data_26055 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26055 _Entry.PDB_ID 2NDC 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 26055 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.025 3.255 26055 2 1 1 . 1 1 2 2 GLY H H 2 8.688 8.688 8.377 0.311 26055 3 1 1 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.168 0.059 26055 4 1 1 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.087 0.719 26055 5 1 1 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.839 -0.084 26055 6 1 1 . 1 1 3 3 LEU H H 3 8.198 8.198 8.245 -0.047 26055 7 1 1 . 1 1 4 4 ARG N N 4 119.462 119.462 117.435 2.027 26055 8 1 1 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.265 -0.240 26055 9 1 1 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.193 0.370 26055 10 1 1 . 1 1 4 4 ARG H H 4 8.153 8.153 8.526 -0.373 26055 11 1 1 . 1 1 5 5 SER N N 5 113.592 113.592 115.361 -1.769 26055 12 1 1 . 1 1 5 5 SER HA H 5 4.237 4.237 4.343 -0.106 26055 13 1 1 . 1 1 5 5 SER CA C 5 61.456 61.456 59.333 2.123 26055 14 1 1 . 1 1 5 5 SER H H 5 7.869 7.869 8.206 -0.337 26055 15 1 1 . 1 1 6 6 LEU HA H 6 3.970 3.970 3.917 0.053 26055 16 1 1 . 1 1 6 6 LEU CA C 6 59.577 59.577 57.803 1.774 26055 17 1 1 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.747 0.153 26055 18 1 1 . 1 1 6 6 LEU H H 6 8.182 8.182 7.247 0.935 26055 19 1 1 . 1 1 7 7 GLY N N 7 108.313 108.313 104.661 3.652 26055 20 1 1 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.888 -1.065 26055 21 1 1 . 1 1 7 7 GLY H H 7 8.556 8.556 7.882 0.674 26055 22 1 1 . 1 1 8 8 ARG N N 8 122.142 122.142 121.764 0.378 26055 23 1 1 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.106 -0.134 26055 24 1 1 . 1 1 8 8 ARG CA C 8 62.636 62.636 58.386 4.250 26055 25 1 1 . 1 1 8 8 ARG H H 8 7.869 7.869 7.451 0.418 26055 26 1 1 . 1 1 9 9 LYS N N 9 121.621 121.621 121.002 0.619 26055 27 1 1 . 1 1 9 9 LYS HA H 9 4.129 4.129 3.805 0.324 26055 28 1 1 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.699 -1.839 26055 29 1 1 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.161 -4.764 26055 30 1 1 . 1 1 9 9 LYS H H 9 8.449 8.449 8.163 0.286 26055 31 1 1 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.976 -0.253 26055 32 1 1 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.730 2.824 26055 33 1 1 . 1 1 10 10 ILE H H 10 8.222 8.222 7.108 1.114 26055 34 1 1 . 1 1 11 11 LEU HA H 11 4.181 4.181 4.072 0.109 26055 35 1 1 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.686 -0.037 26055 36 1 1 . 1 1 11 11 LEU CB C 11 41.883 41.883 42.020 -0.137 26055 37 1 1 . 1 1 11 11 LEU H H 11 8.087 8.087 8.067 0.020 26055 38 1 1 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.221 -0.185 26055 39 1 1 . 1 1 12 12 ARG CA C 12 59.229 59.229 57.090 2.139 26055 40 1 1 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.421 -0.977 26055 41 1 1 . 1 1 12 12 ARG H H 12 8.106 8.106 7.906 0.200 26055 42 1 1 . 1 1 13 13 ALA N N 13 123.522 123.522 122.321 1.201 26055 43 1 1 . 1 1 13 13 ALA HA H 13 4.244 4.244 4.463 -0.219 26055 44 1 1 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.907 1.946 26055 45 1 1 . 1 1 13 13 ALA H H 13 8.052 8.052 7.478 0.574 26055 46 1 1 . 1 1 14 14 TRP N N 14 119.319 119.319 119.889 -0.570 26055 47 1 1 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.282 -0.220 26055 48 1 1 . 1 1 14 14 TRP CA C 14 59.729 59.729 59.508 0.221 26055 49 1 1 . 1 1 14 14 TRP CB C 14 33.995 33.995 29.296 4.699 26055 50 1 1 . 1 1 14 14 TRP H H 14 7.772 7.772 8.985 -1.213 26055 51 1 1 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.144 -0.273 26055 52 1 1 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.125 1.914 26055 53 1 1 . 1 1 15 15 LYS H H 15 8.190 8.190 6.549 1.641 26055 54 1 1 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.035 -0.013 26055 55 1 1 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.403 1.576 26055 56 1 1 . 1 1 16 16 LYS H H 16 7.653 7.653 7.316 0.337 26055 57 1 1 . 1 1 17 17 TYR HA H 17 4.528 4.528 3.995 0.533 26055 58 1 1 . 1 1 17 17 TYR CA C 17 57.388 57.388 59.891 -2.503 26055 59 1 1 . 1 1 17 17 TYR H H 17 7.947 7.947 8.207 -0.260 26055 60 1 2 . 1 1 2 2 GLY CA C 2 48.279 48.279 44.815 3.464 26055 61 1 2 . 1 1 2 2 GLY H H 2 8.688 8.688 7.701 0.987 26055 62 1 2 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.394 -0.167 26055 63 1 2 . 1 1 3 3 LEU CA C 3 57.806 57.806 56.644 1.162 26055 64 1 2 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.528 0.227 26055 65 1 2 . 1 1 3 3 LEU H H 3 8.198 8.198 8.458 -0.260 26055 66 1 2 . 1 1 4 4 ARG N N 4 119.462 119.462 118.942 0.520 26055 67 1 2 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.233 -0.208 26055 68 1 2 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.126 0.438 26055 69 1 2 . 1 1 4 4 ARG H H 4 8.153 8.153 8.377 -0.224 26055 70 1 2 . 1 1 5 5 SER N N 5 113.592 113.592 116.074 -2.482 26055 71 1 2 . 1 1 5 5 SER HA H 5 4.237 4.237 4.505 -0.268 26055 72 1 2 . 1 1 5 5 SER CA C 5 61.456 61.456 59.737 1.719 26055 73 1 2 . 1 1 5 5 SER H H 5 7.869 7.869 7.770 0.099 26055 74 1 2 . 1 1 6 6 LEU HA H 6 3.970 3.970 3.964 0.006 26055 75 1 2 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.038 1.539 26055 76 1 2 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.385 0.515 26055 77 1 2 . 1 1 6 6 LEU H H 6 8.182 8.182 7.204 0.978 26055 78 1 2 . 1 1 7 7 GLY N N 7 108.313 108.313 105.447 2.866 26055 79 1 2 . 1 1 7 7 GLY CA C 7 45.823 45.823 47.045 -1.222 26055 80 1 2 . 1 1 7 7 GLY H H 7 8.556 8.556 8.605 -0.049 26055 81 1 2 . 1 1 8 8 ARG N N 8 122.142 122.142 120.140 2.002 26055 82 1 2 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.332 -0.360 26055 83 1 2 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.349 5.287 26055 84 1 2 . 1 1 8 8 ARG H H 8 7.869 7.869 8.269 -0.400 26055 85 1 2 . 1 1 9 9 LYS N N 9 121.621 121.621 121.881 -0.260 26055 86 1 2 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.188 -0.059 26055 87 1 2 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.445 -1.585 26055 88 1 2 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.677 -5.280 26055 89 1 2 . 