data_18964 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18964 _Entry.PDB_ID 2M3I 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 18964 _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 CYS HA H 2 4.661 4.661 4.457 0.204 18964 2 1 1 . 1 1 2 2 CYS H H 2 9.010 9.010 8.771 0.239 18964 3 1 1 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.322 0.283 18964 4 1 1 . 1 1 3 3 CYS H H 3 8.555 8.555 8.814 -0.259 18964 5 1 1 . 1 1 4 4 SER HA H 4 4.506 4.506 4.570 -0.064 18964 6 1 1 . 1 1 4 4 SER H H 4 7.895 7.895 7.642 0.253 18964 7 1 1 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.961 0.219 18964 8 1 1 . 1 1 5 5 HIS H H 5 8.208 8.208 7.901 0.307 18964 9 1 1 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.939 0.414 18964 10 1 1 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.680 0.287 18964 11 1 1 . 1 1 7 7 VAL H H 7 7.801 7.801 7.804 -0.003 18964 12 1 1 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.264 0.033 18964 13 1 1 . 1 1 8 8 CYS H H 8 8.039 8.039 8.121 -0.082 18964 14 1 1 . 1 1 9 9 SER HA H 9 4.371 4.371 4.218 0.153 18964 15 1 1 . 1 1 9 9 SER H H 9 8.554 8.554 8.230 0.324 18964 16 1 1 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.263 -0.002 18964 17 1 1 . 1 1 10 10 ALA H H 10 7.636 7.636 7.650 -0.014 18964 18 1 1 . 1 1 11 11 MET HA H 11 4.597 4.597 4.416 0.181 18964 19 1 1 . 1 1 11 11 MET H H 11 7.628 7.628 7.421 0.207 18964 20 1 1 . 1 1 12 12 SER HA H 12 5.066 5.066 4.927 0.139 18964 21 1 1 . 1 1 12 12 SER H H 12 7.577 7.577 7.874 -0.297 18964 22 1 1 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.785 -0.290 18964 23 1 1 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.149 0.037 18964 24 1 1 . 1 1 14 14 ILE H H 14 7.420 7.420 8.196 -0.776 18964 25 1 2 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.553 0.108 18964 26 1 2 . 1 1 2 2 CYS H H 2 9.010 9.010 8.682 0.328 18964 27 1 2 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.435 0.170 18964 28 1 2 . 1 1 3 3 CYS H H 3 8.555 8.555 8.778 -0.223 18964 29 1 2 . 1 1 4 4 SER HA H 4 4.506 4.506 4.610 -0.104 18964 30 1 2 . 1 1 4 4 SER H H 4 7.895 7.895 7.632 0.263 18964 31 1 2 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.948 0.232 18964 32 1 2 . 1 1 5 5 HIS H H 5 8.208 8.208 7.817 0.391 18964 33 1 2 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.993 0.360 18964 34 1 2 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.605 0.362 18964 35 1 2 . 1 1 7 7 VAL H H 7 7.801 7.801 7.532 0.269 18964 36 1 2 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.288 0.009 18964 37 1 2 . 1 1 8 8 CYS H H 8 8.039 8.039 8.116 -0.077 18964 38 1 2 . 1 1 9 9 SER HA H 9 4.371 4.371 4.205 0.166 18964 39 1 2 . 1 1 9 9 SER H H 9 8.554 8.554 8.365 0.189 18964 40 1 2 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.246 0.015 18964 41 1 2 . 1 1 10 10 ALA H H 10 7.636 7.636 8.035 -0.399 18964 42 1 2 . 1 1 11 11 MET HA H 11 4.597 4.597 4.197 0.400 18964 43 1 2 . 1 1 11 11 MET H H 11 7.628 7.628 7.462 0.166 18964 44 1 2 . 1 1 12 12 SER HA H 12 5.066 5.066 4.929 0.137 18964 45 1 2 . 1 1 12 12 SER H H 12 7.577 7.577 8.088 -0.511 18964 46 1 2 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.781 -0.286 18964 47 1 2 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.140 0.046 18964 48 1 2 . 1 1 14 14 ILE H H 14 7.420 7.420 8.223 -0.803 18964 49 1 3 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.906 -0.245 18964 50 1 3 . 1 1 2 2 CYS H H 2 9.010 9.010 8.581 0.429 18964 51 1 3 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.249 0.356 18964 52 1 3 . 1 1 3 3 CYS H H 3 8.555 8.555 8.767 -0.212 18964 53 1 3 . 1 1 4 4 SER HA H 4 4.506 4.506 4.452 0.054 18964 54 1 3 . 1 1 4 4 SER H H 4 7.895 7.895 8.146 -0.251 18964 55 1 3 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.920 0.260 18964 56 1 3 . 1 1 5 5 HIS H H 5 8.208 8.208 7.918 0.290 18964 57 1 3 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.022 0.331 18964 58 1 3 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.751 0.216 18964 59 1 3 . 1 1 7 7 VAL H H 7 7.801 7.801 7.779 0.022 18964 60 1 3 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.425 -0.128 18964 61 1 3 . 1 1 8 8 CYS H H 8 8.039 8.039 8.266 -0.227 18964 62 1 3 . 1 1 9 9 SER HA H 9 4.371 4.371 4.233 0.138 18964 63 1 3 . 1 1 9 9 SER H H 9 8.554 8.554 8.287 0.267 18964 64 1 3 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.281 -0.020 18964 65 1 3 . 1 1 10 10 ALA H H 10 7.636 7.636 8.041 -0.405 18964 66 1 3 . 1 1 11 11 MET HA H 11 4.597 4.597 4.207 0.390 18964 67 1 3 . 1 1 11 11 MET H H 11 7.628 7.628 7.453 0.175 18964 68 1 3 . 1 1 12 12 SER HA H 12 5.066 5.066 4.934 0.132 18964 69 1 3 . 1 1 12 12 SER H H 12 7.577 7.577 8.092 -0.515 18964 70 1 3 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.818 -0.323 18964 71 1 3 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.227 -0.041 18964 72 1 3 . 1 1 14 14 ILE H H 14 7.420 7.420 8.122 -0.702 18964 73 1 4 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.822 -0.161 18964 74 1 4 . 1 1 2 2 CYS H H 2 9.010 9.010 8.936 0.074 18964 75 1 4 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.075 0.530 18964 76 1 4 . 