data_25186 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25186 _Entry.PDB_ID 2MTT 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 25186 _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 5 5 ASP N N 5 124.617 124.617 125.249 -0.632 25186 2 1 1 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.846 0.245 25186 3 1 1 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.940 -2.153 25186 4 1 1 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.015 1.207 25186 5 1 1 . 1 1 5 5 ASP H H 5 8.296 8.296 7.617 0.679 25186 6 1 1 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.417 -0.060 25186 7 1 1 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.243 0.433 25186 8 1 1 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.979 0.346 25186 9 1 1 . 1 1 7 7 ARG N N 7 116.037 116.037 116.823 -0.786 25186 10 1 1 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.292 -0.038 25186 11 1 1 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.462 1.161 25186 12 1 1 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.483 0.248 25186 13 1 1 . 1 1 7 7 ARG H H 7 8.528 8.528 8.221 0.307 25186 14 1 1 . 1 1 8 8 CYS N N 8 120.399 120.399 118.720 1.679 25186 15 1 1 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.217 0.146 25186 16 1 1 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.391 -4.826 25186 17 1 1 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.449 13.126 25186 18 1 1 . 1 1 8 8 CYS H H 8 7.957 7.957 7.525 0.432 25186 19 1 1 . 1 1 9 9 ARG N N 9 125.480 125.480 124.408 1.072 25186 20 1 1 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.120 -0.045 25186 21 1 1 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.439 -0.696 25186 22 1 1 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.714 -0.793 25186 23 1 1 . 1 1 9 9 ARG H H 9 8.552 8.552 8.803 -0.251 25186 24 1 1 . 1 1 10 10 TYR N N 10 117.831 117.831 116.088 1.743 25186 25 1 1 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.755 0.016 25186 26 1 1 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.063 -0.280 25186 27 1 1 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.832 -0.465 25186 28 1 1 . 1 1 10 10 TYR H H 10 7.339 7.339 7.465 -0.126 25186 29 1 2 . 1 1 5 5 ASP N N 5 124.617 124.617 124.542 0.075 25186 30 1 2 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.792 0.299 25186 31 1 2 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.821 -2.034 25186 32 1 2 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.348 0.874 25186 33 1 2 . 1 1 5 5 ASP H H 5 8.296 8.296 8.033 0.263 25186 34 1 2 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.441 -0.084 25186 35 1 2 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.380 0.295 25186 36 1 2 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.090 0.235 25186 37 1 2 . 1 1 7 7 ARG N N 7 116.037 116.037 117.242 -1.205 25186 38 1 2 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.365 -0.111 25186 39 1 2 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.421 1.201 25186 40 1 2 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.900 -0.169 25186 41 1 2 . 1 1 7 7 ARG H H 7 8.528 8.528 8.370 0.158 25186 42 1 2 . 1 1 8 8 CYS N N 8 120.399 120.399 119.121 1.278 25186 43 1 2 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.229 0.134 25186 44 1 2 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.332 -4.767 25186 45 1 2 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.479 13.097 25186 46 1 2 . 1 1 8 8 CYS H H 8 7.957 7.957 7.460 0.497 25186 47 1 2 . 1 1 9 9 ARG N N 9 125.480 125.480 125.755 -0.275 25186 48 1 2 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.118 -0.043 25186 49 1 2 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.930 -0.187 25186 50 1 2 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.537 -0.616 25186 51 1 2 . 1 1 9 9 ARG H H 9 8.552 8.552 8.784 -0.232 25186 52 1 2 . 1 1 10 10 TYR N N 10 117.831 117.831 116.971 0.860 25186 53 1 2 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.778 -0.007 25186 54 1 2 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.118 -0.335 25186 55 1 2 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.859 -0.492 25186 56 1 2 . 1 1 10 10 TYR H H 10 7.339 7.339 7.205 0.134 25186 57 1 3 . 1 1 5 5 ASP N N 5 124.617 124.617 123.316 1.301 25186 58 1 3 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.982 0.109 25186 59 1 3 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.888 -1.101 25186 60 1 3 . 1 1 5 5 ASP CB C 5 42.222 42.222 42.331 -0.109 25186 61 1 3 . 1 1 5 5 ASP H H 5 8.296 8.296 7.711 0.585 25186 62 1 3 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.358 -0.001 25186 63 1 3 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.332 0.343 25186 64 1 3 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.022 0.303 25186 65 1 3 . 1 1 7 7 ARG N N 7 116.037 116.037 116.864 -0.827 25186 66 1 3 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.216 0.038 25186 67 1 3 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.590 0.032 25186 68 1 3 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.938 -0.207 25186 69 1 3 . 1 1 7 7 ARG H H 7 8.528 8.528 8.073 0.455 25186 70 1 3 . 1 1 8 8 CYS N N 8 120.399 120.399 118.833 1.566 25186 71 1 3 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.284 0.079 25186 72 1 3 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.545 -3.980 25186 73 1 3 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.773 12.802 25186 74 1 3 . 1 1 8 8 CYS H H 8 7.957 7.957 7.587 0.370 25186 75 1 3 . 1 1 9 9 ARG N N 9 125.480 125.480 122.349 3.131 25186 76 1 3 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.094 -0.019 25186 77 1 3 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.443 -0.700 25186 78 1 3 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.541 -0.620 25186 79 1 3 . 1 1 9 9 ARG H H 9 8.552 8.552 8.643 -0.091 25186 80 1 3 . 1 1 10 10 TYR N N 10 117.831 117.831 116.709 1.122 25186 81 1 3 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.774 -0.003 25186 82 1 3 . 1 1 10 10 TYR CA C 10 55.783 55.783 55.855 -0.072 25186 83 1 3 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.730 -0.363 25186 84 1 3 . 1 1 10 10 TYR H H 10 7.339 7.339 7.212 0.127 25186 85 1 4 . 