data_25558 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25558 _Entry.PDB_ID 2N1E 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 25558 _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 8 8 LYS N N 8 125.300 125.300 128.500 -3.200 25558 2 1 1 . 1 1 8 8 LYS C C 8 174.200 174.200 175.254 -1.054 25558 3 1 1 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.342 -0.942 25558 4 1 1 . 1 1 8 8 LYS CB C 8 36.000 36.000 33.081 2.919 25558 5 1 1 . 1 1 12 12 THR N N 12 118.100 118.100 116.230 1.870 25558 6 1 1 . 1 1 12 12 THR C C 12 172.500 172.500 172.144 0.356 25558 7 1 1 . 1 1 12 12 THR CA C 12 63.100 63.100 61.972 1.128 25558 8 1 1 . 1 1 12 12 THR CB C 12 68.900 68.900 70.873 -1.973 25558 9 1 1 . 1 1 13 13 LYS C C 13 174.200 174.200 174.744 -0.544 25558 10 1 1 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.994 -0.594 25558 11 1 1 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.408 0.592 25558 12 1 2 . 1 1 8 8 LYS N N 8 125.300 125.300 127.793 -2.493 25558 13 1 2 . 1 1 8 8 LYS C C 8 174.200 174.200 175.230 -1.030 25558 14 1 2 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.355 -0.955 25558 15 1 2 . 1 1 8 8 LYS CB C 8 36.000 36.000 33.830 2.170 25558 16 1 2 . 1 1 12 12 THR N N 12 118.100 118.100 116.387 1.713 25558 17 1 2 . 1 1 12 12 THR C C 12 172.500 172.500 172.262 0.238 25558 18 1 2 . 1 1 12 12 THR CA C 12 63.100 63.100 61.548 1.552 25558 19 1 2 . 1 1 12 12 THR CB C 12 68.900 68.900 70.967 -2.067 25558 20 1 2 . 1 1 13 13 LYS C C 13 174.200 174.200 174.079 0.121 25558 21 1 2 . 1 1 13 13 LYS CA C 13 54.400 54.400 55.591 -1.191 25558 22 1 2 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.610 0.390 25558 23 1 3 . 1 1 8 8 LYS N N 8 125.300 125.300 127.255 -1.955 25558 24 1 3 . 1 1 8 8 LYS C C 8 174.200 174.200 175.075 -0.875 25558 25 1 3 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.057 -0.657 25558 26 1 3 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.568 1.432 25558 27 1 3 . 1 1 12 12 THR N N 12 118.100 118.100 116.819 1.281 25558 28 1 3 . 1 1 12 12 THR C C 12 172.500 172.500 172.347 0.153 25558 29 1 3 . 1 1 12 12 THR CA C 12 63.100 63.100 61.788 1.312 25558 30 1 3 . 1 1 12 12 THR CB C 12 68.900 68.900 70.816 -1.915 25558 31 1 3 . 1 1 13 13 LYS C C 13 174.200 174.200 174.210 -0.010 25558 32 1 3 . 1 1 13 13 LYS CA C 13 54.400 54.400 55.226 -0.826 25558 33 1 3 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.585 0.415 25558 34 1 4 . 1 1 8 8 LYS N N 8 125.300 125.300 126.978 -1.678 25558 35 1 4 . 1 1 8 8 LYS C C 8 174.200 174.200 175.397 -1.197 25558 36 1 4 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.053 -0.653 25558 37 1 4 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.423 1.577 25558 38 1 4 . 1 1 12 12 THR N N 12 118.100 118.100 117.083 1.017 25558 39 1 4 . 1 1 12 12 THR C C 12 172.500 172.500 172.486 0.014 25558 40 1 4 . 1 1 12 12 THR CA C 12 63.100 63.100 61.798 1.302 25558 41 1 4 . 1 1 12 12 THR CB C 12 68.900 68.900 71.190 -2.290 25558 42 1 4 . 1 1 13 13 LYS C C 13 174.200 174.200 174.514 -0.314 25558 43 1 4 . 1 1 13 13 LYS CA C 13 54.400 54.400 55.061 -0.661 25558 44 1 4 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.542 0.458 25558 45 1 5 . 1 1 8 8 LYS N N 8 125.300 125.300 126.945 -1.645 25558 46 1 5 . 1 1 8 8 LYS C C 8 174.200 174.200 175.269 -1.069 25558 47 1 5 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.240 -0.840 25558 48 1 5 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.305 1.695 25558 49 1 5 . 