1 1 3 3 CYS H H 3 8.555 8.555 8.870 -0.315 18964 77 1 4 . 1 1 4 4 SER HA H 4 4.506 4.506 4.557 -0.051 18964 78 1 4 . 1 1 4 4 SER H H 4 7.895 7.895 8.193 -0.298 18964 79 1 4 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.944 0.236 18964 80 1 4 . 1 1 5 5 HIS H H 5 8.208 8.208 7.606 0.602 18964 81 1 4 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.024 0.329 18964 82 1 4 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.827 0.140 18964 83 1 4 . 1 1 7 7 VAL H H 7 7.801 7.801 7.891 -0.090 18964 84 1 4 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.496 -0.199 18964 85 1 4 . 1 1 8 8 CYS H H 8 8.039 8.039 8.281 -0.242 18964 86 1 4 . 1 1 9 9 SER HA H 9 4.371 4.371 4.496 -0.125 18964 87 1 4 . 1 1 9 9 SER H H 9 8.554 8.554 8.553 0.001 18964 88 1 4 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.299 -0.038 18964 89 1 4 . 1 1 10 10 ALA H H 10 7.636 7.636 7.359 0.277 18964 90 1 4 . 1 1 11 11 MET HA H 11 4.597 4.597 4.457 0.140 18964 91 1 4 . 1 1 11 11 MET H H 11 7.628 7.628 7.695 -0.067 18964 92 1 4 . 1 1 12 12 SER HA H 12 5.066 5.066 4.957 0.109 18964 93 1 4 . 1 1 12 12 SER H H 12 7.577 7.577 8.363 -0.786 18964 94 1 4 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.882 -0.387 18964 95 1 4 . 1 1 14 14 ILE HA H 14 4.186 4.186 3.958 0.228 18964 96 1 4 . 1 1 14 14 ILE H H 14 7.420 7.420 8.131 -0.711 18964 97 1 5 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.502 0.159 18964 98 1 5 . 1 1 2 2 CYS H H 2 9.010 9.010 8.664 0.346 18964 99 1 5 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.525 0.080 18964 100 1 5 . 1 1 3 3 CYS H H 3 8.555 8.555 8.792 -0.237 18964 101 1 5 . 1 1 4 4 SER HA H 4 4.506 4.506 4.556 -0.050 18964 102 1 5 . 1 1 4 4 SER H H 4 7.895 7.895 7.795 0.100 18964 103 1 5 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.931 0.249 18964 104 1 5 . 1 1 5 5 HIS H H 5 8.208 8.208 7.756 0.452 18964 105 1 5 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.993 0.360 18964 106 1 5 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.733 0.234 18964 107 1 5 . 1 1 7 7 VAL H H 7 7.801 7.801 8.254 -0.453 18964 108 1 5 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.642 -0.345 18964 109 1 5 . 1 1 8 8 CYS H H 8 8.039 8.039 8.563 -0.524 18964 110 1 5 . 1 1 9 9 SER HA H 9 4.371 4.371 4.207 0.164 18964 111 1 5 . 1 1 9 9 SER H H 9 8.554 8.554 8.168 0.386 18964 112 1 5 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.262 -0.001 18964 113 1 5 . 1 1 10 10 ALA H H 10 7.636 7.636 8.199 -0.563 18964 114 1 5 . 1 1 11 11 MET HA H 11 4.597 4.597 4.256 0.341 18964 115 1 5 . 1 1 11 11 MET H H 11 7.628 7.628 7.869 -0.241 18964 116 1 5 . 1 1 12 12 SER HA H 12 5.066 5.066 4.935 0.131 18964 117 1 5 . 1 1 12 12 SER H H 12 7.577 7.577 8.028 -0.451 18964 118 1 5 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.784 -0.289 18964 119 1 5 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.122 0.064 18964 120 1 5 . 1 1 14 14 ILE H H 14 7.420 7.420 8.211 -0.791 18964 121 1 6 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.857 -0.196 18964 122 1 6 . 1 1 2 2 CYS H H 2 9.010 9.010 8.104 0.906 18964 123 1 6 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.531 0.074 18964 124 1 6 . 1 1 3 3 CYS H H 3 8.555 8.555 8.814 -0.259 18964 125 1 6 . 1 1 4 4 SER HA H 4 4.506 4.506 4.516 -0.010 18964 126 1 6 . 1 1 4 4 SER H H 4 7.895 7.895 8.301 -0.406 18964 127 1 6 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.915 0.265 18964 128 1 6 . 1 1 5 5 HIS H H 5 8.208 8.208 7.956 0.252 18964 129 1 6 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.993 0.360 18964 130 1 6 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.859 0.108 18964 131 1 6 . 1 1 7 7 VAL H H 7 7.801 7.801 7.847 -0.046 18964 132 1 6 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.319 -0.022 18964 133 1 6 . 1 1 8 8 CYS H H 8 8.039 8.039 8.329 -0.290 18964 134 1 6 . 1 1 9 9 SER HA H 9 4.371 4.371 4.350 0.021 18964 135 1 6 . 1 1 9 9 SER H H 9 8.554 8.554 8.547 0.007 18964 136 1 6 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.296 -0.035 18964 137 1 6 . 1 1 10 10 ALA H H 10 7.636 7.636 7.229 0.407 18964 138 1 6 . 1 1 11 11 MET HA H 11 4.597 4.597 4.351 0.246 18964 139 1 6 . 1 1 11 11 MET H H 11 7.628 7.628 7.882 -0.254 18964 140 1 6 . 1 1 12 12 SER HA H 12 5.066 5.066 4.907 0.159 18964 141 1 6 . 1 1 12 12 SER H H 12 7.577 7.577 8.237 -0.660 18964 142 1 6 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.861 -0.366 18964 143 1 6 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.215 -0.029 18964 144 1 6 . 1 1 14 14 ILE H H 14 7.420 7.420 8.134 -0.714 18964 145 1 7 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.914 -0.253 18964 146 1 7 . 1 1 2 2 CYS H H 2 9.010 9.010 8.758 0.252 18964 147 1 7 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.041 0.564 18964 148 1 7 . 1 1 3 3 CYS H H 3 8.555 8.555 8.852 -0.297 18964 149 1 7 . 1 1 4 4 SER HA H 4 4.506 4.506 4.439 0.067 18964 150 1 7 . 1 1 4 4 SER H H 4 7.895 7.895 8.216 -0.321 18964 151 1 7 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.942 0.238 18964 152 1 7 . 