1 1 5 5 ASP N N 5 124.617 124.617 125.886 -1.269 25186 86 1 4 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.946 0.145 25186 87 1 4 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.347 -1.560 25186 88 1 4 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.788 0.434 25186 89 1 4 . 1 1 5 5 ASP H H 5 8.296 8.296 8.468 -0.172 25186 90 1 4 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.246 0.111 25186 91 1 4 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.208 0.467 25186 92 1 4 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.124 0.201 25186 93 1 4 . 1 1 7 7 ARG N N 7 116.037 116.037 117.213 -1.176 25186 94 1 4 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.324 -0.070 25186 95 1 4 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.912 0.710 25186 96 1 4 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.806 -0.075 25186 97 1 4 . 1 1 7 7 ARG H H 7 8.528 8.528 7.952 0.576 25186 98 1 4 . 1 1 8 8 CYS N N 8 120.399 120.399 118.844 1.555 25186 99 1 4 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.115 0.248 25186 100 1 4 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.947 -4.382 25186 101 1 4 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.072 13.504 25186 102 1 4 . 1 1 8 8 CYS H H 8 7.957 7.957 7.518 0.439 25186 103 1 4 . 1 1 9 9 ARG N N 9 125.480 125.480 126.046 -0.566 25186 104 1 4 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.122 -0.047 25186 105 1 4 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.174 -0.431 25186 106 1 4 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.613 -0.692 25186 107 1 4 . 1 1 9 9 ARG H H 9 8.552 8.552 8.727 -0.175 25186 108 1 4 . 1 1 10 10 TYR N N 10 117.831 117.831 115.479 2.352 25186 109 1 4 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.885 -0.114 25186 110 1 4 . 1 1 10 10 TYR CA C 10 55.783 55.783 55.898 -0.115 25186 111 1 4 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.751 -0.384 25186 112 1 4 . 1 1 10 10 TYR H H 10 7.339 7.339 7.068 0.271 25186 113 1 5 . 1 1 5 5 ASP N N 5 124.617 124.617 123.574 1.043 25186 114 1 5 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.943 0.148 25186 115 1 5 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.749 -0.962 25186 116 1 5 . 1 1 5 5 ASP CB C 5 42.222 42.222 42.547 -0.325 25186 117 1 5 . 1 1 5 5 ASP H H 5 8.296 8.296 7.879 0.417 25186 118 1 5 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.332 0.025 25186 119 1 5 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.459 0.216 25186 120 1 5 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.084 0.241 25186 121 1 5 . 1 1 7 7 ARG N N 7 116.037 116.037 118.786 -2.749 25186 122 1 5 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.291 -0.037 25186 123 1 5 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.239 1.383 25186 124 1 5 . 1 1 7 7 ARG CB C 7 29.731 29.731 28.730 1.000 25186 125 1 5 . 1 1 7 7 ARG H H 7 8.528 8.528 8.255 0.273 25186 126 1 5 . 1 1 8 8 CYS N N 8 120.399 120.399 119.409 0.990 25186 127 1 5 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.212 0.151 25186 128 1 5 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.718 -5.153 25186 129 1 5 . 1 1 8 8 CYS CB C 8 40.575 40.575 28.003 12.572 25186 130 1 5 . 1 1 8 8 CYS H H 8 7.957 7.957 8.363 -0.406 25186 131 1 5 . 1 1 9 9 ARG N N 9 125.480 125.480 123.990 1.490 25186 132 1 5 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.182 -0.107 25186 133 1 5 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.803 -0.060 25186 134 1 5 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.286 -0.365 25186 135 1 5 . 1 1 9 9 ARG H H 9 8.552 8.552 8.959 -0.407 25186 136 1 5 . 1 1 10 10 TYR N N 10 117.831 117.831 116.954 0.877 25186 137 1 5 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.741 0.030 25186 138 1 5 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.120 -0.337 25186 139 1 5 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.574 -0.207 25186 140 1 5 . 1 1 10 10 TYR H H 10 7.339 7.339 7.403 -0.064 25186 141 1 6 . 1 1 5 5 ASP N N 5 124.617 124.617 125.241 -0.624 25186 142 1 6 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.980 0.111 25186 143 1 6 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.626 -0.839 25186 144 1 6 . 1 1 5 5 ASP CB C 5 42.222 42.222 42.231 -0.009 25186 145 1 6 . 1 1 5 5 ASP H H 5 8.296 8.296 8.237 0.059 25186 146 1 6 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.307 0.050 25186 147 1 6 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.175 0.500 25186 148 1 6 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.249 0.076 25186 149 1 6 . 1 1 7 7 ARG N N 7 116.037 116.037 117.883 -1.846 25186 150 1 6 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.281 -0.027 25186 151 1 6 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.672 0.950 25186 152 1 6 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.556 0.175 25186 153 1 6 . 1 1 7 7 ARG H H 7 8.528 8.528 7.925 0.603 25186 154 1 6 . 1 1 8 8 CYS N N 8 120.399 120.399 119.318 1.081 25186 155 1 6 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.190 0.173 25186 156 1 6 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.873 -4.308 25186 157 1 6 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.319 13.256 25186 158 1 6 . 1 1 8 8 CYS H H 8 7.957 7.957 7.461 0.496 25186 159 1 6 . 1 1 9 9 ARG N N 9 125.480 125.480 125.435 0.045 25186 160 1 6 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.156 -0.081 25186 161 1 6 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.806 -0.063 25186 162 1 6 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.381 -0.460 25186 163 1 6 . 1 1 9 9 ARG H H 9 8.552 8.552 8.790 -0.238 25186 164 1 6 . 1 1 10 10 TYR N N 10 117.831 117.831 116.811 1.020 25186 165 1 6 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.888 -0.117 25186 166 1 6 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.171 -0.388 25186 167 1 6 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.650 -0.283 25186 168 1 6 . 1 1 10 10 TYR H H 10 7.339 7.339 7.146 0.193 25186 169 1 7 . 1 1 5 5 ASP N N 5 124.617 124.617 126.695 -2.078 25186 170 1 7 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.851 0.240 25186 171 1 7 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.603 -1.816 25186 172 1 7 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.405 0.817 25186 173 1 7 . 