA H 45 5.024 5.024 4.626 0.398 17824 63 1 . 1 1 45 45 CYS C C 45 175.747 175.747 175.024 0.723 17824 64 1 . 1 1 45 45 CYS CA C 45 59.181 59.181 57.464 1.717 17824 65 1 . 1 1 45 45 CYS CB C 45 32.878 32.878 29.240 3.638 17824 66 1 . 1 1 45 45 CYS H H 45 7.818 7.818 7.744 0.074 17824 67 1 . 1 1 46 46 ARG N N 46 117.125 117.125 120.504 -3.379 17824 68 1 . 1 1 46 46 ARG HA H 46 4.005 4.005 4.101 -0.096 17824 69 1 . 1 1 46 46 ARG C C 46 175.539 175.539 174.492 1.047 17824 70 1 . 1 1 46 46 ARG CA C 46 59.784 59.784 56.921 2.863 17824 71 1 . 1 1 46 46 ARG CB C 46 26.594 26.594 27.640 -1.046 17824 72 1 . 1 1 46 46 ARG H H 46 8.511 8.511 8.226 0.285 17824 73 1 . 1 1 47 47 ASN N N 47 121.377 121.377 115.965 5.412 17824 74 1 . 1 1 47 47 ASN HA H 47 5.012 5.012 5.000 0.012 17824 75 1 . 1 1 47 47 ASN C C 47 175.537 175.537 173.723 1.814 17824 76 1 . 1 1 47 47 ASN CA C 47 49.022 49.022 51.524 -2.502 17824 77 1 . 1 1 47 47 ASN CB C 47 39.015 39.015 41.581 -2.566 17824 78 1 . 1 1 47 47 ASN H H 47 8.720 8.720 7.676 1.044 17824 79 1 . 1 1 48 48 HIS N N 48 122.235 122.235 119.141 3.094 17824 80 1 . 1 1 48 48 HIS HA H 48 4.499 4.499 4.572 -0.073 17824 81 1 . 1 1 48 48 HIS C C 48 177.722 177.722 176.138 1.584 17824 82 1 . 1 1 48 48 HIS CA C 48 58.872 58.872 57.667 1.205 17824 83 1 . 1 1 48 48 HIS CB C 48 30.720 30.720 31.262 -0.542 17824 84 1 . 1 1 48 48 HIS H H 48 9.226 9.226 8.720 0.506 17824 85 1 . 1 1 49 49 ILE N N 49 126.643 126.643 123.881 2.762 17824 86 1 . 1 1 49 49 ILE HA H 49 3.400 3.400 3.697 -0.297 17824 87 1 . 1 1 49 49 ILE CA C 49 61.488 61.488 62.858 -1.370 17824 88 1 . 1 1 49 49 ILE CB C 49 38.971 38.971 38.752 0.219 17824 89 1 . 1 1 49 49 ILE H H 49 7.991 7.991 7.812 0.179 17824 90 1 . 1 1 50 50 MET HA H 50 4.268 4.268 4.585 -0.317 17824 91 1 . 1 1 50 50 MET C C 50 177.236 177.236 174.543 2.693 17824 92 1 . 1 1 50 50 MET CA C 50 54.795 54.795 55.337 -0.542 17824 93 1 . 1 1 50 50 MET CB C 50 31.357 31.357 31.924 -0.567 17824 94 1 . 1 1 51 51 ASP N N 51 121.143 121.143 121.310 -0.167 17824 95 1 . 1 1 51 51 ASP HA H 51 5.013 5.013 5.292 -0.279 17824 96 1 . 1 1 51 51 ASP C C 51 176.770 176.770 175.129 1.641 17824 97 1 . 1 1 51 51 ASP CA C 51 50.103 50.103 52.863 -2.760 17824 98 1 . 1 1 51 51 ASP CB C 51 43.285 43.285 43.929 -0.644 17824 99 1 . 1 1 51 51 ASP H H 51 7.854 7.854 8.018 -0.164 17824 100 1 . 1 1 52 52 LEU N N 52 119.501 119.501 121.109 -1.608 17824 101 1 . 1 1 52 52 LEU HA H 52 4.346 4.346 4.298 0.048 17824 102 1 . 1 1 52 52 LEU C C 52 177.049 177.049 176.428 0.621 17824 103 1 . 1 1 52 52 LEU CA C 52 55.431 55.431 55.506 -0.075 17824 104 1 . 1 1 52 52 LEU CB C 52 43.355 43.355 42.779 0.576 17824 105 1 . 1 1 52 52 LEU H H 52 8.484 8.484 8.569 -0.085 17824 106 1 . 1 1 53 53 CYS N N 53 120.790 120.790 117.960 2.830 17824 107 1 . 1 1 53 53 CYS HA H 53 3.846 3.846 4.570 -0.724 17824 108 1 . 1 1 53 53 CYS C C 53 175.247 175.247 176.608 -1.361 17824 109 1 . 