1 1 5 5 HIS H H 5 8.208 8.208 7.577 0.631 18964 153 1 7 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.082 0.271 18964 154 1 7 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.929 0.038 18964 155 1 7 . 1 1 7 7 VAL H H 7 7.801 7.801 8.028 -0.227 18964 156 1 7 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.602 -0.305 18964 157 1 7 . 1 1 8 8 CYS H H 8 8.039 8.039 8.362 -0.323 18964 158 1 7 . 1 1 9 9 SER HA H 9 4.371 4.371 4.259 0.112 18964 159 1 7 . 1 1 9 9 SER H H 9 8.554 8.554 8.362 0.192 18964 160 1 7 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.283 -0.022 18964 161 1 7 . 1 1 10 10 ALA H H 10 7.636 7.636 7.427 0.209 18964 162 1 7 . 1 1 11 11 MET HA H 11 4.597 4.597 4.417 0.180 18964 163 1 7 . 1 1 11 11 MET H H 11 7.628 7.628 7.821 -0.193 18964 164 1 7 . 1 1 12 12 SER HA H 12 5.066 5.066 4.927 0.139 18964 165 1 7 . 1 1 12 12 SER H H 12 7.577 7.577 7.682 -0.105 18964 166 1 7 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.777 -0.282 18964 167 1 7 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.286 -0.100 18964 168 1 7 . 1 1 14 14 ILE H H 14 7.420 7.420 8.097 -0.677 18964 169 1 8 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.414 0.247 18964 170 1 8 . 1 1 2 2 CYS H H 2 9.010 9.010 8.707 0.303 18964 171 1 8 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.533 0.072 18964 172 1 8 . 1 1 3 3 CYS H H 3 8.555 8.555 8.332 0.223 18964 173 1 8 . 1 1 4 4 SER HA H 4 4.506 4.506 4.576 -0.070 18964 174 1 8 . 1 1 4 4 SER H H 4 7.895 7.895 7.798 0.097 18964 175 1 8 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.985 0.195 18964 176 1 8 . 1 1 5 5 HIS H H 5 8.208 8.208 7.782 0.426 18964 177 1 8 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.051 0.302 18964 178 1 8 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.611 0.356 18964 179 1 8 . 1 1 7 7 VAL H H 7 7.801 7.801 7.532 0.269 18964 180 1 8 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.465 -0.168 18964 181 1 8 . 1 1 8 8 CYS H H 8 8.039 8.039 7.917 0.122 18964 182 1 8 . 1 1 9 9 SER HA H 9 4.371 4.371 4.710 -0.339 18964 183 1 8 . 1 1 9 9 SER H H 9 8.554 8.554 8.705 -0.151 18964 184 1 8 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.255 0.006 18964 185 1 8 . 1 1 10 10 ALA H H 10 7.636 7.636 7.893 -0.257 18964 186 1 8 . 1 1 11 11 MET HA H 11 4.597 4.597 4.285 0.312 18964 187 1 8 . 1 1 11 11 MET H H 11 7.628 7.628 7.507 0.121 18964 188 1 8 . 1 1 12 12 SER HA H 12 5.066 5.066 4.917 0.149 18964 189 1 8 . 1 1 12 12 SER H H 12 7.577 7.577 8.152 -0.575 18964 190 1 8 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.813 -0.318 18964 191 1 8 . 1 1 14 14 ILE HA H 14 4.186 4.186 3.923 0.263 18964 192 1 8 . 1 1 14 14 ILE H H 14 7.420 7.420 8.334 -0.914 18964 193 1 9 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.435 0.226 18964 194 1 9 . 1 1 2 2 CYS H H 2 9.010 9.010 8.694 0.316 18964 195 1 9 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.727 -0.122 18964 196 1 9 . 1 1 3 3 CYS H H 3 8.555 8.555 8.459 0.096 18964 197 1 9 . 1 1 4 4 SER HA H 4 4.506 4.506 4.621 -0.115 18964 198 1 9 . 1 1 4 4 SER H H 4 7.895 7.895 7.649 0.246 18964 199 1 9 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.970 0.210 18964 200 1 9 . 1 1 5 5 HIS H H 5 8.208 8.208 7.892 0.316 18964 201 1 9 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.094 0.259 18964 202 1 9 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.690 0.277 18964 203 1 9 . 1 1 7 7 VAL H H 7 7.801 7.801 7.352 0.449 18964 204 1 9 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.639 -0.342 18964 205 1 9 . 1 1 8 8 CYS H H 8 8.039 8.039 7.953 0.086 18964 206 1 9 . 1 1 9 9 SER HA H 9 4.371 4.371 4.494 -0.123 18964 207 1 9 . 1 1 9 9 SER H H 9 8.554 8.554 8.668 -0.114 18964 208 1 9 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.288 -0.027 18964 209 1 9 . 1 1 10 10 ALA H H 10 7.636 7.636 7.683 -0.047 18964 210 1 9 . 1 1 11 11 MET HA H 11 4.597 4.597 4.334 0.263 18964 211 1 9 . 1 1 11 11 MET H H 11 7.628 7.628 7.526 0.102 18964 212 1 9 . 1 1 12 12 SER HA H 12 5.066 5.066 4.951 0.115 18964 213 1 9 . 1 1 12 12 SER H H 12 7.577 7.577 7.986 -0.409 18964 214 1 9 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.868 -0.373 18964 215 1 9 . 1 1 14 14 ILE HA H 14 4.186 4.186 3.946 0.240 18964 216 1 9 . 1 1 14 14 ILE H H 14 7.420 7.420 8.171 -0.751 18964 217 1 10 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.837 -0.176 18964 218 1 10 . 1 1 2 2 CYS H H 2 9.010 9.010 8.416 0.594 18964 219 1 10 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.077 0.528 18964 220 1 10 . 1 1 3 3 CYS H H 3 8.555 8.555 8.690 -0.135 18964 221 1 10 . 1 1 4 4 SER HA H 4 4.506 4.506 4.570 -0.064 18964 222 1 10 . 1 1 4 4 SER H H 4 7.895 7.895 8.144 -0.249 18964 223 1 10 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.915 0.265 18964 224 1 10 . 1 1 5 5 HIS H H 5 8.208 8.208 7.694 0.514 18964 225 1 10 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.002 0.351 18964 226 1 10 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.678 0.289 18964 227 1 10 . 1 1 7 7 VAL H H 7 7.801 7.801 7.524 0.277 18964 228 1 10 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.221 0.076 18964 229 1 10 . 1 1 8 8 CYS H H 8 8.039 8.039 8.045 -0.006 18964 230 1 10 . 