1 1 12 12 THR N N 12 118.100 118.100 116.145 1.955 25558 50 1 5 . 1 1 12 12 THR C C 12 172.500 172.500 172.127 0.373 25558 51 1 5 . 1 1 12 12 THR CA C 12 63.100 63.100 62.135 0.965 25558 52 1 5 . 1 1 12 12 THR CB C 12 68.900 68.900 70.693 -1.793 25558 53 1 5 . 1 1 13 13 LYS C C 13 174.200 174.200 174.325 -0.125 25558 54 1 5 . 1 1 13 13 LYS CA C 13 54.400 54.400 55.345 -0.945 25558 55 1 5 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.624 0.376 25558 56 1 6 . 1 1 8 8 LYS N N 8 125.300 125.300 127.056 -1.756 25558 57 1 6 . 1 1 8 8 LYS C C 8 174.200 174.200 175.097 -0.897 25558 58 1 6 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.285 -0.885 25558 59 1 6 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.479 1.521 25558 60 1 6 . 1 1 12 12 THR N N 12 118.100 118.100 116.790 1.310 25558 61 1 6 . 1 1 12 12 THR C C 12 172.500 172.500 172.632 -0.132 25558 62 1 6 . 1 1 12 12 THR CA C 12 63.100 63.100 61.774 1.326 25558 63 1 6 . 1 1 12 12 THR CB C 12 68.900 68.900 70.860 -1.960 25558 64 1 6 . 1 1 13 13 LYS C C 13 174.200 174.200 174.987 -0.787 25558 65 1 6 . 1 1 13 13 LYS CA C 13 54.400 54.400 55.006 -0.606 25558 66 1 6 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.009 0.991 25558 67 1 7 . 1 1 8 8 LYS N N 8 125.300 125.300 127.365 -2.065 25558 68 1 7 . 1 1 8 8 LYS C C 8 174.200 174.200 175.435 -1.235 25558 69 1 7 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.512 -1.112 25558 70 1 7 . 1 1 8 8 LYS CB C 8 36.000 36.000 33.876 2.124 25558 71 1 7 . 1 1 12 12 THR N N 12 118.100 118.100 116.449 1.651 25558 72 1 7 . 1 1 12 12 THR C C 12 172.500 172.500 172.245 0.255 25558 73 1 7 . 1 1 12 12 THR CA C 12 63.100 63.100 62.042 1.058 25558 74 1 7 . 1 1 12 12 THR CB C 12 68.900 68.900 71.479 -2.579 25558 75 1 7 . 1 1 13 13 LYS C C 13 174.200 174.200 174.747 -0.547 25558 76 1 7 . 1 1 13 13 LYS CA C 13 54.400 54.400 55.108 -0.708 25558 77 1 7 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.338 0.662 25558 78 1 8 . 1 1 8 8 LYS N N 8 125.300 125.300 127.941 -2.641 25558 79 1 8 . 1 1 8 8 LYS C C 8 174.200 174.200 175.158 -0.958 25558 80 1 8 . 1 1 8 8 LYS CA C 8 54.400 54.400 54.902 -0.502 25558 81 1 8 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.181 1.819 25558 82 1 8 . 1 1 12 12 THR N N 12 118.100 118.100 116.365 1.735 25558 83 1 8 . 1 1 12 12 THR C C 12 172.500 172.500 172.467 0.033 25558 84 1 8 . 1 1 12 12 THR CA C 12 63.100 63.100 61.310 1.790 25558 85 1 8 . 1 1 12 12 THR CB C 12 68.900 68.900 71.270 -2.370 25558 86 1 8 . 1 1 13 13 LYS C C 13 174.200 174.200 175.038 -0.838 25558 87 1 8 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.974 -0.574 25558 88 1 8 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.885 0.115 25558 89 1 9 . 1 1 8 8 LYS N N 8 125.300 125.300 128.006 -2.706 25558 90 1 9 . 1 1 8 8 LYS C C 8 174.200 174.200 175.526 -1.326 25558 91 1 9 . 1 1 8 8 LYS CA C 8 54.400 54.400 54.622 -0.222 25558 92 1 9 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.123 1.877 25558 93 1 9 . 1 1 12 12 THR N N 12 118.100 118.100 117.467 0.633 25558 94 1 9 . 1 1 12 12 THR C C 12 172.500 172.500 172.450 0.050 25558 95 1 9 . 1 1 12 12 THR CA C 12 63.100 63.100 61.596 1.504 25558 96 1 9 . 1 1 12 12 THR CB C 12 68.900 68.900 70.997 -2.097 25558 97 1 9 . 1 1 13 13 LYS C C 13 174.200 174.200 175.152 -0.952 25558 98 1 9 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.907 -0.507 25558 99 1 9 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.316 0.684 25558 100 1 10 . 