1 1 53 53 CYS CA C 53 57.831 57.831 58.224 -0.393 17824 110 1 . 1 1 53 53 CYS CB C 53 31.644 31.644 28.509 3.135 17824 111 1 . 1 1 53 53 CYS H H 53 8.151 8.151 8.182 -0.031 17824 112 1 . 1 1 54 54 ILE N N 54 116.790 116.790 120.252 -3.462 17824 113 1 . 1 1 54 54 ILE HA H 54 3.935 3.935 3.717 0.218 17824 114 1 . 1 1 54 54 ILE C C 54 176.615 176.615 177.816 -1.201 17824 115 1 . 1 1 54 54 ILE CA C 54 63.906 63.906 65.333 -1.427 17824 116 1 . 1 1 54 54 ILE CB C 54 39.034 39.034 37.342 1.692 17824 117 1 . 1 1 54 54 ILE H H 54 6.626 6.626 8.712 -2.086 17824 118 1 . 1 1 55 55 GLU N N 55 123.451 123.451 119.796 3.655 17824 119 1 . 1 1 55 55 GLU HA H 55 4.154 4.154 4.174 -0.020 17824 120 1 . 1 1 55 55 GLU C C 55 179.075 179.075 178.656 0.419 17824 121 1 . 1 1 55 55 GLU CA C 55 59.781 59.781 58.901 0.880 17824 122 1 . 1 1 55 55 GLU CB C 55 30.464 30.464 29.250 1.214 17824 123 1 . 1 1 55 55 GLU H H 55 7.642 7.642 8.538 -0.896 17824 124 1 . 1 1 56 56 CYS N N 56 124.445 124.445 117.459 6.986 17824 125 1 . 1 1 56 56 CYS HA H 56 3.988 3.988 4.139 -0.151 17824 126 1 . 1 1 56 56 CYS C C 56 178.290 178.290 177.127 1.163 17824 127 1 . 1 1 56 56 CYS CA C 56 64.978 64.978 62.672 2.307 17824 128 1 . 1 1 56 56 CYS CB C 56 29.652 29.652 26.058 3.594 17824 129 1 . 1 1 56 56 CYS H H 56 8.676 8.676 8.296 0.380 17824 130 1 . 1 1 57 57 GLN N N 57 117.736 117.736 120.348 -2.612 17824 131 1 . 1 1 57 57 GLN HA H 57 3.892 3.892 4.013 -0.121 17824 132 1 . 1 1 57 57 GLN C C 57 177.428 177.428 177.595 -0.168 17824 133 1 . 1 1 57 57 GLN CA C 57 58.872 58.872 58.486 0.386 17824 134 1 . 1 1 57 57 GLN CB C 57 28.828 28.828 27.619 1.209 17824 135 1 . 1 1 57 57 GLN H H 57 8.419 8.419 8.229 0.190 17824 136 1 . 1 1 58 58 ALA N N 58 119.578 119.578 121.662 -2.084 17824 137 1 . 1 1 58 58 ALA HA H 58 4.277 4.277 4.149 0.128 17824 138 1 . 1 1 58 58 ALA C C 58 178.087 178.087 179.136 -1.049 17824 139 1 . 1 1 58 58 ALA CA C 58 53.522 53.522 53.723 -0.201 17824 140 1 . 1 1 58 58 ALA CB C 58 19.017 19.017 18.690 0.327 17824 141 1 . 1 1 58 58 ALA H H 58 7.335 7.335 7.696 -0.361 17824 142 1 . 1 1 59 59 ASN N N 59 116.209 116.209 116.337 -0.128 17824 143 1 . 1 1 59 59 ASN HA H 59 4.818 4.818 4.522 0.296 17824 144 1 . 1 1 59 59 ASN C C 59 175.372 175.372 175.701 -0.329 17824 145 1 . 1 1 59 59 ASN CA C 59 52.658 52.658 54.575 -1.917 17824 146 1 . 1 1 59 59 ASN CB C 59 39.109 39.109 39.306 -0.197 17824 147 1 . 1 1 59 59 ASN H H 59 7.617 7.617 8.256 -0.639 17824 148 1 . 1 1 60 60 GLN N N 60 120.078 120.078 116.456 3.622 17824 149 1 . 1 1 60 60 GLN HA H 60 4.212 4.212 3.963 0.249 17824 150 1 . 1 1 60 60 GLN C C 60 176.218 176.218 174.411 1.807 17824 151 1 . 1 1 60 60 GLN CA C 60 57.310 57.310 56.411 0.899 17824 152 1 . 1 1 60 60 GLN CB C 60 28.650 28.650 26.828 1.822 17824 153 1 . 1 1 60 60 GLN H H 60 8.116 8.116 8.037 0.079 17824 154 1 . 1 1 61 61 ALA N N 61 122.298 122.298 124.696 -2.398 17824 155 1 . 