1 1 9 9 SER HA H 9 4.371 4.371 4.332 0.039 18964 231 1 10 . 1 1 9 9 SER H H 9 8.554 8.554 8.740 -0.186 18964 232 1 10 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.281 -0.020 18964 233 1 10 . 1 1 10 10 ALA H H 10 7.636 7.636 7.417 0.219 18964 234 1 10 . 1 1 11 11 MET HA H 11 4.597 4.597 4.364 0.233 18964 235 1 10 . 1 1 11 11 MET H H 11 7.628 7.628 7.984 -0.356 18964 236 1 10 . 1 1 12 12 SER HA H 12 5.066 5.066 4.974 0.092 18964 237 1 10 . 1 1 12 12 SER H H 12 7.577 7.577 7.944 -0.367 18964 238 1 10 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.877 -0.382 18964 239 1 10 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.151 0.035 18964 240 1 10 . 1 1 14 14 ILE H H 14 7.420 7.420 8.137 -0.717 18964 241 1 11 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.478 0.183 18964 242 1 11 . 1 1 2 2 CYS H H 2 9.010 9.010 8.590 0.420 18964 243 1 11 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.784 -0.179 18964 244 1 11 . 1 1 3 3 CYS H H 3 8.555 8.555 8.419 0.136 18964 245 1 11 . 1 1 4 4 SER HA H 4 4.506 4.506 4.545 -0.039 18964 246 1 11 . 1 1 4 4 SER H H 4 7.895 7.895 7.587 0.308 18964 247 1 11 . 1 1 5 5 HIS HA H 5 5.180 5.180 5.027 0.153 18964 248 1 11 . 1 1 5 5 HIS H H 5 8.208 8.208 7.847 0.361 18964 249 1 11 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.925 0.428 18964 250 1 11 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.814 0.153 18964 251 1 11 . 1 1 7 7 VAL H H 7 7.801 7.801 7.868 -0.067 18964 252 1 11 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.335 -0.038 18964 253 1 11 . 1 1 8 8 CYS H H 8 8.039 8.039 8.013 0.026 18964 254 1 11 . 1 1 9 9 SER HA H 9 4.371 4.371 4.723 -0.352 18964 255 1 11 . 1 1 9 9 SER H H 9 8.554 8.554 8.891 -0.337 18964 256 1 11 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.297 -0.036 18964 257 1 11 . 1 1 10 10 ALA H H 10 7.636 7.636 7.171 0.465 18964 258 1 11 . 1 1 11 11 MET HA H 11 4.597 4.597 4.362 0.235 18964 259 1 11 . 1 1 11 11 MET H H 11 7.628 7.628 7.940 -0.312 18964 260 1 11 . 1 1 12 12 SER HA H 12 5.066 5.066 4.951 0.115 18964 261 1 11 . 1 1 12 12 SER H H 12 7.577 7.577 8.259 -0.682 18964 262 1 11 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.961 -0.466 18964 263 1 11 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.106 0.080 18964 264 1 11 . 1 1 14 14 ILE H H 14 7.420 7.420 8.173 -0.753 18964 265 1 12 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.562 0.099 18964 266 1 12 . 1 1 2 2 CYS H H 2 9.010 9.010 8.300 0.710 18964 267 1 12 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.001 0.604 18964 268 1 12 . 1 1 3 3 CYS H H 3 8.555 8.555 8.535 0.020 18964 269 1 12 . 1 1 4 4 SER HA H 4 4.506 4.506 4.533 -0.027 18964 270 1 12 . 1 1 4 4 SER H H 4 7.895 7.895 8.215 -0.320 18964 271 1 12 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.757 0.423 18964 272 1 12 . 1 1 5 5 HIS H H 5 8.208 8.208 8.110 0.098 18964 273 1 12 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.064 0.289 18964 274 1 12 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.919 0.048 18964 275 1 12 . 1 1 7 7 VAL H H 7 7.801 7.801 7.831 -0.030 18964 276 1 12 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.496 -0.199 18964 277 1 12 . 1 1 8 8 CYS H H 8 8.039 8.039 9.128 -1.089 18964 278 1 12 . 1 1 9 9 SER HA H 9 4.371 4.371 4.352 0.019 18964 279 1 12 . 1 1 9 9 SER H H 9 8.554 8.554 8.741 -0.187 18964 280 1 12 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.195 0.066 18964 281 1 12 . 1 1 10 10 ALA H H 10 7.636 7.636 7.515 0.121 18964 282 1 12 . 1 1 11 11 MET HA H 11 4.597 4.597 4.550 0.047 18964 283 1 12 . 1 1 11 11 MET H H 11 7.628 7.628 7.284 0.344 18964 284 1 12 . 1 1 12 12 SER HA H 12 5.066 5.066 4.944 0.122 18964 285 1 12 . 1 1 12 12 SER H H 12 7.577 7.577 8.283 -0.706 18964 286 1 12 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.745 -0.250 18964 287 1 12 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.021 0.165 18964 288 1 12 . 1 1 14 14 ILE H H 14 7.420 7.420 8.106 -0.686 18964 289 1 13 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.370 0.291 18964 290 1 13 . 1 1 2 2 CYS H H 2 9.010 9.010 8.806 0.204 18964 291 1 13 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.385 0.220 18964 292 1 13 . 1 1 3 3 CYS H H 3 8.555 8.555 8.634 -0.079 18964 293 1 13 . 1 1 4 4 SER HA H 4 4.506 4.506 4.554 -0.048 18964 294 1 13 . 1 1 4 4 SER H H 4 7.895 7.895 7.723 0.172 18964 295 1 13 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.889 0.291 18964 296 1 13 . 1 1 5 5 HIS H H 5 8.208 8.208 7.739 0.469 18964 297 1 13 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.988 0.365 18964 298 1 13 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.616 0.351 18964 299 1 13 . 1 1 7 7 VAL H H 7 7.801 7.801 7.705 0.096 18964 300 1 13 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.605 -0.308 18964 301 1 13 . 1 1 8 8 CYS H H 8 8.039 8.039 8.098 -0.059 18964 302 1 13 . 1 1 9 9 SER HA H 9 4.371 4.371 4.172 0.199 18964 303 1 13 . 1 1 9 9 SER H H 9 8.554 8.554 8.507 0.047 18964 304 1 13 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.255 0.006 18964 305 1 13 . 1 1 10 10 ALA H H 10 7.636 7.636 8.223 -0.587 18964 306 1 13 . 