1 1 5 5 ASP H H 5 8.296 8.296 7.802 0.494 25186 174 1 7 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.315 0.042 25186 175 1 7 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.284 0.391 25186 176 1 7 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.854 0.471 25186 177 1 7 . 1 1 7 7 ARG N N 7 116.037 116.037 117.246 -1.209 25186 178 1 7 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.346 -0.092 25186 179 1 7 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.221 1.401 25186 180 1 7 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.512 0.219 25186 181 1 7 . 1 1 7 7 ARG H H 7 8.528 8.528 8.065 0.463 25186 182 1 7 . 1 1 8 8 CYS N N 8 120.399 120.399 119.920 0.479 25186 183 1 7 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.155 0.208 25186 184 1 7 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.769 -5.204 25186 185 1 7 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.357 13.218 25186 186 1 7 . 1 1 8 8 CYS H H 8 7.957 7.957 7.397 0.560 25186 187 1 7 . 1 1 9 9 ARG N N 9 125.480 125.480 124.398 1.082 25186 188 1 7 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.194 -0.119 25186 189 1 7 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.777 -0.034 25186 190 1 7 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.367 -0.446 25186 191 1 7 . 1 1 9 9 ARG H H 9 8.552 8.552 8.870 -0.318 25186 192 1 7 . 1 1 10 10 TYR N N 10 117.831 117.831 116.487 1.344 25186 193 1 7 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.768 0.003 25186 194 1 7 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.142 -0.359 25186 195 1 7 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.731 -0.364 25186 196 1 7 . 1 1 10 10 TYR H H 10 7.339 7.339 7.399 -0.060 25186 197 1 8 . 1 1 5 5 ASP N N 5 124.617 124.617 124.920 -0.303 25186 198 1 8 . 1 1 5 5 ASP HA H 5 5.091 5.091 5.018 0.073 25186 199 1 8 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.743 -0.956 25186 200 1 8 . 1 1 5 5 ASP CB C 5 42.222 42.222 42.334 -0.112 25186 201 1 8 . 1 1 5 5 ASP H H 5 8.296 8.296 8.185 0.111 25186 202 1 8 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.339 0.018 25186 203 1 8 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.100 0.575 25186 204 1 8 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.233 0.092 25186 205 1 8 . 1 1 7 7 ARG N N 7 116.037 116.037 117.686 -1.649 25186 206 1 8 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.301 -0.047 25186 207 1 8 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.947 0.675 25186 208 1 8 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.384 0.347 25186 209 1 8 . 1 1 7 7 ARG H H 7 8.528 8.528 7.963 0.565 25186 210 1 8 . 1 1 8 8 CYS N N 8 120.399 120.399 119.517 0.882 25186 211 1 8 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.253 0.110 25186 212 1 8 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.108 -4.543 25186 213 1 8 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.590 12.985 25186 214 1 8 . 1 1 8 8 CYS H H 8 7.957 7.957 8.213 -0.256 25186 215 1 8 . 1 1 9 9 ARG N N 9 125.480 125.480 124.811 0.669 25186 216 1 8 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.151 -0.076 25186 217 1 8 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.223 -0.480 25186 218 1 8 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.751 -0.830 25186 219 1 8 . 1 1 9 9 ARG H H 9 8.552 8.552 8.903 -0.351 25186 220 1 8 . 1 1 10 10 TYR N N 10 117.831 117.831 116.028 1.803 25186 221 1 8 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.727 0.044 25186 222 1 8 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.345 -0.562 25186 223 1 8 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.736 -0.369 25186 224 1 8 . 1 1 10 10 TYR H H 10 7.339 7.339 7.566 -0.227 25186 225 1 9 . 1 1 5 5 ASP N N 5 124.617 124.617 125.243 -0.626 25186 226 1 9 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.888 0.203 25186 227 1 9 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.138 -1.351 25186 228 1 9 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.742 0.480 25186 229 1 9 . 1 1 5 5 ASP H H 5 8.296 8.296 8.377 -0.081 25186 230 1 9 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.346 0.011 25186 231 1 9 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.488 0.187 25186 232 1 9 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.903 0.422 25186 233 1 9 . 1 1 7 7 ARG N N 7 116.037 116.037 116.454 -0.417 25186 234 1 9 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.371 -0.117 25186 235 1 9 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.463 1.159 25186 236 1 9 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.373 0.358 25186 237 1 9 . 1 1 7 7 ARG H H 7 8.528 8.528 8.111 0.417 25186 238 1 9 . 1 1 8 8 CYS N N 8 120.399 120.399 119.567 0.832 25186 239 1 9 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.230 0.133 25186 240 1 9 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.780 -4.215 25186 241 1 9 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.655 12.920 25186 242 1 9 . 1 1 8 8 CYS H H 8 7.957 7.957 7.610 0.347 25186 243 1 9 . 1 1 9 9 ARG N N 9 125.480 125.480 125.412 0.068 25186 244 1 9 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.150 -0.075 25186 245 1 9 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.215 -0.472 25186 246 1 9 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.783 -0.862 25186 247 1 9 . 1 1 9 9 ARG H H 9 8.552 8.552 8.935 -0.383 25186 248 1 9 . 1 1 10 10 TYR N N 10 117.831 117.831 115.913 1.918 25186 249 1 9 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.781 -0.010 25186 250 1 9 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.285 -0.502 25186 251 1 9 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.713 -0.346 25186 252 1 9 . 1 1 10 10 TYR H H 10 7.339 7.339 7.585 -0.246 25186 253 1 10 . 1 1 5 5 ASP N N 5 124.617 124.617 124.594 0.023 25186 254 1 10 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.971 0.120 25186 255 1 10 . 1 1 5 5 ASP CA C 5 50.787 50.787 53.194 -2.407 25186 256 1 10 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.277 0.945 25186 257 1 10 . 