1 1 61 61 ALA HA H 61 4.318 4.318 4.331 -0.013 17824 156 1 . 1 1 61 61 ALA C C 61 177.964 177.964 177.406 0.557 17824 157 1 . 1 1 61 61 ALA CA C 61 53.440 53.440 52.087 1.353 17824 158 1 . 1 1 61 61 ALA CB C 61 18.652 18.652 19.655 -1.003 17824 159 1 . 1 1 61 61 ALA H H 61 8.345 8.345 7.994 0.351 17824 160 1 . 1 1 62 62 SER N N 62 113.232 113.232 117.635 -4.403 17824 161 1 . 1 1 62 62 SER HA H 62 4.454 4.454 4.385 0.069 17824 162 1 . 1 1 62 62 SER C C 62 174.747 174.747 174.506 0.241 17824 163 1 . 1 1 62 62 SER CA C 62 58.197 58.197 59.225 -1.028 17824 164 1 . 1 1 62 62 SER CB C 62 63.906 63.906 62.362 1.544 17824 165 1 . 1 1 62 62 SER H H 62 8.011 8.011 8.527 -0.516 17824 166 1 . 1 1 63 63 ALA N N 63 125.573 125.573 126.006 -0.433 17824 167 1 . 1 1 63 63 ALA HA H 63 4.183 4.183 4.416 -0.233 17824 168 1 . 1 1 63 63 ALA C C 63 178.091 178.091 176.441 1.650 17824 169 1 . 1 1 63 63 ALA CA C 63 53.006 53.006 52.817 0.189 17824 170 1 . 1 1 63 63 ALA CB C 63 18.756 18.756 19.836 -1.080 17824 171 1 . 1 1 63 63 ALA H H 63 8.323 8.323 7.965 0.358 17824 172 1 . 1 1 64 64 THR N N 64 111.006 111.006 113.700 -2.694 17824 173 1 . 1 1 64 64 THR HA H 64 4.495 4.495 4.553 -0.058 17824 174 1 . 1 1 64 64 THR C C 64 175.346 175.346 174.148 1.198 17824 175 1 . 1 1 64 64 THR CA C 64 61.903 61.903 61.937 -0.034 17824 176 1 . 1 1 64 64 THR CB C 64 69.903 69.903 70.910 -1.007 17824 177 1 . 1 1 64 64 THR H H 64 8.071 8.071 8.022 0.049 17824 178 1 . 1 1 65 65 SER N N 65 118.037 118.037 119.537 -1.500 17824 179 1 . 1 1 65 65 SER HA H 65 4.524 4.524 4.484 0.040 17824 180 1 . 1 1 65 65 SER C C 65 175.131 175.131 175.486 -0.355 17824 181 1 . 1 1 65 65 SER CA C 65 59.795 59.795 59.786 0.009 17824 182 1 . 1 1 65 65 SER CB C 65 63.833 63.833 63.761 0.072 17824 183 1 . 1 1 65 65 SER H H 65 8.328 8.328 8.680 -0.352 17824 184 1 . 1 1 66 66 GLU N N 66 121.505 121.505 120.588 0.917 17824 185 1 . 1 1 66 66 GLU HA H 66 4.314 4.314 4.144 0.170 17824 186 1 . 1 1 66 66 GLU C C 66 176.394 176.394 175.957 0.437 17824 187 1 . 1 1 66 66 GLU CA C 66 56.995 56.995 58.698 -1.703 17824 188 1 . 1 1 66 66 GLU CB C 66 30.310 30.310 29.993 0.317 17824 189 1 . 1 1 66 66 GLU H H 66 8.368 8.368 8.488 -0.120 17824 190 1 . 1 1 67 67 GLU N N 67 119.409 119.409 113.234 6.175 17824 191 1 . 1 1 67 67 GLU HA H 67 4.291 4.291 4.651 -0.360 17824 192 1 . 1 1 67 67 GLU C C 67 175.079 175.079 175.030 0.049 17824 193 1 . 1 1 67 67 GLU CA C 67 56.480 56.480 54.706 1.774 17824 194 1 . 1 1 67 67 GLU CB C 67 29.931 29.931 30.901 -0.970 17824 195 1 . 1 1 67 67 GLU H H 67 8.074 8.074 7.884 0.190 17824 196 1 . 1 1 68 68 CYS N N 68 126.937 126.937 123.474 3.463 17824 197 1 . 1 1 68 68 CYS HA H 68 4.288 4.288 4.586 -0.298 17824 198 1 . 1 1 68 68 CYS C C 68 174.423 174.423 174.331 0.092 17824 199 1 . 1 1 68 68 CYS CA C 68 59.809 59.809 60.350 -0.541 17824 200 1 . 1 1 68 68 CYS CB C 68 28.670 28.670 28.227 0.443 17824 201 1 . 