1 1 11 11 MET HA H 11 4.597 4.597 4.387 0.210 18964 307 1 13 . 1 1 11 11 MET H H 11 7.628 7.628 7.830 -0.203 18964 308 1 13 . 1 1 12 12 SER HA H 12 5.066 5.066 4.936 0.130 18964 309 1 13 . 1 1 12 12 SER H H 12 7.577 7.577 8.155 -0.578 18964 310 1 13 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.770 -0.275 18964 311 1 13 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.070 0.116 18964 312 1 13 . 1 1 14 14 ILE H H 14 7.420 7.420 8.040 -0.620 18964 313 1 14 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.652 0.009 18964 314 1 14 . 1 1 2 2 CYS H H 2 9.010 9.010 8.618 0.392 18964 315 1 14 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.361 0.244 18964 316 1 14 . 1 1 3 3 CYS H H 3 8.555 8.555 8.870 -0.315 18964 317 1 14 . 1 1 4 4 SER HA H 4 4.506 4.506 4.452 0.054 18964 318 1 14 . 1 1 4 4 SER H H 4 7.895 7.895 8.249 -0.354 18964 319 1 14 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.998 0.182 18964 320 1 14 . 1 1 5 5 HIS H H 5 8.208 8.208 7.917 0.291 18964 321 1 14 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.913 0.440 18964 322 1 14 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.698 0.269 18964 323 1 14 . 1 1 7 7 VAL H H 7 7.801 7.801 7.850 -0.049 18964 324 1 14 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.309 -0.012 18964 325 1 14 . 1 1 8 8 CYS H H 8 8.039 8.039 8.312 -0.273 18964 326 1 14 . 1 1 9 9 SER HA H 9 4.371 4.371 4.218 0.153 18964 327 1 14 . 1 1 9 9 SER H H 9 8.554 8.554 8.232 0.322 18964 328 1 14 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.198 0.063 18964 329 1 14 . 1 1 10 10 ALA H H 10 7.636 7.636 8.138 -0.502 18964 330 1 14 . 1 1 11 11 MET HA H 11 4.597 4.597 4.243 0.354 18964 331 1 14 . 1 1 11 11 MET H H 11 7.628 7.628 7.640 -0.012 18964 332 1 14 . 1 1 12 12 SER HA H 12 5.066 5.066 4.893 0.173 18964 333 1 14 . 1 1 12 12 SER H H 12 7.577 7.577 7.972 -0.395 18964 334 1 14 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.781 -0.286 18964 335 1 14 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.005 0.181 18964 336 1 14 . 1 1 14 14 ILE H H 14 7.420 7.420 8.184 -0.764 18964 337 1 15 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.722 -0.061 18964 338 1 15 . 1 1 2 2 CYS H H 2 9.010 9.010 8.714 0.296 18964 339 1 15 . 1 1 3 3 CYS HA H 3 4.605 4.605 3.995 0.610 18964 340 1 15 . 1 1 3 3 CYS H H 3 8.555 8.555 8.822 -0.267 18964 341 1 15 . 1 1 4 4 SER HA H 4 4.506 4.506 4.508 -0.002 18964 342 1 15 . 1 1 4 4 SER H H 4 7.895 7.895 8.261 -0.366 18964 343 1 15 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.852 0.328 18964 344 1 15 . 1 1 5 5 HIS H H 5 8.208 8.208 8.160 0.048 18964 345 1 15 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.965 0.388 18964 346 1 15 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.714 0.253 18964 347 1 15 . 1 1 7 7 VAL H H 7 7.801 7.801 7.912 -0.111 18964 348 1 15 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.311 -0.014 18964 349 1 15 . 1 1 8 8 CYS H H 8 8.039 8.039 8.144 -0.105 18964 350 1 15 . 1 1 9 9 SER HA H 9 4.371 4.371 4.300 0.071 18964 351 1 15 . 1 1 9 9 SER H H 9 8.554 8.554 8.638 -0.084 18964 352 1 15 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.345 -0.084 18964 353 1 15 . 1 1 10 10 ALA H H 10 7.636 7.636 7.552 0.084 18964 354 1 15 . 1 1 11 11 MET HA H 11 4.597 4.597 4.438 0.159 18964 355 1 15 . 1 1 11 11 MET H H 11 7.628 7.628 7.669 -0.041 18964 356 1 15 . 1 1 12 12 SER HA H 12 5.066 5.066 4.941 0.125 18964 357 1 15 . 1 1 12 12 SER H H 12 7.577 7.577 8.099 -0.522 18964 358 1 15 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.846 -0.351 18964 359 1 15 . 1 1 14 14 ILE HA H 14 4.186 4.186 3.972 0.214 18964 360 1 15 . 1 1 14 14 ILE H H 14 7.420 7.420 8.165 -0.745 18964 361 1 16 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.530 0.131 18964 362 1 16 . 1 1 2 2 CYS H H 2 9.010 9.010 8.723 0.287 18964 363 1 16 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.283 0.322 18964 364 1 16 . 1 1 3 3 CYS H H 3 8.555 8.555 8.688 -0.133 18964 365 1 16 . 1 1 4 4 SER HA H 4 4.506 4.506 4.391 0.115 18964 366 1 16 . 1 1 4 4 SER H H 4 7.895 7.895 8.040 -0.145 18964 367 1 16 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.969 0.211 18964 368 1 16 . 1 1 5 5 HIS H H 5 8.208 8.208 7.909 0.299 18964 369 1 16 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.996 0.357 18964 370 1 16 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.669 0.298 18964 371 1 16 . 1 1 7 7 VAL H H 7 7.801 7.801 8.201 -0.400 18964 372 1 16 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.369 -0.072 18964 373 1 16 . 1 1 8 8 CYS H H 8 8.039 8.039 8.201 -0.162 18964 374 1 16 . 1 1 9 9 SER HA H 9 4.371 4.371 4.231 0.140 18964 375 1 16 . 1 1 9 9 SER H H 9 8.554 8.554 8.619 -0.065 18964 376 1 16 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.255 0.006 18964 377 1 16 . 1 1 10 10 ALA H H 10 7.636 7.636 8.099 -0.463 18964 378 1 16 . 1 1 11 11 MET HA H 11 4.597 4.597 4.277 0.320 18964 379 1 16 . 1 1 11 11 MET H H 11 7.628 7.628 7.645 -0.017 18964 380 1 16 . 1 1 12 12 SER HA H 12 5.066 5.066 4.936 0.130 18964 381 1 16 . 1 1 12 12 SER H H 12 7.577 7.577 8.009 -0.432 18964 382 1 16 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.717 -0.222 18964 383 1 16 . 