1 1 5 5 ASP H H 5 8.296 8.296 8.123 0.173 25186 258 1 10 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.333 0.024 25186 259 1 10 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.654 0.021 25186 260 1 10 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.054 0.271 25186 261 1 10 . 1 1 7 7 ARG N N 7 116.037 116.037 117.120 -1.083 25186 262 1 10 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.388 -0.134 25186 263 1 10 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.382 1.240 25186 264 1 10 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.655 0.076 25186 265 1 10 . 1 1 7 7 ARG H H 7 8.528 8.528 8.097 0.431 25186 266 1 10 . 1 1 8 8 CYS N N 8 120.399 120.399 119.035 1.364 25186 267 1 10 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.238 0.125 25186 268 1 10 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.739 -4.174 25186 269 1 10 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.632 12.943 25186 270 1 10 . 1 1 8 8 CYS H H 8 7.957 7.957 7.539 0.418 25186 271 1 10 . 1 1 9 9 ARG N N 9 125.480 125.480 125.910 -0.430 25186 272 1 10 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.134 -0.059 25186 273 1 10 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.905 -0.162 25186 274 1 10 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.497 -0.576 25186 275 1 10 . 1 1 9 9 ARG H H 9 8.552 8.552 8.830 -0.278 25186 276 1 10 . 1 1 10 10 TYR N N 10 117.831 117.831 116.877 0.954 25186 277 1 10 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.763 0.008 25186 278 1 10 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.377 -0.594 25186 279 1 10 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.602 -0.235 25186 280 1 10 . 1 1 10 10 TYR H H 10 7.339 7.339 7.190 0.149 25186 281 1 11 . 1 1 5 5 ASP N N 5 124.617 124.617 124.959 -0.342 25186 282 1 11 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.790 0.301 25186 283 1 11 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.744 -1.957 25186 284 1 11 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.270 0.952 25186 285 1 11 . 1 1 5 5 ASP H H 5 8.296 8.296 7.663 0.633 25186 286 1 11 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.411 -0.054 25186 287 1 11 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.249 0.426 25186 288 1 11 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.993 0.332 25186 289 1 11 . 1 1 7 7 ARG N N 7 116.037 116.037 116.929 -0.892 25186 290 1 11 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.257 -0.003 25186 291 1 11 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.692 0.930 25186 292 1 11 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.633 0.099 25186 293 1 11 . 1 1 7 7 ARG H H 7 8.528 8.528 8.226 0.302 25186 294 1 11 . 1 1 8 8 CYS N N 8 120.399 120.399 118.516 1.883 25186 295 1 11 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.202 0.161 25186 296 1 11 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.468 -4.903 25186 297 1 11 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.335 13.240 25186 298 1 11 . 1 1 8 8 CYS H H 8 7.957 7.957 7.515 0.442 25186 299 1 11 . 1 1 9 9 ARG N N 9 125.480 125.480 124.492 0.988 25186 300 1 11 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.115 -0.040 25186 301 1 11 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.421 -0.678 25186 302 1 11 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.716 -0.795 25186 303 1 11 . 1 1 9 9 ARG H H 9 8.552 8.552 8.790 -0.238 25186 304 1 11 . 1 1 10 10 TYR N N 10 117.831 117.831 115.818 2.013 25186 305 1 11 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.753 0.018 25186 306 1 11 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.085 -0.302 25186 307 1 11 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.811 -0.444 25186 308 1 11 . 1 1 10 10 TYR H H 10 7.339 7.339 7.441 -0.102 25186 309 1 12 . 1 1 5 5 ASP N N 5 124.617 124.617 123.719 0.898 25186 310 1 12 . 1 1 5 5 ASP HA H 5 5.091 5.091 5.025 0.066 25186 311 1 12 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.793 -1.006 25186 312 1 12 . 1 1 5 5 ASP CB C 5 42.222 42.222 42.166 0.056 25186 313 1 12 . 1 1 5 5 ASP H H 5 8.296 8.296 7.739 0.557 25186 314 1 12 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.355 0.002 25186 315 1 12 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.226 0.449 25186 316 1 12 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.982 0.343 25186 317 1 12 . 1 1 7 7 ARG N N 7 116.037 116.037 117.046 -1.009 25186 318 1 12 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.226 0.028 25186 319 1 12 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.282 0.340 25186 320 1 12 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.651 0.080 25186 321 1 12 . 1 1 7 7 ARG H H 7 8.528 8.528 8.100 0.428 25186 322 1 12 . 1 1 8 8 CYS N N 8 120.399 120.399 118.785 1.614 25186 323 1 12 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.275 0.088 25186 324 1 12 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.658 -4.093 25186 325 1 12 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.778 12.797 25186 326 1 12 . 1 1 8 8 CYS H H 8 7.957 7.957 7.559 0.398 25186 327 1 12 . 1 1 9 9 ARG N N 9 125.480 125.480 122.761 2.719 25186 328 1 12 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.098 -0.023 25186 329 1 12 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.432 -0.689 25186 330 1 12 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.559 -0.638 25186 331 1 12 . 1 1 9 9 ARG H H 9 8.552 8.552 8.672 -0.120 25186 332 1 12 . 1 1 10 10 TYR N N 10 117.831 117.831 116.581 1.250 25186 333 1 12 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.766 0.005 25186 334 1 12 . 1 1 10 10 TYR CA C 10 55.783 55.783 55.492 0.291 25186 335 1 12 . 1 1 10 10 TYR CB C 10 39.367 39.367 40.025 -0.658 25186 336 1 12 . 1 1 10 10 TYR H H 10 7.339 7.339 7.213 0.126 25186 337 1 13 . 1 1 5 5 ASP N N 5 124.617 124.617 125.784 -1.167 25186 338 1 13 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.852 0.239 25186 339 1 13 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.864 -2.077 25186 340 1 13 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.156 1.066 25186 341 1 13 . 1 1 5 5 ASP H H 5 8.296 8.296 7.749 0.547 25186 342 1 13 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.426 -0.069 25186 343 1 13 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.311 0.364 25186 344 1 13 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.994 0.331 25186 345 1 13 . 