1 1 68 68 CYS H H 68 8.340 8.340 8.512 -0.172 17824 202 1 . 1 1 69 69 THR N N 69 116.442 116.442 110.105 6.337 17824 203 1 . 1 1 69 69 THR HA H 69 4.891 4.891 4.616 0.275 17824 204 1 . 1 1 69 69 THR C C 69 175.561 175.561 172.856 2.705 17824 205 1 . 1 1 69 69 THR CA C 69 60.817 60.817 61.334 -0.517 17824 206 1 . 1 1 69 69 THR CB C 69 71.654 71.654 71.421 0.233 17824 207 1 . 1 1 69 69 THR H H 69 7.497 7.497 7.786 -0.289 17824 208 1 . 1 1 70 70 VAL N N 70 123.637 123.637 123.203 0.434 17824 209 1 . 1 1 70 70 VAL HA H 70 4.335 4.335 4.729 -0.394 17824 210 1 . 1 1 70 70 VAL C C 70 174.368 174.368 172.968 1.400 17824 211 1 . 1 1 70 70 VAL CA C 70 62.942 62.942 60.324 2.618 17824 212 1 . 1 1 70 70 VAL CB C 70 33.897 33.897 35.839 -1.942 17824 213 1 . 1 1 70 70 VAL H H 70 8.862 8.862 8.648 0.214 17824 214 1 . 1 1 71 71 ALA N N 71 128.540 128.540 128.094 0.446 17824 215 1 . 1 1 71 71 ALA HA H 71 5.286 5.286 4.958 0.328 17824 216 1 . 1 1 71 71 ALA C C 71 174.520 174.520 175.437 -0.917 17824 217 1 . 1 1 71 71 ALA CA C 71 50.772 50.772 50.717 0.055 17824 218 1 . 1 1 71 71 ALA CB C 71 23.975 23.975 22.856 1.118 17824 219 1 . 1 1 71 71 ALA H H 71 9.247 9.247 8.957 0.290 17824 220 1 . 1 1 72 72 TRP N N 72 120.167 120.167 122.081 -1.914 17824 221 1 . 1 1 72 72 TRP HA H 72 5.420 5.420 5.273 0.147 17824 222 1 . 1 1 72 72 TRP C C 72 177.182 177.182 176.822 0.360 17824 223 1 . 1 1 72 72 TRP CA C 72 56.763 56.763 55.337 1.426 17824 224 1 . 1 1 72 72 TRP CB C 72 32.630 32.630 31.938 0.692 17824 225 1 . 1 1 72 72 TRP H H 72 9.065 9.065 8.799 0.266 17824 226 1 . 1 1 73 73 GLY N N 73 110.755 110.755 108.370 2.385 17824 227 1 . 1 1 73 73 GLY C C 73 177.914 177.914 174.845 3.069 17824 228 1 . 1 1 73 73 GLY CA C 73 44.167 44.167 43.367 0.800 17824 229 1 . 1 1 73 73 GLY H H 73 9.128 9.128 9.536 -0.408 17824 230 1 . 1 1 74 74 VAL N N 74 122.747 122.747 124.996 -2.248 17824 231 1 . 1 1 74 74 VAL HA H 74 3.836 3.836 3.855 -0.019 17824 232 1 . 1 1 74 74 VAL C C 74 176.014 176.014 176.785 -0.771 17824 233 1 . 1 1 74 74 VAL CA C 74 64.993 64.993 65.082 -0.089 17824 234 1 . 1 1 74 74 VAL CB C 74 31.720 31.720 31.761 -0.041 17824 235 1 . 1 1 74 74 VAL H H 74 8.299 8.299 8.273 0.026 17824 236 1 . 1 1 75 75 CYS N N 75 116.720 116.720 116.920 -0.200 17824 237 1 . 1 1 75 75 CYS HA H 75 4.295 4.295 4.396 -0.100 17824 238 1 . 1 1 75 75 CYS C C 75 174.359 174.359 175.059 -0.700 17824 239 1 . 1 1 75 75 CYS CA C 75 58.217 58.217 58.150 0.067 17824 240 1 . 1 1 75 75 CYS CB C 75 29.701 29.701 25.403 4.298 17824 241 1 . 1 1 75 75 CYS H H 75 7.567 7.567 8.061 -0.494 17824 242 1 . 1 1 76 76 ASN N N 76 114.522 114.522 118.410 -3.888 17824 243 1 . 1 1 76 76 ASN HA H 76 4.434 4.434 4.264 0.170 17824 244 1 . 1 1 76 76 ASN C C 76 173.726 173.726 173.356 0.370 17824 245 1 . 1 1 76 76 ASN CA C 76 55.652 55.652 54.230 1.422 17824 246 1 . 1 1 76 76 ASN CB C 76 36.948 36.948 36.556 0.392 17824 247 1 . 