1 1 9 9 LYS H H 9 8.449 8.449 8.040 0.409 26055 90 1 2 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.751 -0.028 26055 91 1 2 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.652 2.902 26055 92 1 2 . 1 1 10 10 ILE H H 10 8.222 8.222 8.588 -0.366 26055 93 1 2 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.961 0.220 26055 94 1 2 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.510 0.139 26055 95 1 2 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.759 0.124 26055 96 1 2 . 1 1 11 11 LEU H H 11 8.087 8.087 7.468 0.619 26055 97 1 2 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.123 -0.087 26055 98 1 2 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.337 2.892 26055 99 1 2 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.125 -0.681 26055 100 1 2 . 1 1 12 12 ARG H H 12 8.106 8.106 7.415 0.691 26055 101 1 2 . 1 1 13 13 ALA N N 13 123.522 123.522 123.210 0.312 26055 102 1 2 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.399 0.845 26055 103 1 2 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.001 2.852 26055 104 1 2 . 1 1 13 13 ALA H H 13 8.052 8.052 7.288 0.764 26055 105 1 2 . 1 1 14 14 TRP N N 14 119.319 119.319 121.023 -1.704 26055 106 1 2 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.365 -0.303 26055 107 1 2 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.263 1.466 26055 108 1 2 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.882 5.113 26055 109 1 2 . 1 1 14 14 TRP H H 14 7.772 7.772 7.147 0.625 26055 110 1 2 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.529 -0.658 26055 111 1 2 . 1 1 15 15 LYS CA C 15 57.039 57.039 56.027 1.012 26055 112 1 2 . 1 1 15 15 LYS H H 15 8.190 8.190 8.152 0.038 26055 113 1 2 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.597 0.425 26055 114 1 2 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.472 1.507 26055 115 1 2 . 1 1 16 16 LYS H H 16 7.653 7.653 7.812 -0.159 26055 116 1 2 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.115 0.413 26055 117 1 2 . 1 1 17 17 TYR CA C 17 57.388 57.388 60.114 -2.725 26055 118 1 2 . 1 1 17 17 TYR H H 17 7.947 7.947 8.231 -0.284 26055 119 1 3 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.991 2.288 26055 120 1 3 . 1 1 2 2 GLY H H 2 8.688 8.688 7.957 0.731 26055 121 1 3 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.170 0.057 26055 122 1 3 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.677 0.129 26055 123 1 3 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.842 -0.087 26055 124 1 3 . 1 1 3 3 LEU H H 3 8.198 8.198 8.219 -0.021 26055 125 1 3 . 1 1 4 4 ARG N N 4 119.462 119.462 118.531 0.931 26055 126 1 3 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.313 -0.288 26055 127 1 3 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.375 0.188 26055 128 1 3 . 1 1 4 4 ARG H H 4 8.153 8.153 8.458 -0.305 26055 129 1 3 . 1 1 5 5 SER N N 5 113.592 113.592 114.970 -1.378 26055 130 1 3 . 1 1 5 5 SER HA H 5 4.237 4.237 4.450 -0.213 26055 131 1 3 . 1 1 5 5 SER CA C 5 61.456 61.456 59.592 1.864 26055 132 1 3 . 1 1 5 5 SER H H 5 7.869 7.869 8.191 -0.322 26055 133 1 3 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.042 -0.072 26055 134 1 3 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.059 1.518 26055 135 1 3 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.530 0.370 26055 136 1 3 . 1 1 6 6 LEU H H 6 8.182 8.182 7.236 0.946 26055 137 1 3 . 1 1 7 7 GLY N N 7 108.313 108.313 105.117 3.196 26055 138 1 3 . 1 1 7 7 GLY CA C 7 45.823 45.823 47.271 -1.448 26055 139 1 3 . 1 1 7 7 GLY H H 7 8.556 8.556 8.716 -0.160 26055 140 1 3 . 1 1 8 8 ARG N N 8 122.142 122.142 120.950 1.192 26055 141 1 3 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.249 -0.277 26055 142 1 3 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.476 5.160 26055 143 1 3 . 1 1 8 8 ARG H H 8 7.869 7.869 8.172 -0.303 26055 144 1 3 . 1 1 9 9 LYS N N 9 121.621 121.621 121.347 0.274 26055 145 1 3 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.118 0.011 26055 146 1 3 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.433 -1.573 26055 147 1 3 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.416 -5.019 26055 148 1 3 . 1 1 9 9 LYS H H 9 8.449 8.449 7.827 0.622 26055 149 1 3 . 1 1 10 10 ILE HA H 10 3.723 3.723 4.124 -0.401 26055 150 1 3 . 1 1 10 10 ILE CA C 10 65.554 65.554 63.186 2.368 26055 151 1 3 . 1 1 10 10 ILE H H 10 8.222 8.222 8.486 -0.264 26055 152 1 3 . 1 1 11 11 LEU HA H 11 4.181 4.181 4.112 0.069 26055 153 1 3 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.192 0.457 26055 154 1 3 . 1 1 11 11 LEU CB C 11 41.883 41.883 42.287 -0.404 26055 155 1 3 . 1 1 11 11 LEU H H 11 8.087 8.087 7.629 0.458 26055 156 1 3 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.186 -0.150 26055 157 1 3 . 1 1 12 12 ARG CA C 12 59.229 59.229 57.097 2.132 26055 158 1 3 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.798 -1.354 26055 159 1 3 . 1 1 12 12 ARG H H 12 8.106 8.106 7.535 0.571 26055 160 1 3 . 1 1 13 13 ALA N N 13 123.522 123.522 121.586 1.936 26055 161 1 3 . 1 1 13 13 ALA HA H 13 4.244 4.244 4.084 0.160 26055 162 1 3 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.674 2.179 26055 163 1 3 . 1 1 13 13 ALA H H 13 8.052 8.052 7.671 0.381 26055 164 1 3 . 1 1 14 14 TRP N N 14 119.319 119.319 120.871 -1.552 26055 165 1 3 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.287 -0.225 26055 166 1 3 . 1 1 14 14 TRP CA C 14 59.729 59.729 59.119 0.610 26055 167 1 3 . 1 1 14 14 TRP CB C 14 33.995 33.995 29.184 4.811 26055 168 1 3 . 1 1 14 14 TRP H H 14 7.772 7.772 9.120 -1.348 26055 169 1 3 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.138 -0.267 26055 170 1 3 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.191 1.848 26055 171 1 3 . 1 1 15 15 LYS H H 15 8.190 8.190 6.718 1.472 26055 172 1 3 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.833 0.189 26055 173 1 3 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.644 1.335 26055 174 1 3 . 