1 1 7 7 ARG N N 7 116.037 116.037 116.966 -0.929 25186 346 1 13 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.234 0.020 25186 347 1 13 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.991 0.631 25186 348 1 13 . 1 1 7 7 ARG CB C 7 29.731 29.731 30.000 -0.269 25186 349 1 13 . 1 1 7 7 ARG H H 7 8.528 8.528 8.175 0.353 25186 350 1 13 . 1 1 8 8 CYS N N 8 120.399 120.399 117.993 2.406 25186 351 1 13 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.174 0.189 25186 352 1 13 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.465 -4.900 25186 353 1 13 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.338 13.236 25186 354 1 13 . 1 1 8 8 CYS H H 8 7.957 7.957 7.527 0.430 25186 355 1 13 . 1 1 9 9 ARG N N 9 125.480 125.480 124.194 1.286 25186 356 1 13 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.155 -0.080 25186 357 1 13 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.070 -0.327 25186 358 1 13 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.558 -0.637 25186 359 1 13 . 1 1 9 9 ARG H H 9 8.552 8.552 8.822 -0.270 25186 360 1 13 . 1 1 10 10 TYR N N 10 117.831 117.831 116.514 1.317 25186 361 1 13 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.758 0.013 25186 362 1 13 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.134 -0.351 25186 363 1 13 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.754 -0.387 25186 364 1 13 . 1 1 10 10 TYR H H 10 7.339 7.339 7.489 -0.150 25186 365 1 14 . 1 1 5 5 ASP N N 5 124.617 124.617 124.847 -0.230 25186 366 1 14 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.762 0.329 25186 367 1 14 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.853 -2.066 25186 368 1 14 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.252 0.970 25186 369 1 14 . 1 1 5 5 ASP H H 5 8.296 8.296 8.041 0.255 25186 370 1 14 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.397 -0.040 25186 371 1 14 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.630 0.045 25186 372 1 14 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.847 0.478 25186 373 1 14 . 1 1 7 7 ARG N N 7 116.037 116.037 115.967 0.070 25186 374 1 14 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.468 -0.214 25186 375 1 14 . 1 1 7 7 ARG CA C 7 56.622 56.622 54.398 2.224 25186 376 1 14 . 1 1 7 7 ARG CB C 7 29.731 29.731 28.878 0.853 25186 377 1 14 . 1 1 7 7 ARG H H 7 8.528 8.528 7.986 0.542 25186 378 1 14 . 1 1 8 8 CYS N N 8 120.399 120.399 119.689 0.710 25186 379 1 14 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.215 0.148 25186 380 1 14 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.846 -4.281 25186 381 1 14 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.563 13.012 25186 382 1 14 . 1 1 8 8 CYS H H 8 7.957 7.957 7.539 0.418 25186 383 1 14 . 1 1 9 9 ARG N N 9 125.480 125.480 125.784 -0.304 25186 384 1 14 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.082 -0.007 25186 385 1 14 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.410 -0.667 25186 386 1 14 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.637 -0.716 25186 387 1 14 . 1 1 9 9 ARG H H 9 8.552 8.552 8.759 -0.207 25186 388 1 14 . 1 1 10 10 TYR N N 10 117.831 117.831 116.377 1.454 25186 389 1 14 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.775 -0.004 25186 390 1 14 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.306 -0.523 25186 391 1 14 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.889 -0.522 25186 392 1 14 . 1 1 10 10 TYR H H 10 7.339 7.339 7.150 0.189 25186 393 1 15 . 1 1 5 5 ASP N N 5 124.617 124.617 126.396 -1.779 25186 394 1 15 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.947 0.144 25186 395 1 15 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.420 -1.633 25186 396 1 15 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.528 0.694 25186 397 1 15 . 1 1 5 5 ASP H H 5 8.296 8.296 7.741 0.555 25186 398 1 15 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.273 0.084 25186 399 1 15 . 1 1 6 6 PRO CA C 6 64.675 64.675 63.759 0.916 25186 400 1 15 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.039 0.286 25186 401 1 15 . 1 1 7 7 ARG N N 7 116.037 116.037 117.196 -1.159 25186 402 1 15 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.272 -0.018 25186 403 1 15 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.266 0.357 25186 404 1 15 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.595 0.136 25186 405 1 15 . 1 1 7 7 ARG H H 7 8.528 8.528 8.022 0.506 25186 406 1 15 . 1 1 8 8 CYS N N 8 120.399 120.399 120.115 0.284 25186 407 1 15 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.181 0.182 25186 408 1 15 . 1 1 8 8 CYS CA C 8 55.565 55.565 58.862 -3.297 25186 409 1 15 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.697 12.878 25186 410 1 15 . 1 1 8 8 CYS H H 8 7.957 7.957 7.551 0.406 25186 411 1 15 . 1 1 9 9 ARG N N 9 125.480 125.480 126.330 -0.850 25186 412 1 15 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.115 -0.040 25186 413 1 15 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.185 0.557 25186 414 1 15 . 1 1 9 9 ARG CB C 9 29.921 29.921 29.497 0.424 25186 415 1 15 . 1 1 9 9 ARG H H 9 8.552 8.552 8.560 -0.008 25186 416 1 15 . 1 1 10 10 TYR N N 10 117.831 117.831 116.719 1.112 25186 417 1 15 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.785 -0.014 25186 418 1 15 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.030 -0.247 25186 419 1 15 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.824 -0.457 25186 420 1 15 . 1 1 10 10 TYR H H 10 7.339 7.339 7.024 0.315 25186 421 1 16 . 1 1 5 5 ASP N N 5 124.617 124.617 123.649 0.968 25186 422 1 16 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.817 0.274 25186 423 1 16 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.481 -1.694 25186 424 1 16 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.229 0.993 25186 425 1 16 . 1 1 5 5 ASP H H 5 8.296 8.296 7.991 0.305 25186 426 1 16 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.269 0.088 25186 427 1 16 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.149 0.526 25186 428 1 16 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.985 0.340 25186 429 1 16 . 