1 1 76 76 ASN H H 76 8.060 8.060 8.011 0.049 17824 248 1 . 1 1 77 77 HIS N N 77 117.754 117.754 116.657 1.097 17824 249 1 . 1 1 77 77 HIS HA H 77 4.717 4.717 4.765 -0.048 17824 250 1 . 1 1 77 77 HIS C C 77 172.650 172.650 173.151 -0.501 17824 251 1 . 1 1 77 77 HIS CA C 77 57.826 57.826 54.561 3.265 17824 252 1 . 1 1 77 77 HIS CB C 77 32.889 32.889 34.020 -1.131 17824 253 1 . 1 1 77 77 HIS H H 77 7.797 7.797 7.618 0.179 17824 254 1 . 1 1 78 78 ALA N N 78 122.889 122.889 123.065 -0.176 17824 255 1 . 1 1 78 78 ALA HA H 78 4.949 4.949 5.402 -0.453 17824 256 1 . 1 1 78 78 ALA C C 78 174.873 174.873 174.932 -0.059 17824 257 1 . 1 1 78 78 ALA CA C 78 49.529 49.529 51.448 -1.919 17824 258 1 . 1 1 78 78 ALA CB C 78 20.077 20.077 21.860 -1.783 17824 259 1 . 1 1 78 78 ALA H H 78 7.811 7.811 8.332 -0.522 17824 260 1 . 1 1 79 79 PHE N N 79 113.618 113.618 119.904 -6.286 17824 261 1 . 1 1 79 79 PHE HA H 79 4.699 4.699 4.732 -0.033 17824 262 1 . 1 1 79 79 PHE C C 79 176.138 176.138 174.681 1.457 17824 263 1 . 1 1 79 79 PHE CA C 79 55.349 55.349 56.843 -1.494 17824 264 1 . 1 1 79 79 PHE CB C 79 45.586 45.586 43.399 2.187 17824 265 1 . 1 1 79 79 PHE H H 79 8.377 8.377 8.823 -0.446 17824 266 1 . 1 1 80 80 HIS N N 80 118.823 118.823 120.278 -1.455 17824 267 1 . 1 1 80 80 HIS HA H 80 4.829 4.829 4.873 -0.044 17824 268 1 . 1 1 80 80 HIS C C 80 177.268 177.268 176.516 0.752 17824 269 1 . 1 1 80 80 HIS CA C 80 60.949 60.949 56.051 4.898 17824 270 1 . 1 1 80 80 HIS CB C 80 29.735 29.735 30.833 -1.097 17824 271 1 . 1 1 80 80 HIS H H 80 8.429 8.429 8.388 0.041 17824 272 1 . 1 1 81 81 PHE N N 81 129.040 129.040 126.265 2.775 17824 273 1 . 1 1 81 81 PHE HA H 81 4.339 4.339 4.255 0.084 17824 274 1 . 1 1 81 81 PHE C C 81 178.911 178.911 176.782 2.129 17824 275 1 . 1 1 81 81 PHE CA C 81 61.838 61.838 62.177 -0.338 17824 276 1 . 1 1 81 81 PHE CB C 81 39.056 39.056 39.417 -0.361 17824 277 1 . 1 1 81 81 PHE H H 81 9.881 9.881 8.826 1.055 17824 278 1 . 1 1 82 82 HIS N N 82 120.611 120.611 119.076 1.535 17824 279 1 . 1 1 82 82 HIS HA H 82 4.286 4.286 4.034 0.252 17824 280 1 . 1 1 82 82 HIS C C 82 177.694 177.694 177.115 0.579 17824 281 1 . 1 1 82 82 HIS CA C 82 58.904 58.904 59.862 -0.957 17824 282 1 . 1 1 82 82 HIS CB C 82 32.833 32.833 29.899 2.934 17824 283 1 . 1 1 82 82 HIS H H 82 10.457 10.457 8.233 2.224 17824 284 1 . 1 1 83 83 CYS N N 83 117.628 117.628 117.392 0.236 17824 285 1 . 1 1 83 83 CYS HA H 83 4.154 4.154 4.065 0.089 17824 286 1 . 1 1 83 83 CYS C C 83 177.768 177.768 176.935 0.833 17824 287 1 . 1 1 83 83 CYS CA C 83 62.968 62.968 62.433 0.535 17824 288 1 . 1 1 83 83 CYS CB C 83 28.904 28.904 26.150 2.754 17824 289 1 . 1 1 83 83 CYS H H 83 6.933 6.933 8.371 -1.438 17824 290 1 . 1 1 84 84 ILE N N 84 119.139 119.139 120.533 -1.394 17824 291 1 . 1 1 84 84 ILE HA H 84 3.842 3.842 3.425 0.417 17824 292 1 . 1 1 84 84 ILE C C 84 175.705 175.705 177.101 -1.396 17824 293 1 . 