1 1 16 16 LYS H H 16 7.653 7.653 7.622 0.031 26055 175 1 3 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.114 0.414 26055 176 1 3 . 1 1 17 17 TYR CA C 17 57.388 57.388 60.176 -2.788 26055 177 1 3 . 1 1 17 17 TYR H H 17 7.947 7.947 7.747 0.200 26055 178 1 4 . 1 1 2 2 GLY CA C 2 48.279 48.279 44.879 3.401 26055 179 1 4 . 1 1 2 2 GLY H H 2 8.688 8.688 7.937 0.751 26055 180 1 4 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.258 -0.031 26055 181 1 4 . 1 1 3 3 LEU CA C 3 57.806 57.806 56.892 0.913 26055 182 1 4 . 1 1 3 3 LEU CB C 3 41.755 41.755 42.118 -0.363 26055 183 1 4 . 1 1 3 3 LEU H H 3 8.198 8.198 8.489 -0.291 26055 184 1 4 . 1 1 4 4 ARG N N 4 119.462 119.462 119.186 0.276 26055 185 1 4 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.275 -0.250 26055 186 1 4 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.490 0.073 26055 187 1 4 . 1 1 4 4 ARG H H 4 8.153 8.153 8.632 -0.479 26055 188 1 4 . 1 1 5 5 SER N N 5 113.592 113.592 115.765 -2.173 26055 189 1 4 . 1 1 5 5 SER HA H 5 4.237 4.237 4.398 -0.161 26055 190 1 4 . 1 1 5 5 SER CA C 5 61.456 61.456 60.074 1.382 26055 191 1 4 . 1 1 5 5 SER H H 5 7.869 7.869 8.217 -0.348 26055 192 1 4 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.053 -0.083 26055 193 1 4 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.312 1.264 26055 194 1 4 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.674 0.226 26055 195 1 4 . 1 1 6 6 LEU H H 6 8.182 8.182 7.578 0.604 26055 196 1 4 . 1 1 7 7 GLY N N 7 108.313 108.313 104.210 4.103 26055 197 1 4 . 1 1 7 7 GLY CA C 7 45.823 45.823 47.069 -1.246 26055 198 1 4 . 1 1 7 7 GLY H H 7 8.556 8.556 8.325 0.231 26055 199 1 4 . 1 1 8 8 ARG N N 8 122.142 122.142 120.204 1.938 26055 200 1 4 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.339 -0.367 26055 201 1 4 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.767 4.869 26055 202 1 4 . 1 1 8 8 ARG H H 8 7.869 7.869 7.837 0.032 26055 203 1 4 . 1 1 9 9 LYS N N 9 121.621 121.621 121.637 -0.016 26055 204 1 4 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.180 -0.051 26055 205 1 4 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.466 -1.606 26055 206 1 4 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.676 -5.279 26055 207 1 4 . 1 1 9 9 LYS H H 9 8.449 8.449 8.038 0.411 26055 208 1 4 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.696 0.027 26055 209 1 4 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.968 2.587 26055 210 1 4 . 1 1 10 10 ILE H H 10 8.222 8.222 8.408 -0.186 26055 211 1 4 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.978 0.203 26055 212 1 4 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.438 0.211 26055 213 1 4 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.706 0.177 26055 214 1 4 . 1 1 11 11 LEU H H 11 8.087 8.087 7.578 0.509 26055 215 1 4 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.140 -0.104 26055 216 1 4 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.114 3.115 26055 217 1 4 . 1 1 12 12 ARG CB C 12 29.444 29.444 29.687 -0.243 26055 218 1 4 . 1 1 12 12 ARG H H 12 8.106 8.106 7.435 0.671 26055 219 1 4 . 1 1 13 13 ALA N N 13 123.522 123.522 122.694 0.828 26055 220 1 4 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.538 0.706 26055 221 1 4 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.172 2.681 26055 222 1 4 . 1 1 13 13 ALA H H 13 8.052 8.052 7.256 0.796 26055 223 1 4 . 1 1 14 14 TRP N N 14 119.319 119.319 122.364 -3.045 26055 224 1 4 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.343 -0.281 26055 225 1 4 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.472 1.256 26055 226 1 4 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.715 5.280 26055 227 1 4 . 1 1 14 14 TRP H H 14 7.772 7.772 7.333 0.439 26055 228 1 4 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.512 -0.641 26055 229 1 4 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.884 1.155 26055 230 1 4 . 1 1 15 15 LYS H H 15 8.190 8.190 8.226 -0.036 26055 231 1 4 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.687 0.335 26055 232 1 4 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.351 1.628 26055 233 1 4 . 1 1 16 16 LYS H H 16 7.653 7.653 7.833 -0.180 26055 234 1 4 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.486 0.042 26055 235 1 4 . 1 1 17 17 TYR CA C 17 57.388 57.388 58.425 -1.037 26055 236 1 4 . 1 1 17 17 TYR H H 17 7.947 7.947 8.098 -0.151 26055 237 1 5 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.992 2.287 26055 238 1 5 . 1 1 2 2 GLY H H 2 8.688 8.688 8.124 0.563 26055 239 1 5 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.036 0.191 26055 240 1 5 . 1 1 3 3 LEU CA C 3 57.806 57.806 58.251 -0.445 26055 241 1 5 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.638 0.117 26055 242 1 5 . 1 1 3 3 LEU H H 3 8.198 8.198 8.068 0.130 26055 243 1 5 . 1 1 4 4 ARG N N 4 119.462 119.462 116.997 2.465 26055 244 1 5 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.300 -0.275 26055 245 1 5 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.297 0.266 26055 246 1 5 . 1 1 4 4 ARG H H 4 8.153 8.153 8.498 -0.345 26055 247 1 5 . 1 1 5 5 SER N N 5 113.592 113.592 117.015 -3.423 26055 248 1 5 . 1 1 5 5 SER HA H 5 4.237 4.237 4.387 -0.150 26055 249 1 5 . 1 1 5 5 SER CA C 5 61.456 61.456 60.089 1.367 26055 250 1 5 . 1 1 5 5 SER H H 5 7.869 7.869 8.056 -0.187 26055 251 1 5 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.034 -0.064 26055 252 1 5 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.174 1.403 26055 253 1 5 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.771 0.129 26055 254 1 5 . 1 1 6 6 LEU H H 6 8.182 8.182 7.917 0.265 26055 255 1 5 . 1 1 7 7 GLY N N 7 108.313 108.313 104.364 3.949 26055 256 1 5 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.821 -0.998 26055 257 1 5 . 1 1 7 7 GLY H H 7 8.556 8.556 8.293 0.263 26055 258 1 5 . 1 1 8 8 ARG N N 8 122.142 122.142 119.560 2.582 26055 259 1 5 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.399 -0.427 26055 260 1 5 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.034 5.602 26055 261 1 5 . 1 1 8 8 ARG H H 8 7.869 7.869 7.831 0.038 26055 262 1 5 . 