1 1 7 7 ARG N N 7 116.037 116.037 118.103 -2.066 25186 430 1 16 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.285 -0.031 25186 431 1 16 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.705 -0.083 25186 432 1 16 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.926 -0.195 25186 433 1 16 . 1 1 7 7 ARG H H 7 8.528 8.528 7.863 0.665 25186 434 1 16 . 1 1 8 8 CYS N N 8 120.399 120.399 118.616 1.783 25186 435 1 16 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.235 0.128 25186 436 1 16 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.709 -5.144 25186 437 1 16 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.587 12.988 25186 438 1 16 . 1 1 8 8 CYS H H 8 7.957 7.957 8.625 -0.668 25186 439 1 16 . 1 1 9 9 ARG N N 9 125.480 125.480 124.676 0.804 25186 440 1 16 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.188 -0.113 25186 441 1 16 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.806 -0.063 25186 442 1 16 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.373 -0.452 25186 443 1 16 . 1 1 9 9 ARG H H 9 8.552 8.552 8.912 -0.360 25186 444 1 16 . 1 1 10 10 TYR N N 10 117.831 117.831 115.505 2.326 25186 445 1 16 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.810 -0.039 25186 446 1 16 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.301 -0.518 25186 447 1 16 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.620 -0.253 25186 448 1 16 . 1 1 10 10 TYR H H 10 7.339 7.339 7.391 -0.052 25186 449 1 17 . 1 1 5 5 ASP N N 5 124.617 124.617 124.735 -0.118 25186 450 1 17 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.801 0.290 25186 451 1 17 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.202 -1.415 25186 452 1 17 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.889 0.333 25186 453 1 17 . 1 1 5 5 ASP H H 5 8.296 8.296 7.782 0.514 25186 454 1 17 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.257 0.100 25186 455 1 17 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.206 0.469 25186 456 1 17 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.007 0.318 25186 457 1 17 . 1 1 7 7 ARG N N 7 116.037 116.037 118.110 -2.073 25186 458 1 17 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.250 0.004 25186 459 1 17 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.268 0.354 25186 460 1 17 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.807 -0.076 25186 461 1 17 . 1 1 7 7 ARG H H 7 8.528 8.528 7.959 0.569 25186 462 1 17 . 1 1 8 8 CYS N N 8 120.399 120.399 118.462 1.937 25186 463 1 17 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.144 0.219 25186 464 1 17 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.629 -5.064 25186 465 1 17 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.662 12.913 25186 466 1 17 . 1 1 8 8 CYS H H 8 7.957 7.957 8.234 -0.277 25186 467 1 17 . 1 1 9 9 ARG N N 9 125.480 125.480 123.582 1.898 25186 468 1 17 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.148 -0.073 25186 469 1 17 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.994 -0.251 25186 470 1 17 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.477 -0.556 25186 471 1 17 . 1 1 9 9 ARG H H 9 8.552 8.552 8.840 -0.288 25186 472 1 17 . 1 1 10 10 TYR N N 10 117.831 117.831 116.296 1.535 25186 473 1 17 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.804 -0.033 25186 474 1 17 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.074 -0.291 25186 475 1 17 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.587 -0.220 25186 476 1 17 . 1 1 10 10 TYR H H 10 7.339 7.339 7.439 -0.100 25186 477 1 18 . 1 1 5 5 ASP N N 5 124.617 124.617 124.228 0.389 25186 478 1 18 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.996 0.095 25186 479 1 18 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.797 -1.010 25186 480 1 18 . 1 1 5 5 ASP CB C 5 42.222 42.222 43.050 -0.828 25186 481 1 18 . 1 1 5 5 ASP H H 5 8.296 8.296 8.030 0.266 25186 482 1 18 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.291 0.066 25186 483 1 18 . 1 1 6 6 PRO CA C 6 64.675 64.675 63.782 0.893 25186 484 1 18 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.211 0.114 25186 485 1 18 . 1 1 7 7 ARG N N 7 116.037 116.037 117.423 -1.386 25186 486 1 18 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.248 0.006 25186 487 1 18 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.622 -0.000 25186 488 1 18 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.632 0.099 25186 489 1 18 . 1 1 7 7 ARG H H 7 8.528 8.528 8.084 0.444 25186 490 1 18 . 1 1 8 8 CYS N N 8 120.399 120.399 120.305 0.094 25186 491 1 18 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.273 0.090 25186 492 1 18 . 1 1 8 8 CYS CA C 8 55.565 55.565 58.665 -3.100 25186 493 1 18 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.558 13.017 25186 494 1 18 . 1 1 8 8 CYS H H 8 7.957 7.957 7.624 0.333 25186 495 1 18 . 1 1 9 9 ARG N N 9 125.480 125.480 124.545 0.935 25186 496 1 18 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.076 -0.001 25186 497 1 18 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.946 -0.203 25186 498 1 18 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.410 -0.489 25186 499 1 18 . 1 1 9 9 ARG H H 9 8.552 8.552 8.460 0.092 25186 500 1 18 . 1 1 10 10 TYR N N 10 117.831 117.831 117.701 0.130 25186 501 1 18 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.747 0.024 25186 502 1 18 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.256 -0.473 25186 503 1 18 . 1 1 10 10 TYR CB C 10 39.367 39.367 40.038 -0.670 25186 504 1 18 . 1 1 10 10 TYR H H 10 7.339 7.339 7.002 0.337 25186 505 1 19 . 1 1 5 5 ASP N N 5 124.617 124.617 124.190 0.427 25186 506 1 19 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.893 0.198 25186 507 1 19 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.698 -1.911 25186 508 1 19 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.783 0.439 25186 509 1 19 . 1 1 5 5 ASP H H 5 8.296 8.296 8.230 0.066 25186 510 1 19 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.355 0.002 25186 511 1 19 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.502 0.173 25186 512 1 19 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.741 0.584 25186 513 1 19 . 