1 1 84 84 ILE CA C 84 59.877 59.877 63.454 -3.577 17824 294 1 . 1 1 84 84 ILE CB C 84 38.077 38.077 37.638 0.439 17824 295 1 . 1 1 84 84 ILE H H 84 8.290 8.290 8.783 -0.493 17824 296 1 . 1 1 85 85 SER N N 85 118.224 118.224 116.345 1.879 17824 297 1 . 1 1 85 85 SER HA H 85 3.995 3.995 3.997 -0.002 17824 298 1 . 1 1 85 85 SER C C 85 176.097 176.097 176.616 -0.519 17824 299 1 . 1 1 85 85 SER CA C 85 62.841 62.841 62.213 0.628 17824 300 1 . 1 1 85 85 SER CB C 85 62.009 62.009 62.481 -0.472 17824 301 1 . 1 1 85 85 SER H H 85 8.157 8.157 8.180 -0.023 17824 302 1 . 1 1 86 86 ARG N N 86 120.496 120.496 121.421 -0.925 17824 303 1 . 1 1 86 86 ARG HA H 86 4.024 4.024 4.033 -0.009 17824 304 1 . 1 1 86 86 ARG C C 86 179.382 179.382 178.317 1.065 17824 305 1 . 1 1 86 86 ARG CA C 86 59.865 59.865 58.659 1.206 17824 306 1 . 1 1 86 86 ARG CB C 86 29.860 29.860 29.718 0.142 17824 307 1 . 1 1 86 86 ARG H H 86 7.174 7.174 7.584 -0.410 17824 308 1 . 1 1 87 87 TRP N N 87 123.951 123.951 121.843 2.108 17824 309 1 . 1 1 87 87 TRP HA H 87 4.159 4.159 4.234 -0.075 17824 310 1 . 1 1 87 87 TRP C C 87 177.572 177.572 178.190 -0.618 17824 311 1 . 1 1 87 87 TRP CA C 87 60.924 60.924 60.217 0.707 17824 312 1 . 1 1 87 87 TRP CB C 87 29.246 29.246 29.387 -0.141 17824 313 1 . 1 1 87 87 TRP H H 87 7.981 7.981 8.181 -0.200 17824 314 1 . 1 1 88 88 LEU N N 88 116.707 116.707 117.417 -0.710 17824 315 1 . 1 1 88 88 LEU HA H 88 4.763 4.763 4.217 0.546 17824 316 1 . 1 1 88 88 LEU C C 88 178.008 178.008 178.820 -0.812 17824 317 1 . 1 1 88 88 LEU CA C 88 55.728 55.728 56.697 -0.969 17824 318 1 . 1 1 88 88 LEU CB C 88 42.196 42.196 41.700 0.496 17824 319 1 . 1 1 88 88 LEU H H 88 8.246 8.246 8.231 0.015 17824 320 1 . 1 1 89 89 LYS N N 89 117.240 117.240 117.636 -0.396 17824 321 1 . 1 1 89 89 LYS HA H 89 4.081 4.081 4.040 0.041 17824 322 1 . 1 1 89 89 LYS C C 89 178.385 178.385 177.828 0.557 17824 323 1 . 1 1 89 89 LYS CA C 89 58.911 58.911 58.682 0.229 17824 324 1 . 1 1 89 89 LYS CB C 89 32.304 32.304 32.435 -0.131 17824 325 1 . 1 1 89 89 LYS H H 89 7.309 7.309 7.740 -0.431 17824 326 1 . 1 1 90 90 THR N N 90 106.446 106.446 109.407 -2.961 17824 327 1 . 1 1 90 90 THR HA H 90 4.383 4.383 4.188 0.195 17824 328 1 . 1 1 90 90 THR C C 90 173.919 173.919 174.409 -0.490 17824 329 1 . 1 1 90 90 THR CA C 90 62.069 62.069 62.297 -0.228 17824 330 1 . 1 1 90 90 THR CB C 90 70.133 70.133 69.836 0.297 17824 331 1 . 1 1 90 90 THR H H 90 7.452 7.452 7.421 0.031 17824 332 1 . 1 1 91 91 ARG N N 91 121.616 121.616 119.989 1.628 17824 333 1 . 1 1 91 91 ARG HA H 91 4.405 4.405 4.416 -0.011 17824 334 1 . 1 1 91 91 ARG C C 91 174.754 174.754 175.090 -0.336 17824 335 1 . 1 1 91 91 ARG CA C 91 54.833 54.833 53.825 1.008 17824 336 1 . 1 1 91 91 ARG CB C 91 33.885 33.885 32.023 1.862 17824 337 1 . 1 1 91 91 ARG H H 91 7.426 7.426 7.744 -0.318 17824 338 1 . 1 1 92 92 GLN N N 92 118.161 118.161 120.005 -1.844 17824 339 1 . 