1 1 9 9 LYS N N 9 121.621 121.621 122.786 -1.165 26055 263 1 5 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.176 -0.047 26055 264 1 5 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.450 -1.589 26055 265 1 5 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.574 -5.177 26055 266 1 5 . 1 1 9 9 LYS H H 9 8.449 8.449 8.207 0.242 26055 267 1 5 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.609 0.114 26055 268 1 5 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.081 3.473 26055 269 1 5 . 1 1 10 10 ILE H H 10 8.222 8.222 7.784 0.438 26055 270 1 5 . 1 1 11 11 LEU HA H 11 4.181 4.181 4.013 0.168 26055 271 1 5 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.657 -0.008 26055 272 1 5 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.303 0.579 26055 273 1 5 . 1 1 11 11 LEU H H 11 8.087 8.087 7.593 0.494 26055 274 1 5 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.101 -0.065 26055 275 1 5 . 1 1 12 12 ARG CA C 12 59.229 59.229 55.984 3.245 26055 276 1 5 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.085 -0.641 26055 277 1 5 . 1 1 12 12 ARG H H 12 8.106 8.106 7.581 0.525 26055 278 1 5 . 1 1 13 13 ALA N N 13 123.522 123.522 122.730 0.792 26055 279 1 5 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.411 0.833 26055 280 1 5 . 1 1 13 13 ALA CA C 13 54.853 54.853 51.950 2.904 26055 281 1 5 . 1 1 13 13 ALA H H 13 8.052 8.052 6.991 1.061 26055 282 1 5 . 1 1 14 14 TRP N N 14 119.319 119.319 120.238 -0.919 26055 283 1 5 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.327 -0.265 26055 284 1 5 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.244 1.485 26055 285 1 5 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.726 5.269 26055 286 1 5 . 1 1 14 14 TRP H H 14 7.772 7.772 7.300 0.472 26055 287 1 5 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.481 -0.610 26055 288 1 5 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.869 1.170 26055 289 1 5 . 1 1 15 15 LYS H H 15 8.190 8.190 8.149 0.041 26055 290 1 5 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.912 0.110 26055 291 1 5 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.468 1.511 26055 292 1 5 . 1 1 16 16 LYS H H 16 7.653 7.653 8.023 -0.370 26055 293 1 5 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.443 0.085 26055 294 1 5 . 1 1 17 17 TYR CA C 17 57.388 57.388 58.272 -0.884 26055 295 1 5 . 1 1 17 17 TYR H H 17 7.947 7.947 8.077 -0.130 26055 296 1 6 . 1 1 2 2 GLY CA C 2 48.279 48.279 43.880 4.399 26055 297 1 6 . 1 1 2 2 GLY H H 2 8.688 8.688 8.562 0.126 26055 298 1 6 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.085 0.142 26055 299 1 6 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.649 0.157 26055 300 1 6 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.834 -0.079 26055 301 1 6 . 1 1 3 3 LEU H H 3 8.198 8.198 8.371 -0.173 26055 302 1 6 . 1 1 4 4 ARG N N 4 119.462 119.462 118.866 0.596 26055 303 1 6 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.288 -0.263 26055 304 1 6 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.477 0.086 26055 305 1 6 . 1 1 4 4 ARG H H 4 8.153 8.153 8.580 -0.427 26055 306 1 6 . 1 1 5 5 SER N N 5 113.592 113.592 116.145 -2.553 26055 307 1 6 . 1 1 5 5 SER HA H 5 4.237 4.237 4.409 -0.172 26055 308 1 6 . 1 1 5 5 SER CA C 5 61.456 61.456 60.102 1.354 26055 309 1 6 . 1 1 5 5 SER H H 5 7.869 7.869 8.181 -0.312 26055 310 1 6 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.007 -0.037 26055 311 1 6 . 1 1 6 6 LEU CA C 6 59.577 59.577 57.791 1.786 26055 312 1 6 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.806 0.094 26055 313 1 6 . 1 1 6 6 LEU H H 6 8.182 8.182 7.426 0.756 26055 314 1 6 . 1 1 7 7 GLY N N 7 108.313 108.313 105.671 2.642 26055 315 1 6 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.953 -1.129 26055 316 1 6 . 1 1 7 7 GLY H H 7 8.556 8.556 7.944 0.612 26055 317 1 6 . 1 1 8 8 ARG N N 8 122.142 122.142 120.813 1.329 26055 318 1 6 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.380 -0.408 26055 319 1 6 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.045 5.591 26055 320 1 6 . 1 1 8 8 ARG H H 8 7.869 7.869 7.762 0.107 26055 321 1 6 . 1 1 9 9 LYS N N 9 121.621 121.621 120.896 0.725 26055 322 1 6 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.154 -0.025 26055 323 1 6 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.399 -1.539 26055 324 1 6 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.419 -5.022 26055 325 1 6 . 1 1 9 9 LYS H H 9 8.449 8.449 8.133 0.316 26055 326 1 6 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.797 -0.074 26055 327 1 6 . 1 1 10 10 ILE CA C 10 65.554 65.554 63.138 2.416 26055 328 1 6 . 1 1 10 10 ILE H H 10 8.222 8.222 7.772 0.450 26055 329 1 6 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.977 0.204 26055 330 1 6 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.014 0.635 26055 331 1 6 . 1 1 11 11 LEU CB C 11 41.883 41.883 40.576 1.307 26055 332 1 6 . 1 1 11 11 LEU H H 11 8.087 8.087 7.742 0.345 26055 333 1 6 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.119 -0.083 26055 334 1 6 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.358 2.871 26055 335 1 6 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.369 -0.925 26055 336 1 6 . 1 1 12 12 ARG H H 12 8.106 8.106 7.469 0.637 26055 337 1 6 . 1 1 13 13 ALA N N 13 123.522 123.522 123.414 0.108 26055 338 1 6 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.439 0.805 26055 339 1 6 . 1 1 13 13 ALA CA C 13 54.853 54.853 51.952 2.901 26055 340 1 6 . 1 1 13 13 ALA H H 13 8.052 8.052 7.266 0.786 26055 341 1 6 . 1 1 14 14 TRP N N 14 119.319 119.319 122.802 -3.483 26055 342 1 6 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.348 -0.286 26055 343 1 6 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.809 0.920 26055 344 1 6 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.666 5.329 26055 345 1 6 . 1 1 14 14 TRP H H 14 7.772 7.772 7.261 0.511 26055 346 1 6 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.405 -0.534 26055 347 1 6 . 