1 1 14 14 ILE HA H 14 4.186 4.186 3.987 0.199 18964 384 1 16 . 1 1 14 14 ILE H H 14 7.420 7.420 8.127 -0.707 18964 385 1 17 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.371 0.290 18964 386 1 17 . 1 1 2 2 CYS H H 2 9.010 9.010 8.829 0.181 18964 387 1 17 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.398 0.207 18964 388 1 17 . 1 1 3 3 CYS H H 3 8.555 8.555 8.738 -0.183 18964 389 1 17 . 1 1 4 4 SER HA H 4 4.506 4.506 4.594 -0.088 18964 390 1 17 . 1 1 4 4 SER H H 4 7.895 7.895 7.758 0.138 18964 391 1 17 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.979 0.201 18964 392 1 17 . 1 1 5 5 HIS H H 5 8.208 8.208 7.672 0.536 18964 393 1 17 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.967 0.386 18964 394 1 17 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.767 0.200 18964 395 1 17 . 1 1 7 7 VAL H H 7 7.801 7.801 7.681 0.120 18964 396 1 17 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.521 -0.224 18964 397 1 17 . 1 1 8 8 CYS H H 8 8.039 8.039 8.243 -0.204 18964 398 1 17 . 1 1 9 9 SER HA H 9 4.371 4.371 4.352 0.019 18964 399 1 17 . 1 1 9 9 SER H H 9 8.554 8.554 8.465 0.089 18964 400 1 17 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.212 0.049 18964 401 1 17 . 1 1 10 10 ALA H H 10 7.636 7.636 7.686 -0.050 18964 402 1 17 . 1 1 11 11 MET HA H 11 4.597 4.597 4.233 0.364 18964 403 1 17 . 1 1 11 11 MET H H 11 7.628 7.628 7.777 -0.149 18964 404 1 17 . 1 1 12 12 SER HA H 12 5.066 5.066 4.884 0.182 18964 405 1 17 . 1 1 12 12 SER H H 12 7.577 7.577 7.986 -0.409 18964 406 1 17 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.798 -0.303 18964 407 1 17 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.030 0.156 18964 408 1 17 . 1 1 14 14 ILE H H 14 7.420 7.420 8.069 -0.649 18964 409 1 18 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.442 0.219 18964 410 1 18 . 1 1 2 2 CYS H H 2 9.010 9.010 8.584 0.426 18964 411 1 18 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.383 0.222 18964 412 1 18 . 1 1 3 3 CYS H H 3 8.555 8.555 8.617 -0.062 18964 413 1 18 . 1 1 4 4 SER HA H 4 4.506 4.506 4.661 -0.155 18964 414 1 18 . 1 1 4 4 SER H H 4 7.895 7.895 7.664 0.231 18964 415 1 18 . 1 1 5 5 HIS HA H 5 5.180 5.180 5.001 0.179 18964 416 1 18 . 1 1 5 5 HIS H H 5 8.208 8.208 7.689 0.519 18964 417 1 18 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.980 0.373 18964 418 1 18 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.802 0.165 18964 419 1 18 . 1 1 7 7 VAL H H 7 7.801 7.801 7.723 0.078 18964 420 1 18 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.475 -0.178 18964 421 1 18 . 1 1 8 8 CYS H H 8 8.039 8.039 8.247 -0.208 18964 422 1 18 . 1 1 9 9 SER HA H 9 4.371 4.371 4.267 0.104 18964 423 1 18 . 1 1 9 9 SER H H 9 8.554 8.554 8.686 -0.132 18964 424 1 18 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.217 0.044 18964 425 1 18 . 1 1 10 10 ALA H H 10 7.636 7.636 7.361 0.275 18964 426 1 18 . 1 1 11 11 MET HA H 11 4.597 4.597 4.424 0.173 18964 427 1 18 . 1 1 11 11 MET H H 11 7.628 7.628 7.767 -0.139 18964 428 1 18 . 1 1 12 12 SER HA H 12 5.066 5.066 4.937 0.129 18964 429 1 18 . 1 1 12 12 SER H H 12 7.577 7.577 7.680 -0.103 18964 430 1 18 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.712 -0.217 18964 431 1 18 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.114 0.072 18964 432 1 18 . 1 1 14 14 ILE H H 14 7.420 7.420 8.123 -0.703 18964 433 1 19 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.601 0.060 18964 434 1 19 . 1 1 2 2 CYS H H 2 9.010 9.010 8.599 0.411 18964 435 1 19 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.693 -0.088 18964 436 1 19 . 1 1 3 3 CYS H H 3 8.555 8.555 8.493 0.062 18964 437 1 19 . 1 1 4 4 SER HA H 4 4.506 4.506 4.447 0.059 18964 438 1 19 . 1 1 4 4 SER H H 4 7.895 7.895 7.910 -0.015 18964 439 1 19 . 1 1 5 5 HIS HA H 5 5.180 5.180 5.023 0.157 18964 440 1 19 . 1 1 5 5 HIS H H 5 8.208 8.208 7.899 0.309 18964 441 1 19 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.010 0.343 18964 442 1 19 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.711 0.256 18964 443 1 19 . 1 1 7 7 VAL H H 7 7.801 7.801 7.508 0.293 18964 444 1 19 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.351 -0.054 18964 445 1 19 . 1 1 8 8 CYS H H 8 8.039 8.039 8.477 -0.438 18964 446 1 19 . 1 1 9 9 SER HA H 9 4.371 4.371 4.459 -0.088 18964 447 1 19 . 1 1 9 9 SER H H 9 8.554 8.554 8.774 -0.220 18964 448 1 19 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.237 0.024 18964 449 1 19 . 1 1 10 10 ALA H H 10 7.636 7.636 7.287 0.349 18964 450 1 19 . 1 1 11 11 MET HA H 11 4.597 4.597 4.429 0.168 18964 451 1 19 . 1 1 11 11 MET H H 11 7.628 7.628 7.716 -0.088 18964 452 1 19 . 1 1 12 12 SER HA H 12 5.066 5.066 4.931 0.135 18964 453 1 19 . 1 1 12 12 SER H H 12 7.577 7.577 8.267 -0.690 18964 454 1 19 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.880 -0.385 18964 455 1 19 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.140 0.046 18964 456 1 19 . 1 1 14 14 ILE H H 14 7.420 7.420 8.131 -0.711 18964 457 1 20 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.553 0.108 18964 458 1 20 . 