1 1 92 92 GLN HA H 92 4.708 4.708 4.375 0.333 17824 340 1 . 1 1 92 92 GLN C C 92 176.437 176.437 174.812 1.625 17824 341 1 . 1 1 92 92 GLN CA C 92 55.783 55.783 56.879 -1.096 17824 342 1 . 1 1 92 92 GLN CB C 92 28.958 28.958 29.787 -0.829 17824 343 1 . 1 1 92 92 GLN H H 92 8.526 8.526 8.645 -0.119 17824 344 1 . 1 1 93 93 VAL N N 93 109.557 109.557 111.831 -2.274 17824 345 1 . 1 1 93 93 VAL HA H 93 5.065 5.065 5.001 0.064 17824 346 1 . 1 1 93 93 VAL C C 93 174.806 174.806 175.321 -0.515 17824 347 1 . 1 1 93 93 VAL CA C 93 58.348 58.348 59.124 -0.776 17824 348 1 . 1 1 93 93 VAL CB C 93 35.308 35.308 34.730 0.578 17824 349 1 . 1 1 93 93 VAL H H 93 7.083 7.083 7.185 -0.102 17824 350 1 . 1 1 94 94 CYS N N 94 123.889 123.889 122.312 1.577 17824 351 1 . 1 1 94 94 CYS HA H 94 4.504 4.504 4.586 -0.082 17824 352 1 . 1 1 94 94 CYS CA C 94 56.860 56.860 60.978 -4.118 17824 353 1 . 1 1 94 94 CYS CB C 94 30.765 30.765 26.644 4.121 17824 354 1 . 1 1 94 94 CYS H H 94 9.020 9.020 9.284 -0.264 17824 355 1 . 1 1 95 95 PRO HA H 95 4.080 4.080 4.127 -0.047 17824 356 1 . 1 1 95 95 PRO C C 95 177.037 177.037 176.613 0.424 17824 357 1 . 1 1 95 95 PRO CA C 95 63.998 63.998 64.925 -0.927 17824 358 1 . 1 1 95 95 PRO CB C 95 31.662 31.662 30.911 0.751 17824 359 1 . 1 1 96 96 LEU N N 96 118.497 118.497 117.305 1.192 17824 360 1 . 1 1 96 96 LEU HA H 96 4.316 4.316 4.213 0.103 17824 361 1 . 1 1 96 96 LEU C C 96 177.797 177.797 177.951 -0.154 17824 362 1 . 1 1 96 96 LEU CA C 96 55.812 55.812 56.743 -0.931 17824 363 1 . 1 1 96 96 LEU CB C 96 43.074 43.074 41.698 1.376 17824 364 1 . 1 1 96 96 LEU H H 96 8.798 8.798 7.685 1.113 17824 365 1 . 1 1 97 97 ASP N N 97 114.958 114.958 117.606 -2.648 17824 366 1 . 1 1 97 97 ASP HA H 97 4.952 4.952 4.670 0.282 17824 367 1 . 1 1 97 97 ASP C C 97 175.946 175.946 176.418 -0.472 17824 368 1 . 1 1 97 97 ASP CA C 97 54.712 54.712 54.894 -0.182 17824 369 1 . 1 1 97 97 ASP CB C 97 43.183 43.183 41.207 1.976 17824 370 1 . 1 1 97 97 ASP H H 97 7.396 7.396 8.215 -0.819 17824 371 1 . 1 1 98 98 ASN N N 98 115.407 115.407 115.216 0.191 17824 372 1 . 1 1 98 98 ASN HA H 98 4.424 4.424 4.527 -0.103 17824 373 1 . 1 1 98 98 ASN C C 98 173.934 173.934 174.037 -0.103 17824 374 1 . 1 1 98 98 ASN CA C 98 55.302 55.302 54.357 0.945 17824 375 1 . 1 1 98 98 ASN CB C 98 38.996 38.996 37.549 1.447 17824 376 1 . 1 1 98 98 ASN H H 98 8.332 8.332 8.173 0.159 17824 377 1 . 1 1 99 99 ARG N N 99 119.005 119.005 118.520 0.485 17824 378 1 . 1 1 99 99 ARG HA H 99 4.472 4.472 4.606 -0.134 17824 379 1 . 1 1 99 99 ARG C C 99 176.631 176.631 175.174 1.457 17824 380 1 . 1 1 99 99 ARG CA C 99 55.821 55.821 54.276 1.545 17824 381 1 . 1 1 99 99 ARG CB C 99 30.970 30.970 32.457 -1.488 17824 382 1 . 1 1 99 99 ARG H H 99 8.825 8.825 8.043 0.782 17824 383 1 . 1 1 100 100 GLU N N 100 122.676 122.676 123.431 -0.755 17824 384 1 . 1 1 100 100 GLU HA H 100 4.150 4.150 4.346 -0.196 17824 385 1 . 