1 1 15 15 LYS CA C 15 57.039 57.039 56.129 0.910 26055 348 1 6 . 1 1 15 15 LYS H H 15 8.190 8.190 8.194 -0.004 26055 349 1 6 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.728 0.294 26055 350 1 6 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.761 1.218 26055 351 1 6 . 1 1 16 16 LYS H H 16 7.653 7.653 8.026 -0.373 26055 352 1 6 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.207 0.321 26055 353 1 6 . 1 1 17 17 TYR CA C 17 57.388 57.388 60.275 -2.887 26055 354 1 6 . 1 1 17 17 TYR H H 17 7.947 7.947 8.401 -0.454 26055 355 1 7 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.481 2.798 26055 356 1 7 . 1 1 2 2 GLY H H 2 8.688 8.688 7.698 0.990 26055 357 1 7 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.207 0.020 26055 358 1 7 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.482 0.324 26055 359 1 7 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.886 -0.131 26055 360 1 7 . 1 1 3 3 LEU H H 3 8.198 8.198 8.231 -0.033 26055 361 1 7 . 1 1 4 4 ARG N N 4 119.462 119.462 118.605 0.857 26055 362 1 7 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.336 -0.311 26055 363 1 7 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.370 0.193 26055 364 1 7 . 1 1 4 4 ARG H H 4 8.153 8.153 8.527 -0.374 26055 365 1 7 . 1 1 5 5 SER N N 5 113.592 113.592 115.716 -2.124 26055 366 1 7 . 1 1 5 5 SER HA H 5 4.237 4.237 4.455 -0.218 26055 367 1 7 . 1 1 5 5 SER CA C 5 61.456 61.456 59.708 1.748 26055 368 1 7 . 1 1 5 5 SER H H 5 7.869 7.869 8.225 -0.356 26055 369 1 7 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.028 -0.058 26055 370 1 7 . 1 1 6 6 LEU CA C 6 59.577 59.577 57.788 1.789 26055 371 1 7 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.855 0.045 26055 372 1 7 . 1 1 6 6 LEU H H 6 8.182 8.182 7.243 0.939 26055 373 1 7 . 1 1 7 7 GLY N N 7 108.313 108.313 104.281 4.032 26055 374 1 7 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.687 -0.864 26055 375 1 7 . 1 1 7 7 GLY H H 7 8.556 8.556 8.452 0.104 26055 376 1 7 . 1 1 8 8 ARG N N 8 122.142 122.142 122.339 -0.197 26055 377 1 7 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.210 -0.238 26055 378 1 7 . 1 1 8 8 ARG CA C 8 62.636 62.636 58.022 4.614 26055 379 1 7 . 1 1 8 8 ARG H H 8 7.869 7.869 7.913 -0.044 26055 380 1 7 . 1 1 9 9 LYS N N 9 121.621 121.621 120.735 0.886 26055 381 1 7 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.179 -0.050 26055 382 1 7 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.216 -1.356 26055 383 1 7 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.427 -5.030 26055 384 1 7 . 1 1 9 9 LYS H H 9 8.449 8.449 8.250 0.199 26055 385 1 7 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.874 -0.151 26055 386 1 7 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.612 2.942 26055 387 1 7 . 1 1 10 10 ILE H H 10 8.222 8.222 7.480 0.742 26055 388 1 7 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.980 0.201 26055 389 1 7 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.274 0.375 26055 390 1 7 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.191 0.692 26055 391 1 7 . 1 1 11 11 LEU H H 11 8.087 8.087 7.559 0.528 26055 392 1 7 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.116 -0.080 26055 393 1 7 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.212 3.017 26055 394 1 7 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.128 -0.684 26055 395 1 7 . 1 1 12 12 ARG H H 12 8.106 8.106 7.472 0.634 26055 396 1 7 . 1 1 13 13 ALA N N 13 123.522 123.522 123.201 0.321 26055 397 1 7 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.468 0.776 26055 398 1 7 . 1 1 13 13 ALA CA C 13 54.853 54.853 51.995 2.858 26055 399 1 7 . 1 1 13 13 ALA H H 13 8.052 8.052 7.298 0.754 26055 400 1 7 . 1 1 14 14 TRP N N 14 119.319 119.319 121.396 -2.077 26055 401 1 7 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.340 -0.278 26055 402 1 7 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.661 1.068 26055 403 1 7 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.771 5.223 26055 404 1 7 . 1 1 14 14 TRP H H 14 7.772 7.772 7.268 0.504 26055 405 1 7 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.389 -0.518 26055 406 1 7 . 1 1 15 15 LYS CA C 15 57.039 57.039 56.424 0.615 26055 407 1 7 . 1 1 15 15 LYS H H 15 8.190 8.190 8.031 0.159 26055 408 1 7 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.844 0.178 26055 409 1 7 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.293 1.686 26055 410 1 7 . 1 1 16 16 LYS H H 16 7.653 7.653 8.033 -0.380 26055 411 1 7 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.304 0.224 26055 412 1 7 . 1 1 17 17 TYR CA C 17 57.388 57.388 58.393 -1.005 26055 413 1 7 . 1 1 17 17 TYR H H 17 7.947 7.947 8.308 -0.361 26055 414 1 8 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.584 2.695 26055 415 1 8 . 1 1 2 2 GLY H H 2 8.688 8.688 7.928 0.760 26055 416 1 8 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.138 0.089 26055 417 1 8 . 1 1 3 3 LEU CA C 3 57.806 57.806 58.016 -0.209 26055 418 1 8 . 1 1 3 3 LEU CB C 3 41.755 41.755 42.062 -0.307 26055 419 1 8 . 1 1 3 3 LEU H H 3 8.198 8.198 8.243 -0.045 26055 420 1 8 . 1 1 4 4 ARG N N 4 119.462 119.462 119.072 0.390 26055 421 1 8 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.184 -0.159 26055 422 1 8 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.968 -0.405 26055 423 1 8 . 1 1 4 4 ARG H H 4 8.153 8.153 8.439 -0.286 26055 424 1 8 . 1 1 5 5 SER N N 5 113.592 113.592 114.343 -0.751 26055 425 1 8 . 1 1 5 5 SER HA H 5 4.237 4.237 4.375 -0.138 26055 426 1 8 . 1 1 5 5 SER CA C 5 61.456 61.456 60.478 0.978 26055 427 1 8 . 1 1 5 5 SER H H 5 7.869 7.869 8.235 -0.366 26055 428 1 8 . 1 1 6 6 LEU HA H 6 3.970 3.970 3.941 0.029 26055 429 1 8 . 1 1 6 6 LEU CA C 6 59.577 59.577 57.923 1.653 26055 430 1 8 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.433 0.467 26055 431 1 8 . 1 1 6 6 LEU H H 6 8.182 8.182 7.348 0.834 26055 432 1 8 . 1 1 7 7 GLY N N 7 108.313 108.313 104.383 3.930 26055 433 1 8 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.559 -0.736 26055 434 1 8 . 1 1 7 7 GLY H H 7 8.556 8.556 8.556 -0.000 26055 435 1 8 . 