1 1 7 7 ARG N N 7 116.037 116.037 116.267 -0.230 25186 514 1 19 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.332 -0.078 25186 515 1 19 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.639 0.983 25186 516 1 19 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.468 0.263 25186 517 1 19 . 1 1 7 7 ARG H H 7 8.528 8.528 8.007 0.521 25186 518 1 19 . 1 1 8 8 CYS N N 8 120.399 120.399 118.771 1.628 25186 519 1 19 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.164 0.199 25186 520 1 19 . 1 1 8 8 CYS CA C 8 55.565 55.565 61.164 -5.599 25186 521 1 19 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.603 12.972 25186 522 1 19 . 1 1 8 8 CYS H H 8 7.957 7.957 7.630 0.327 25186 523 1 19 . 1 1 9 9 ARG N N 9 125.480 125.480 122.869 2.611 25186 524 1 19 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.141 -0.066 25186 525 1 19 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.982 -0.239 25186 526 1 19 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.605 -0.684 25186 527 1 19 . 1 1 9 9 ARG H H 9 8.552 8.552 8.805 -0.253 25186 528 1 19 . 1 1 10 10 TYR N N 10 117.831 117.831 114.808 3.023 25186 529 1 19 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.711 0.060 25186 530 1 19 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.104 -0.321 25186 531 1 19 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.267 0.100 25186 532 1 19 . 1 1 10 10 TYR H H 10 7.339 7.339 7.355 -0.016 25186 533 1 20 . 1 1 5 5 ASP N N 5 124.617 124.617 124.458 0.159 25186 534 1 20 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.916 0.175 25186 535 1 20 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.752 -1.965 25186 536 1 20 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.445 0.777 25186 537 1 20 . 1 1 5 5 ASP H H 5 8.296 8.296 7.590 0.706 25186 538 1 20 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.265 0.092 25186 539 1 20 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.282 0.393 25186 540 1 20 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.126 0.199 25186 541 1 20 . 1 1 7 7 ARG N N 7 116.037 116.037 116.482 -0.445 25186 542 1 20 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.173 0.081 25186 543 1 20 . 1 1 7 7 ARG CA C 7 56.622 56.622 57.130 -0.508 25186 544 1 20 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.188 0.543 25186 545 1 20 . 1 1 7 7 ARG H H 7 8.528 8.528 8.171 0.357 25186 546 1 20 . 1 1 8 8 CYS N N 8 120.399 120.399 120.412 -0.013 25186 547 1 20 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.377 -0.014 25186 548 1 20 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.716 -4.151 25186 549 1 20 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.646 12.929 25186 550 1 20 . 1 1 8 8 CYS H H 8 7.957 7.957 7.674 0.283 25186 551 1 20 . 1 1 9 9 ARG N N 9 125.480 125.480 124.378 1.102 25186 552 1 20 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.108 -0.033 25186 553 1 20 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.425 0.318 25186 554 1 20 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.477 -0.556 25186 555 1 20 . 1 1 9 9 ARG H H 9 8.552 8.552 8.672 -0.120 25186 556 1 20 . 1 1 10 10 TYR N N 10 117.831 117.831 114.522 3.309 25186 557 1 20 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.829 -0.058 25186 558 1 20 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.081 -0.298 25186 559 1 20 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.620 -0.253 25186 560 1 20 . 1 1 10 10 TYR H H 10 7.339 7.339 7.191 0.148 25186 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 5 1.267 -0.615 1.238 25186 2 1 1 "Average Difference" HA 6 0.121 -0.044 0.124 25186 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25186 4 1 1 "Average Difference" CA 6 2.237 1.060 2.158 25186 5 1 1 "Average Difference" CB 6 5.397 -2.278 5.360 25186 6 1 1 "Average Difference" HN 5 0.405 -0.208 0.389 25186 7 1 2 "Average Difference" N 5 0.884 -0.147 0.975 25186 8 1 2 "Average Difference" HA 6 0.146 -0.031 0.157 25186 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25186 10 1 2 "Average Difference" CA 6 2.181 0.971 2.139 25186 11 1 2 "Average Difference" CB 6 5.369 -2.155 5.388 25186 12 1 2 "Average Difference" HN 5 0.287 -0.164 0.264 25186 13 1 3 "Average Difference" N 5 1.783 -1.259 1.412 25186 14 1 3 "Average Difference" HA 6 0.057 -0.034 0.051 25186 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25186 16 1 3 "Average Difference" CA 6 1.716 0.913 1.592 25186 17 1 3 "Average Difference" CB 6 5.237 -1.968 5.316 25186 18 1 3 "Average Difference" HN 5 0.377 -0.289 0.271 25186 19 1 4 "Average Difference" N 5 1.501 -0.179 1.666 25186 20 1 4 "Average Difference" HA 6 0.139 -0.046 0.143 25186 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25186 22 1 4 "Average Difference" CA 6 1.939 0.885 1.890 25186 23 1 4 "Average Difference" CB 6 5.526 -2.165 5.569 25186 24 1 4 "Average Difference" HN 5 0.363 -0.188 0.347 25186 25 1 5 "Average Difference" N 5 1.588 -0.330 1.737 25186 26 1 5 "Average Difference" HA 6 0.099 -0.035 0.102 25186 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25186 28 1 5 "Average Difference" CA 6 2.219 0.819 2.260 25186 29 1 5 "Average Difference" CB 6 5.154 -2.153 5.130 25186 30 1 5 "Average Difference" HN 5 0.341 0.037 0.379 25186 31 1 6 "Average Difference" N 5 1.096 0.065 1.223 25186 32 1 6 "Average Difference" HA 6 0.105 -0.018 0.113 25186 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25186 34 1 6 "Average Difference" CA 6 1.852 0.691 1.882 25186 35 1 6 "Average Difference" CB 6 5.417 -2.126 5.458 25186 36 1 6 "Average Difference" HN 5 0.376 -0.223 0.339 25186 37 1 7 "Average Difference" N 5 1.341 0.076 1.496 25186 38 1 7 "Average Difference" HA 6 0.145 -0.047 0.150 25186 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25186 40 1 7 "Average Difference" CA 6 2.332 0.937 2.339 25186 41 1 7 "Average Difference" CB 6 5.416 -2.319 5.361 25186 42 1 7 "Average Difference" HN 5 0.419 -0.228 0.393 25186 43 1 8 "Average Difference" N 5 1.207 -0.280 1.313 25186 44 1 8 "Average Difference" HA 6 0.068 -0.020 0.071 25186 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25186 46 1 8 "Average Difference" CA 6 1.953 0.882 1.909 25186 47 1 8 "Average Difference" CB 6 5.316 -2.019 5.387 25186 48 1 8 "Average Difference" HN 5 0.338 0.032 0.377 25186 49 1 9 "Average Difference" N 5 0.994 -0.355 1.038 25186 50 1 9 "Average