1 1 100 100 GLU C C 100 176.647 176.647 175.952 0.695 17824 386 1 . 1 1 100 100 GLU CA C 100 58.348 58.348 57.381 0.967 17824 387 1 . 1 1 100 100 GLU CB C 100 29.734 29.734 30.151 -0.417 17824 388 1 . 1 1 100 100 GLU H H 100 8.869 8.869 8.755 0.114 17824 389 1 . 1 1 101 101 TRP N N 101 126.288 126.288 130.017 -3.729 17824 390 1 . 1 1 101 101 TRP HA H 101 4.603 4.603 4.664 -0.061 17824 391 1 . 1 1 101 101 TRP C C 101 175.786 175.786 175.285 0.501 17824 392 1 . 1 1 101 101 TRP CA C 101 57.935 57.935 57.731 0.204 17824 393 1 . 1 1 101 101 TRP CB C 101 29.758 29.758 30.081 -0.323 17824 394 1 . 1 1 101 101 TRP H H 101 8.437 8.437 8.138 0.299 17824 395 1 . 1 1 102 102 GLU N N 102 127.912 127.912 124.519 3.393 17824 396 1 . 1 1 102 102 GLU HA H 102 4.272 4.272 4.324 -0.052 17824 397 1 . 1 1 102 102 GLU C C 102 174.791 174.791 174.571 0.220 17824 398 1 . 1 1 102 102 GLU CA C 102 54.724 54.724 54.067 0.657 17824 399 1 . 1 1 102 102 GLU CB C 102 33.255 33.255 33.209 0.046 17824 400 1 . 1 1 102 102 GLU H H 102 7.319 7.319 7.653 -0.334 17824 401 1 . 1 1 103 103 PHE N N 103 122.445 122.445 122.956 -0.511 17824 402 1 . 1 1 103 103 PHE HA H 103 4.368 4.368 4.744 -0.376 17824 403 1 . 1 1 103 103 PHE C C 103 176.419 176.419 176.131 0.288 17824 404 1 . 1 1 103 103 PHE CA C 103 60.070 60.070 58.857 1.213 17824 405 1 . 1 1 103 103 PHE CB C 103 39.874 39.874 39.451 0.423 17824 406 1 . 1 1 103 103 PHE H H 103 8.827 8.827 8.792 0.035 17824 407 1 . 1 1 104 104 GLN N N 104 122.896 122.896 126.625 -3.729 17824 408 1 . 1 1 104 104 GLN HA H 104 4.286 4.286 4.367 -0.081 17824 409 1 . 1 1 104 104 GLN C C 104 175.487 175.487 175.440 0.047 17824 410 1 . 1 1 104 104 GLN CA C 104 56.270 56.270 57.334 -1.064 17824 411 1 . 1 1 104 104 GLN CB C 104 30.546 30.546 30.249 0.297 17824 412 1 . 1 1 104 104 GLN H H 104 9.119 9.119 8.968 0.151 17824 413 1 . 1 1 105 105 LYS N N 105 121.917 121.917 117.120 4.797 17824 414 1 . 1 1 105 105 LYS HA H 105 4.436 4.436 4.550 -0.114 17824 415 1 . 1 1 105 105 LYS C C 105 175.219 175.219 174.898 0.321 17824 416 1 . 1 1 105 105 LYS CA C 105 56.282 56.282 55.902 0.380 17824 417 1 . 1 1 105 105 LYS CB C 105 33.804 33.804 35.045 -1.241 17824 418 1 . 1 1 105 105 LYS H H 105 8.308 8.308 7.956 0.352 17824 419 1 . 1 1 106 106 TYR N N 106 121.451 121.451 119.710 1.741 17824 420 1 . 1 1 106 106 TYR HA H 106 4.814 4.814 4.806 0.008 17824 421 1 . 1 1 106 106 TYR C C 106 176.017 176.017 175.003 1.014 17824 422 1 . 1 1 106 106 TYR CA C 106 57.828 57.828 57.126 0.702 17824 423 1 . 1 1 106 106 TYR CB C 106 39.606 39.606 39.775 -0.169 17824 424 1 . 1 1 106 106 TYR H H 106 8.431 8.431 8.165 0.266 17824 425 1 . 1 1 107 107 GLY N N 107 110.965 110.965 108.666 2.299 17824 426 1 . 1 1 107 107 GLY C C 107 172.723 172.723 173.172 -0.449 17824 427 1 . 1 1 107 107 GLY CA C 107 45.282 45.282 44.513 0.769 17824 428 1 . 1 1 107 107 GLY H H 107 8.395 8.395 7.973 0.422 17824 stop_ save_