1 1 8 8 ARG N N 8 122.142 122.142 119.746 2.396 26055 436 1 8 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.368 -0.396 26055 437 1 8 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.305 5.331 26055 438 1 8 . 1 1 8 8 ARG H H 8 7.869 7.869 7.759 0.110 26055 439 1 8 . 1 1 9 9 LYS N N 9 121.621 121.621 122.560 -0.939 26055 440 1 8 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.150 -0.021 26055 441 1 8 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.435 -1.575 26055 442 1 8 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.437 -5.040 26055 443 1 8 . 1 1 9 9 LYS H H 9 8.449 8.449 8.383 0.066 26055 444 1 8 . 1 1 10 10 ILE HA H 10 3.723 3.723 4.122 -0.399 26055 445 1 8 . 1 1 10 10 ILE CA C 10 65.554 65.554 61.928 3.626 26055 446 1 8 . 1 1 10 10 ILE H H 10 8.222 8.222 7.673 0.549 26055 447 1 8 . 1 1 11 11 LEU HA H 11 4.181 4.181 4.085 0.096 26055 448 1 8 . 1 1 11 11 LEU CA C 11 57.649 57.649 56.854 0.795 26055 449 1 8 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.241 0.642 26055 450 1 8 . 1 1 11 11 LEU H H 11 8.087 8.087 7.791 0.296 26055 451 1 8 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.254 -0.218 26055 452 1 8 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.221 3.008 26055 453 1 8 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.295 -0.851 26055 454 1 8 . 1 1 12 12 ARG H H 12 8.106 8.106 7.432 0.674 26055 455 1 8 . 1 1 13 13 ALA N N 13 123.522 123.522 123.591 -0.069 26055 456 1 8 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.129 1.115 26055 457 1 8 . 1 1 13 13 ALA CA C 13 54.853 54.853 51.953 2.900 26055 458 1 8 . 1 1 13 13 ALA H H 13 8.052 8.052 7.859 0.193 26055 459 1 8 . 1 1 14 14 TRP N N 14 119.319 119.319 122.364 -3.045 26055 460 1 8 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.291 -0.229 26055 461 1 8 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.014 1.715 26055 462 1 8 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.791 5.204 26055 463 1 8 . 1 1 14 14 TRP H H 14 7.772 7.772 6.763 1.009 26055 464 1 8 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.320 -0.449 26055 465 1 8 . 1 1 15 15 LYS CA C 15 57.039 57.039 56.252 0.787 26055 466 1 8 . 1 1 15 15 LYS H H 15 8.190 8.190 8.179 0.011 26055 467 1 8 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.570 0.452 26055 468 1 8 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.519 1.460 26055 469 1 8 . 1 1 16 16 LYS H H 16 7.653 7.653 7.689 -0.036 26055 470 1 8 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.321 0.207 26055 471 1 8 . 1 1 17 17 TYR CA C 17 57.388 57.388 58.253 -0.865 26055 472 1 8 . 1 1 17 17 TYR H H 17 7.947 7.947 7.788 0.159 26055 473 1 9 . 1 1 2 2 GLY CA C 2 48.279 48.279 44.799 3.480 26055 474 1 9 . 1 1 2 2 GLY H H 2 8.688 8.688 8.244 0.444 26055 475 1 9 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.253 -0.026 26055 476 1 9 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.243 0.563 26055 477 1 9 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.557 0.198 26055 478 1 9 . 1 1 3 3 LEU H H 3 8.198 8.198 8.566 -0.368 26055 479 1 9 . 1 1 4 4 ARG N N 4 119.462 119.462 118.510 0.952 26055 480 1 9 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.200 -0.175 26055 481 1 9 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.187 0.376 26055 482 1 9 . 1 1 4 4 ARG H H 4 8.153 8.153 8.539 -0.386 26055 483 1 9 . 1 1 5 5 SER N N 5 113.592 113.592 115.957 -2.365 26055 484 1 9 . 1 1 5 5 SER HA H 5 4.237 4.237 4.535 -0.298 26055 485 1 9 . 1 1 5 5 SER CA C 5 61.456 61.456 59.661 1.794 26055 486 1 9 . 1 1 5 5 SER H H 5 7.869 7.869 7.617 0.252 26055 487 1 9 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.030 -0.060 26055 488 1 9 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.671 0.906 26055 489 1 9 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.261 0.639 26055 490 1 9 . 1 1 6 6 LEU H H 6 8.182 8.182 7.463 0.719 26055 491 1 9 . 1 1 7 7 GLY N N 7 108.313 108.313 104.925 3.388 26055 492 1 9 . 1 1 7 7 GLY CA C 7 45.823 45.823 47.116 -1.293 26055 493 1 9 . 1 1 7 7 GLY H H 7 8.556 8.556 8.654 -0.098 26055 494 1 9 . 1 1 8 8 ARG N N 8 122.142 122.142 121.841 0.301 26055 495 1 9 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.103 -0.131 26055 496 1 9 . 1 1 8 8 ARG CA C 8 62.636 62.636 58.248 4.388 26055 497 1 9 . 1 1 8 8 ARG H H 8 7.869 7.869 7.783 0.086 26055 498 1 9 . 1 1 9 9 LYS N N 9 121.621 121.621 120.071 1.550 26055 499 1 9 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.177 -0.048 26055 500 1 9 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.481 -1.621 26055 501 1 9 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.487 -5.090 26055 502 1 9 . 1 1 9 9 LYS H H 9 8.449 8.449 8.141 0.308 26055 503 1 9 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.628 0.095 26055 504 1 9 . 1 1 10 10 ILE CA C 10 65.554 65.554 63.292 2.262 26055 505 1 9 . 1 1 10 10 ILE H H 10 8.222 8.222 8.189 0.033 26055 506 1 9 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.932 0.249 26055 507 1 9 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.527 0.122 26055 508 1 9 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.554 0.329 26055 509 1 9 . 1 1 11 11 LEU H H 11 8.087 8.087 7.341 0.746 26055 510 1 9 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.098 -0.062 26055 511 1 9 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.250 2.979 26055 512 1 9 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.036 -0.592 26055 513 1 9 . 1 1 12 12 ARG H H 12 8.106 8.106 7.452 0.654 26055 514 1 9 . 1 1 13 13 ALA N N 13 123.522 123.522 122.667 0.855 26055 515 1 9 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.449 0.795 26055 516 1 9 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.009 2.844 26055 517 1 9 . 1 1 13 13 ALA H H 13 8.052 8.052 7.194 0.858 26055 518 1 9 . 1 1 14 14 TRP N N 14 119.319 119.319 120.329 -1.010 26055 519 1 9 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.373 -0.311 26055 520 1 9 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.188 1.541 26055 521 1 9 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.852 5.143 26055 522 1 9 . 