Difference" HA 6 0.114 -0.024 0.122 25186 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25186 52 1 9 "Average Difference" CA 6 1.890 0.866 1.841 25186 53 1 9 "Average Difference" CB 6 5.297 -2.162 5.297 25186 54 1 9 "Average Difference" HN 5 0.319 -0.011 0.356 25186 55 1 10 "Average Difference" N 5 0.909 -0.166 0.999 25186 56 1 10 "Average Difference" HA 6 0.093 -0.014 0.101 25186 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25186 58 1 10 "Average Difference" CA 6 2.047 1.013 1.948 25186 59 1 10 "Average Difference" CB 6 5.305 -2.237 5.270 25186 60 1 10 "Average Difference" HN 5 0.313 -0.179 0.287 25186 61 1 11 "Average Difference" N 5 1.377 -0.730 1.306 25186 62 1 11 "Average Difference" HA 6 0.142 -0.064 0.139 25186 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25186 64 1 11 "Average Difference" CA 6 2.216 1.081 2.119 25186 65 1 11 "Average Difference" CB 6 5.434 -2.231 5.428 25186 66 1 11 "Average Difference" HN 5 0.389 -0.207 0.367 25186 67 1 12 "Average Difference" N 5 1.636 -1.094 1.360 25186 68 1 12 "Average Difference" HA 6 0.048 -0.028 0.042 25186 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25186 70 1 12 "Average Difference" CA 6 1.763 0.784 1.729 25186 71 1 12 "Average Difference" CB 6 5.240 -1.997 5.307 25186 72 1 12 "Average Difference" HN 5 0.370 -0.278 0.272 25186 73 1 13 "Average Difference" N 5 1.510 -0.583 1.558 25186 74 1 13 "Average Difference" HA 6 0.132 -0.052 0.133 25186 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25186 76 1 13 "Average Difference" CA 6 2.202 1.110 2.083 25186 77 1 13 "Average Difference" CB 6 5.433 -2.223 5.430 25186 78 1 13 "Average Difference" HN 5 0.375 -0.182 0.367 25186 79 1 14 "Average Difference" N 5 0.744 -0.340 0.740 25186 80 1 14 "Average Difference" HA 6 0.172 -0.035 0.184 25186 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25186 82 1 14 "Average Difference" CA 6 2.170 0.878 2.174 25186 83 1 14 "Average Difference" CB 6 5.354 -2.346 5.272 25186 84 1 14 "Average Difference" HN 5 0.350 -0.240 0.285 25186 85 1 15 "Average Difference" N 5 1.144 0.478 1.162 25186 86 1 15 "Average Difference" HA 6 0.103 -0.056 0.094 25186 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25186 88 1 15 "Average Difference" CA 6 1.574 0.558 1.613 25186 89 1 15 "Average Difference" CB 6 5.273 -2.327 5.183 25186 90 1 15 "Average Difference" HN 5 0.407 -0.355 0.223 25186 91 1 16 "Average Difference" N 5 1.699 -0.763 1.698 25186 92 1 16 "Average Difference" HA 6 0.138 -0.051 0.141 25186 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25186 94 1 16 "Average Difference" CA 6 2.232 1.163 2.087 25186 95 1 16 "Average Difference" CB 6 5.324 -2.237 5.293 25186 96 1 16 "Average Difference" HN 5 0.472 0.022 0.527 25186 97 1 17 "Average Difference" N 5 1.675 -0.636 1.732 25186 98 1 17 "Average Difference" HA 6 0.157 -0.084 0.145 25186 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25186 100 1 17 "Average Difference" CA 6 2.166 1.033 2.085 25186 101 1 17 "Average Difference" CB 6 5.281 -2.119 5.299 25186 102 1 17 "Average Difference" HN 5 0.389 -0.084 0.425 25186 103 1 18 "Average Difference" N 5 0.771 -0.032 0.861 25186 104 1 18 "Average Difference" HA 6 0.061 -0.047 0.043 25186 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25186 106 1 18 "Average Difference" CA 6 1.396 0.649 1.354 25186 107 1 18 "Average Difference" CB 6 5.336 -1.874 5.473 25186 108 1 18 "Average Difference" HN 5 0.316 -0.294 0.130 25186 109 1 19 "Average Difference" N 5 1.941 -1.492 1.389 25186 110 1 19 "Average Difference" HA 6 0.125 -0.052 0.124 25186 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25186 112 1 19 "Average Difference" CA 6 2.455 1.152 2.374 25186 113 1 19 "Average Difference" CB 6 5.313 -2.279 5.257 25186 114 1 19 "Average Difference" HN 5 0.299 -0.129 0.302 25186 115 1 20 "Average Difference" N 5 1.574 -0.822 1.500 25186 116 1 20 "Average Difference" HA 6 0.092 -0.041 0.090 25186 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25186 118 1 20 "Average Difference" CA 6 1.902 1.035 1.747 25186 119 1 20 "Average Difference" CB 6 5.299 -2.273 5.243 25186 120 1 20 "Average Difference" HN 5 0.385 -0.275 0.302 25186 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 25186 _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 5 5 ASP N N 5 124.617 124.617 124.811 -0.194 25186 2 1 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.901 0.190 25186 3 1 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.383 -1.596 25186 4 1 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.739 0.483 25186 5 1 . 1 1 5 5 ASP H H 5 8.296 8.296 7.949 0.347 25186 6 1 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.337 0.020 25186 7 1 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.271 0.404 25186 8 1 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.026 0.299 25186 9 1 . 1 1 7 7 ARG N N 7 116.037 116.037 117.190 -1.153 25186 10 1 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.296 -0.042 25186 11 1 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.865 0.757 25186 12 1 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.556 0.175 25186 13 1 . 1 1 7 7 ARG H H 7 8.528 8.528 8.081 0.447 25186 14 1 . 1 1 8 8 CYS N N 8 120.399 120.399 119.197 1.202 25186 15 1 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.218 0.145 25186 16 1 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.069 -4.504 25186 17 1 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.555 13.020 25186 18 1 . 1 1 8 8 CYS H H 8 7.957 7.957 7.708 0.249 25186 19 1 . 1 1 9 9 ARG N N 9 125.480 125.480 124.606 0.874 25186 20 1 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.132 -0.057 25186 21 1 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.019 -0.276 25186 22 1 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.489 -0.568 25186 23 1 . 1 1 9 9 ARG H H 9 8.552 8.552 8.777 -0.225 25186 24 1 . 1 1 10 10 TYR N N 10 117.831 117.831 116.258 1.573 25186 25 1 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.780 -0.009 25186 26 1 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.112 -0.329 25186 27 1 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.731 -0.364 25186 28 1 . 1 1 10 10 TYR H H 10 7.339 7.339 7.297 0.042 25186 stop_ save_