1 1 2 2 CYS H H 2 9.010 9.010 8.682 0.328 18964 459 1 20 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.435 0.170 18964 460 1 20 . 1 1 3 3 CYS H H 3 8.555 8.555 8.778 -0.223 18964 461 1 20 . 1 1 4 4 SER HA H 4 4.506 4.506 4.610 -0.104 18964 462 1 20 . 1 1 4 4 SER H H 4 7.895 7.895 7.632 0.263 18964 463 1 20 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.948 0.232 18964 464 1 20 . 1 1 5 5 HIS H H 5 8.208 8.208 7.817 0.391 18964 465 1 20 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.993 0.360 18964 466 1 20 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.605 0.362 18964 467 1 20 . 1 1 7 7 VAL H H 7 7.801 7.801 7.532 0.269 18964 468 1 20 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.288 0.009 18964 469 1 20 . 1 1 8 8 CYS H H 8 8.039 8.039 8.116 -0.077 18964 470 1 20 . 1 1 9 9 SER HA H 9 4.371 4.371 4.205 0.166 18964 471 1 20 . 1 1 9 9 SER H H 9 8.554 8.554 8.365 0.189 18964 472 1 20 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.246 0.015 18964 473 1 20 . 1 1 10 10 ALA H H 10 7.636 7.636 8.035 -0.399 18964 474 1 20 . 1 1 11 11 MET HA H 11 4.597 4.597 4.197 0.400 18964 475 1 20 . 1 1 11 11 MET H H 11 7.628 7.628 7.462 0.166 18964 476 1 20 . 1 1 12 12 SER HA H 12 5.066 5.066 4.929 0.137 18964 477 1 20 . 1 1 12 12 SER H H 12 7.577 7.577 8.088 -0.511 18964 478 1 20 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.781 -0.286 18964 479 1 20 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.140 0.046 18964 480 1 20 . 1 1 14 14 ILE H H 14 7.420 7.420 8.223 -0.803 18964 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 0 0.000 0.000 0.000 18964 2 1 1 "Average Difference" HA 13 0.213 -0.123 0.181 18964 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18964 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18964 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18964 6 1 1 "Average Difference" HN 11 0.320 0.009 0.336 18964 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18964 8 1 2 "Average Difference" HA 13 0.225 -0.124 0.195 18964 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18964 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18964 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18964 12 1 2 "Average Difference" HN 11 0.380 0.037 0.396 18964 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18964 14 1 3 "Average Difference" HA 13 0.236 -0.086 0.229 18964 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18964 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18964 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18964 18 1 3 "Average Difference" HN 11 0.363 0.103 0.366 18964 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18964 20 1 4 "Average Difference" HA 13 0.245 -0.058 0.248 18964 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18964 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18964 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18964 24 1 4 "Average Difference" HN 11 0.408 0.141 0.401 18964 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18964 26 1 5 "Average Difference" HA 13 0.223 -0.084 0.215 18964 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18964 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18964 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18964 30 1 5 "Average Difference" HN 11 0.450 0.180 0.432 18964 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18964 32 1 6 "Average Difference" HA 13 0.192 -0.044 0.194 18964 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18964 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18964 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18964 36 1 6 "Average Difference" HN 11 0.465 0.096 0.477 18964 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18964 38 1 7 "Average Difference" HA 13 0.243 -0.050 0.247 18964 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18964 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18964 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18964 42 1 7 "Average Difference" HN 11 0.356 0.078 0.365 18964 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18964 44 1 8 "Average Difference" HA 13 0.242 -0.077 0.238 18964 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18964 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18964 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18964 48 1 8 "Average Difference" HN 11 0.392 0.031 0.410 18964 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18964 50 1 9 "Average Difference" HA 13 0.228 -0.038 0.235 18964 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18964 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18964 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18964 54 1 9 "Average Difference" HN 11 0.335 -0.026 0.350 18964 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18964 56 1 10 "Average Difference" HA 13 0.249 -0.097 0.239 18964 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18964 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18964 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18964 60 1 10 "Average Difference" HN 11 0.385 0.038 0.402 18964 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18964 