1 1 14 14 TRP H H 14 7.772 7.772 7.229 0.543 26055 523 1 9 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.505 -0.634 26055 524 1 9 . 1 1 15 15 LYS CA C 15 57.039 57.039 56.270 0.769 26055 525 1 9 . 1 1 15 15 LYS H H 15 8.190 8.190 7.988 0.202 26055 526 1 9 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.590 0.432 26055 527 1 9 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.448 1.531 26055 528 1 9 . 1 1 16 16 LYS H H 16 7.653 7.653 7.872 -0.219 26055 529 1 9 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.038 0.490 26055 530 1 9 . 1 1 17 17 TYR CA C 17 57.388 57.388 59.939 -2.551 26055 531 1 9 . 1 1 17 17 TYR H H 17 7.947 7.947 8.100 -0.153 26055 532 1 10 . 1 1 2 2 GLY CA C 2 48.279 48.279 44.849 3.430 26055 533 1 10 . 1 1 2 2 GLY H H 2 8.688 8.688 7.839 0.849 26055 534 1 10 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.199 0.028 26055 535 1 10 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.516 0.290 26055 536 1 10 . 1 1 3 3 LEU CB C 3 41.755 41.755 42.080 -0.325 26055 537 1 10 . 1 1 3 3 LEU H H 3 8.198 8.198 8.584 -0.386 26055 538 1 10 . 1 1 4 4 ARG N N 4 119.462 119.462 119.023 0.439 26055 539 1 10 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.316 -0.291 26055 540 1 10 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.531 0.032 26055 541 1 10 . 1 1 4 4 ARG H H 4 8.153 8.153 8.615 -0.462 26055 542 1 10 . 1 1 5 5 SER N N 5 113.592 113.592 115.936 -2.344 26055 543 1 10 . 1 1 5 5 SER HA H 5 4.237 4.237 4.349 -0.112 26055 544 1 10 . 1 1 5 5 SER CA C 5 61.456 61.456 59.831 1.625 26055 545 1 10 . 1 1 5 5 SER H H 5 7.869 7.869 8.294 -0.425 26055 546 1 10 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.089 -0.119 26055 547 1 10 . 1 1 6 6 LEU CA C 6 59.577 59.577 57.887 1.690 26055 548 1 10 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.526 0.374 26055 549 1 10 . 1 1 6 6 LEU H H 6 8.182 8.182 7.348 0.834 26055 550 1 10 . 1 1 7 7 GLY N N 7 108.313 108.313 104.707 3.606 26055 551 1 10 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.974 -1.151 26055 552 1 10 . 1 1 7 7 GLY H H 7 8.556 8.556 8.114 0.442 26055 553 1 10 . 1 1 8 8 ARG N N 8 122.142 122.142 119.954 2.188 26055 554 1 10 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.354 -0.382 26055 555 1 10 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.598 5.038 26055 556 1 10 . 1 1 8 8 ARG H H 8 7.869 7.869 8.205 -0.336 26055 557 1 10 . 1 1 9 9 LYS N N 9 121.621 121.621 121.780 -0.159 26055 558 1 10 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.198 -0.069 26055 559 1 10 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.571 -1.711 26055 560 1 10 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.667 -5.270 26055 561 1 10 . 1 1 9 9 LYS H H 9 8.449 8.449 7.839 0.610 26055 562 1 10 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.519 0.204 26055 563 1 10 . 1 1 10 10 ILE CA C 10 65.554 65.554 63.714 1.840 26055 564 1 10 . 1 1 10 10 ILE H H 10 8.222 8.222 8.445 -0.223 26055 565 1 10 . 1 1 11 11 LEU HA H 11 4.181 4.181 3.976 0.205 26055 566 1 10 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.778 -0.129 26055 567 1 10 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.209 0.673 26055 568 1 10 . 1 1 11 11 LEU H H 11 8.087 8.087 7.649 0.438 26055 569 1 10 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.120 -0.084 26055 570 1 10 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.166 3.063 26055 571 1 10 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.131 -0.687 26055 572 1 10 . 1 1 12 12 ARG H H 12 8.106 8.106 7.613 0.493 26055 573 1 10 . 1 1 13 13 ALA N N 13 123.522 123.522 122.177 1.345 26055 574 1 10 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.561 0.683 26055 575 1 10 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.268 2.585 26055 576 1 10 . 1 1 13 13 ALA H H 13 8.052 8.052 7.191 0.861 26055 577 1 10 . 1 1 14 14 TRP N N 14 119.319 119.319 123.755 -4.436 26055 578 1 10 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.434 -0.372 26055 579 1 10 . 1 1 14 14 TRP CA C 14 59.729 59.729 57.694 2.035 26055 580 1 10 . 1 1 14 14 TRP CB C 14 33.995 33.995 29.160 4.835 26055 581 1 10 . 1 1 14 14 TRP H H 14 7.772 7.772 7.424 0.348 26055 582 1 10 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.505 -0.634 26055 583 1 10 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.494 1.545 26055 584 1 10 . 1 1 15 15 LYS H H 15 8.190 8.190 8.469 -0.279 26055 585 1 10 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.659 0.363 26055 586 1 10 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.159 1.820 26055 587 1 10 . 1 1 16 16 LYS H H 16 7.653 7.653 8.163 -0.510 26055 588 1 10 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.432 0.096 26055 589 1 10 . 1 1 17 17 TYR CA C 17 57.388 57.388 58.186 -0.798 26055 590 1 10 . 1 1 17 17 TYR H H 17 7.947 7.947 8.347 -0.400 26055 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 7 1.807 -0.791 1.755 26055 2 1 1 "Average Difference" HA 16 0.276 0.034 0.283 26055 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26055 4 1 1 "Average Difference" CA 16 2.096 -1.104 1.840 26055 5 1 1 "Average Difference" CB 6 2.762 0.185 3.019 26055 6 1 1 "Average Difference" HN 16 0.702 -0.268 0.671 26055 7 1 2 "Average Difference" N 7 1.762 -0.179 1.893 26055 8 1 2 "Average Difference" HA 16 0.375 -0.010 0.387 26055 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26055 10 1 2 "Average Difference" CA 16 2.354 -1.303 2.024 26055 11 1 2 "Average Difference" CB 6 3.023 -0.003 3.311 26055 12 1 2 "Average Difference" HN 16 0.528 -0.217 0.497 26055 13 1 3 "Average Difference" N 7 1.717 -0.657 1.713 26055 14 1 3 "Average Difference" HA 16 0.277 0.055 0.281 26055 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26055 16 1 3 "Average Difference" CA 16 2.102 -1.017 1.901 26055 17 1 3 "Average Difference" CB 6 2.900 0.280 3.162 26055 18 1 3 "Average Difference" HN 16 0.657 -0.168 0.656 26055 19 1 4 "Average Difference" N 7 2.247 -0.273 2.409 26055 20 1 4 "Average Difference" HA 16 0.327 0.029 0.337 26055 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26055 22 1 4 "Average Difference" CA 16 2.151 -1.290 1.777 26055 23 1 4 "Average Difference" CB 6 3.056 0.034 3.347 26055 24 1 4 "Average Difference" HN 16 0.448 -0.173 0.427 26055 25 1 5 "Average Difference" N 7 2.475 -0.612 2.591 26055 26 1 5 "Average Difference" HA 16 0.332 -0.014 0.343 26055 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26055 28 1 5 "Average Difference" CA 16 2.263 -1.299 1.913 26055 29 1 5 "Average Difference" CB 6 3.037 -0.046 3.326 26055 30 1 5 "Average Difference" HN 16 0.426 -0.219 0.378 26055 31 1 6 "Average Difference" N 7 2.010 0.091 2.169 26055 32 1 6 "Average Difference" HA 16 0.389 0.015 0.401 26055 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26055 34 1 6 "Average Difference" CA 16 2.420 -1.230 2.152 26055 35 1 6 "Average Difference" CB 6 3.061 -0.117 3.350 26055 36 1 6 "Average Difference" HN 16 0.457 -0.181 0.433 26055 37 1 7 "Average Difference" N 7 1.955 -0.243 2.095 26055 38 1 7 "Average Difference" HA 16 0.349 0.038 0.358 26055 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26055 40 1 7 "Average Difference" CA 16 2.085 -1.300 1.683 26055 41 1 7 "Average Difference" CB 6 2.987 -0.019 3.272 26055 42 1 7 "Average Difference" HN 16 0.532 -0.250 0.485 26055 43 1 8 "Average Difference" N 7 2.140 -0.273 2.293 26055 44 1 8 "Average Difference" HA 16 0.390 -0.034 0.401 26055 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26055 46 1 8 "Average Difference" CA 16 2.240 -1.322 1.867 26055 47 1 8 "Average Difference" CB 6 2.998 -0.019 3.284 26055 48 1 8 "Average Difference" HN 16 0.463 -0.246 0.406 26055 49 1 9 "Average Difference" N 7 1.782 -0.524 1.839 26055 50 1 9 "Average Difference" HA 16 0.366 -0.052 0.375 26055 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26055 52 1 9 "Average Difference" CA 16 2.152 -1.131 1.891 26055 53 1 9 "Average Difference" CB 6 2.980 -0.105 3.262 26055 54 1 9 "Average Difference" HN 16 0.454 -0.226 0.407 26055 55 1 10 "Average Difference" N 7 2.535 -0.091 2.737 26055 56 1 10 "Average Difference" HA 16 0.333 0.002 0.344 26055 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26055 58 1 10 "Average Difference" CA 16 2.193 -1.325 1.804 26055 59 1 10 "Average Difference" CB 6 2.953 0.067 3.234 26055 60 1 10 "Average Difference" HN 16 0.529 -0.116 0.534 26055 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 26055 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY CA C 2 48.279 48.279 45.129 3.150 26055 2 1 . 1 1 2 2 GLY H H 2 8.688 8.688 8.037 0.651 26055 3 1 . 1 1 3 3 LEU HA H 3 4.227 4.227 4.191 0.036 26055 4 1 . 1 1 3 3 LEU CA C 3 57.806 57.806 57.446 0.360 26055 5 1 . 1 1 3 3 LEU CB C 3 41.755 41.755 41.838 -0.083 26055 6 1 . 1 1 3 3 LEU H H 3 8.198 8.198 8.347 -0.149 26055 7 1 . 1 1 4 4 ARG N N 4 119.462 119.462 118.517 0.945 26055 8 1 . 1 1 4 4 ARG HA H 4 4.025 4.025 4.271 -0.246 26055 9 1 . 1 1 4 4 ARG CA C 4 58.563 58.563 58.401 0.162 26055 10 1 . 1 1 4 4 ARG H H 4 8.153 8.153 8.519 -0.366 26055 11 1 . 1 1 5 5 SER N N 5 113.592 113.592 115.728 -2.136 26055 12 1 . 1 1 5 5 SER HA H 5 4.237 4.237 4.421 -0.184 26055 13 1 . 1 1 5 5 SER CA C 5 61.456 61.456 59.861 1.595 26055 14 1 . 1 1 5 5 SER H H 5 7.869 7.869 8.099 -0.230 26055 15 1 . 1 1 6 6 LEU HA H 6 3.970 3.970 4.010 -0.041 26055 16 1 . 1 1 6 6 LEU CA C 6 59.577 59.577 58.045 1.532 26055 17 1 . 1 1 6 6 LEU CB C 6 41.900 41.900 41.599 0.301 26055 18 1 . 1 1 6 6 LEU H H 6 8.182 8.182 7.401 0.781 26055 19 1 . 1 1 7 7 GLY N N 7 108.313 108.313 104.777 3.536 26055 20 1 . 1 1 7 7 GLY CA C 7 45.823 45.823 46.938 -1.115 26055 21 1 . 1 1 7 7 GLY H H 7 8.556 8.556 8.354 0.202 26055 22 1 . 1 1 8 8 ARG N N 8 122.142 122.142 120.731 1.411 26055 23 1 . 1 1 8 8 ARG HA H 8 3.972 3.972 4.284 -0.312 26055 24 1 . 1 1 8 8 ARG CA C 8 62.636 62.636 57.623 5.013 26055 25 1 . 1 1 8 8 ARG H H 8 7.869 7.869 7.898 -0.029 26055 26 1 . 1 1 9 9 LYS N N 9 121.621 121.621 121.469 0.151 26055 27 1 . 1 1 9 9 LYS HA H 9 4.129 4.129 4.132 -0.003 26055 28 1 . 1 1 9 9 LYS CA C 9 57.860 57.860 59.460 -1.599 26055 29 1 . 1 1 9 9 LYS CB C 9 27.397 27.397 32.494 -5.097 26055 30 1 . 1 1 9 9 LYS H H 9 8.449 8.449 8.102 0.347 26055 31 1 . 1 1 10 10 ILE HA H 10 3.723 3.723 3.810 -0.087 26055 32 1 . 1 1 10 10 ILE CA C 10 65.554 65.554 62.830 2.724 26055 33 1 . 1 1 10 10 ILE H H 10 8.222 8.222 7.993 0.229 26055 34 1 . 1 1 11 11 LEU HA H 11 4.181 4.181 4.009 0.172 26055 35 1 . 1 1 11 11 LEU CA C 11 57.649 57.649 57.393 0.256 26055 36 1 . 1 1 11 11 LEU CB C 11 41.883 41.883 41.485 0.398 26055 37 1 . 1 1 11 11 LEU H H 11 8.087 8.087 7.642 0.445 26055 38 1 . 1 1 12 12 ARG HA H 12 4.036 4.036 4.148 -0.112 26055 39 1 . 1 1 12 12 ARG CA C 12 59.229 59.229 56.383 2.846 26055 40 1 . 1 1 12 12 ARG CB C 12 29.444 29.444 30.208 -0.763 26055 41 1 . 1 1 12 12 ARG H H 12 8.106 8.106 7.531 0.575 26055 42 1 . 1 1 13 13 ALA N N 13 123.522 123.522 122.759 0.763 26055 43 1 . 1 1 13 13 ALA HA H 13 4.244 4.244 3.594 0.650 26055 44 1 . 1 1 13 13 ALA CA C 13 54.853 54.853 52.188 2.665 26055 45 1 . 1 1 13 13 ALA H H 13 8.052 8.052 7.349 0.703 26055 46 1 . 1 1 14 14 TRP N N 14 119.319 119.319 121.503 -2.184 26055 47 1 . 1 1 14 14 TRP HA H 14 4.062 4.062 4.339 -0.277 26055 48 1 . 1 1 14 14 TRP CA C 14 59.729 59.729 58.497 1.232 26055 49 1 . 1 1 14 14 TRP CB C 14 33.995 33.995 28.904 5.091 26055 50 1 . 1 1 14 14 TRP H H 14 7.772 7.772 7.583 0.189 26055 51 1 . 1 1 15 15 LYS HA H 15 3.871 3.871 4.393 -0.522 26055 52 1 . 1 1 15 15 LYS CA C 15 57.039 57.039 55.866 1.173 26055 53 1 . 1 1 15 15 LYS H H 15 8.190 8.190 7.865 0.324 26055 54 1 . 1 1 16 16 LYS HA H 16 4.022 4.022 3.746 0.277 26055 55 1 . 1 1 16 16 LYS CA C 16 57.979 57.979 56.452 1.527 26055 56 1 . 1 1 16 16 LYS H H 16 7.653 7.653 7.839 -0.186 26055 57 1 . 1 1 17 17 TYR HA H 17 4.528 4.528 4.245 0.283 26055 58 1 . 1 1 17 17 TYR CA C 17 57.388 57.388 59.192 -1.804 26055 59 1 . 1 1 17 17 TYR H H 17 7.947 7.947 8.130 -0.183 26055 stop_ save_