62 1 11 "Average Difference" HA 13 0.235 -0.018 0.244 18964 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18964 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18964 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18964 66 1 11 "Average Difference" HN 11 0.414 0.040 0.432 18964 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18964 68 1 12 "Average Difference" HA 13 0.247 -0.108 0.231 18964 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18964 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18964 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18964 72 1 12 "Average Difference" HN 11 0.517 0.157 0.517 18964 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18964 74 1 13 "Average Difference" HA 13 0.242 -0.119 0.219 18964 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18964 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18964 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18964 78 1 13 "Average Difference" HN 11 0.359 0.103 0.361 18964 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18964 80 1 14 "Average Difference" HA 13 0.225 -0.140 0.183 18964 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18964 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18964 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18964 84 1 14 "Average Difference" HN 11 0.386 0.151 0.372 18964 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18964 86 1 15 "Average Difference" HA 13 0.266 -0.126 0.244 18964 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18964 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18964 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18964 90 1 15 "Average Difference" HN 11 0.325 0.165 0.294 18964 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18964 92 1 16 "Average Difference" HA 13 0.220 -0.149 0.168 18964 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18964 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18964 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18964 96 1 16 "Average Difference" HN 11 0.344 0.176 0.310 18964 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18964 98 1 17 "Average Difference" HA 13 0.232 -0.111 0.212 18964 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18964 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18964 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18964 102 1 17 "Average Difference" HN 11 0.309 0.053 0.319 18964 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18964 104 1 18 "Average Difference" HA 13 0.189 -0.087 0.174 18964 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18964 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18964 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18964 108 1 18 "Average Difference" HN 11 0.327 -0.017 0.342 18964 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18964 110 1 19 "Average Difference" HA 13 0.182 -0.049 0.182 18964 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18964 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18964 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18964 114 1 19 "Average Difference" HN 11 0.394 0.067 0.407 18964 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18964 116 1 20 "Average Difference" HA 13 0.225 -0.124 0.195 18964 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18964 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18964 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18964 120 1 20 "Average Difference" HN 11 0.380 0.037 0.396 18964 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 18964 _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 CYS HA H 2 4.661 4.661 4.599 0.062 18964 2 1 . 1 1 2 2 CYS H H 2 9.010 9.010 8.638 0.372 18964 3 1 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.362 0.243 18964 4 1 . 1 1 3 3 CYS H H 3 8.555 8.555 8.688 -0.133 18964 5 1 . 1 1 4 4 SER HA H 4 4.506 4.506 4.538 -0.032 18964 6 1 . 1 1 4 4 SER H H 4 7.895 7.895 7.928 -0.033 18964 7 1 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.944 0.236 18964 8 1 . 1 1 5 5 HIS H H 5 8.208 8.208 7.833 0.375 18964 9 1 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.000 0.353 18964 10 1 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.734 0.233 18964 11 1 . 1 1 7 7 VAL H H 7 7.801 7.801 7.768 0.033 18964 12 1 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.421 -0.124 18964 13 1 . 1 1 8 8 CYS H H 8 8.039 8.039 8.247 -0.208 18964 14 1 . 1 1 9 9 SER HA H 9 4.371 4.371 4.339 0.032 18964 15 1 . 1 1 9 9 SER H H 9 8.554 8.554 8.527 0.027 18964 16 1 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.261 0.000 18964 17 1 . 1 1 10 10 ALA H H 10 7.636 7.636 7.700 -0.064 18964 18 1 . 1 1 11 11 MET HA H 11 4.597 4.597 4.341 0.256 18964 19 1 . 1 1 11 11 MET H H 11 7.628 7.628 7.667 -0.040 18964 20 1 . 1 1 12 12 SER HA H 12 5.066 5.066 4.932 0.134 18964 21 1 . 1 1 12 12 SER H H 12 7.577 7.577 8.062 -0.485 18964 22 1 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.812 -0.317 18964 23 1 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.085 0.101 18964 24 1 . 1 1 14 14 ILE H H 14 7.420 7.420 8.155 -0.735 18964 stop_ save_