1 1 8 8 LYS N N 8 125.300 125.300 128.270 -2.970 25558 101 1 10 . 1 1 8 8 LYS C C 8 174.200 174.200 175.091 -0.891 25558 102 1 10 . 1 1 8 8 LYS CA C 8 54.400 54.400 54.820 -0.420 25558 103 1 10 . 1 1 8 8 LYS CB C 8 36.000 36.000 33.950 2.050 25558 104 1 10 . 1 1 12 12 THR N N 12 118.100 118.100 118.077 0.023 25558 105 1 10 . 1 1 12 12 THR C C 12 172.500 172.500 172.733 -0.233 25558 106 1 10 . 1 1 12 12 THR CA C 12 63.100 63.100 61.624 1.476 25558 107 1 10 . 1 1 12 12 THR CB C 12 68.900 68.900 70.057 -1.157 25558 108 1 10 . 1 1 13 13 LYS C C 13 174.200 174.200 174.856 -0.656 25558 109 1 10 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.653 -0.253 25558 110 1 10 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.388 0.612 25558 111 1 11 . 1 1 8 8 LYS N N 8 125.300 125.300 128.555 -3.255 25558 112 1 11 . 1 1 8 8 LYS C C 8 174.200 174.200 175.267 -1.067 25558 113 1 11 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.139 -0.739 25558 114 1 11 . 1 1 8 8 LYS CB C 8 36.000 36.000 33.776 2.224 25558 115 1 11 . 1 1 12 12 THR N N 12 118.100 118.100 117.523 0.577 25558 116 1 11 . 1 1 12 12 THR C C 12 172.500 172.500 172.637 -0.137 25558 117 1 11 . 1 1 12 12 THR CA C 12 63.100 63.100 61.948 1.152 25558 118 1 11 . 1 1 12 12 THR CB C 12 68.900 68.900 70.589 -1.689 25558 119 1 11 . 1 1 13 13 LYS C C 13 174.200 174.200 175.169 -0.969 25558 120 1 11 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.806 -0.406 25558 121 1 11 . 1 1 13 13 LYS CB C 13 36.000 36.000 34.822 1.178 25558 122 1 12 . 1 1 8 8 LYS N N 8 125.300 125.300 127.919 -2.619 25558 123 1 12 . 1 1 8 8 LYS C C 8 174.200 174.200 175.000 -0.800 25558 124 1 12 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.258 -0.858 25558 125 1 12 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.455 1.545 25558 126 1 12 . 1 1 12 12 THR N N 12 118.100 118.100 118.113 -0.013 25558 127 1 12 . 1 1 12 12 THR C C 12 172.500 172.500 172.988 -0.488 25558 128 1 12 . 1 1 12 12 THR CA C 12 63.100 63.100 61.711 1.389 25558 129 1 12 . 1 1 12 12 THR CB C 12 68.900 68.900 70.135 -1.235 25558 130 1 12 . 1 1 13 13 LYS C C 13 174.200 174.200 174.638 -0.438 25558 131 1 12 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.645 -0.245 25558 132 1 12 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.458 0.542 25558 133 1 13 . 1 1 8 8 LYS N N 8 125.300 125.300 127.681 -2.381 25558 134 1 13 . 1 1 8 8 LYS C C 8 174.200 174.200 174.882 -0.682 25558 135 1 13 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.191 -0.791 25558 136 1 13 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.185 1.815 25558 137 1 13 . 1 1 12 12 THR N N 12 118.100 118.100 117.195 0.905 25558 138 1 13 . 1 1 12 12 THR C C 12 172.500 172.500 172.663 -0.163 25558 139 1 13 . 1 1 12 12 THR CA C 12 63.100 63.100 61.505 1.595 25558 140 1 13 . 1 1 12 12 THR CB C 12 68.900 68.900 70.524 -1.624 25558 141 1 13 . 1 1 13 13 LYS C C 13 174.200 174.200 174.624 -0.424 25558 142 1 13 . 1 1 13 13 LYS CA C 13 54.400 54.400 55.288 -0.888 25558 143 1 13 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.676 0.324 25558 144 1 14 . 1 1 8 8 LYS N N 8 125.300 125.300 128.315 -3.015 25558 145 1 14 . 1 1 8 8 LYS C C 8 174.200 174.200 175.081 -0.881 25558 146 1 14 . 1 1 8 8 LYS CA C 8 54.400 54.400 54.917 -0.517 25558 147 1 14 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.223 1.777 25558 148 1 14 . 1 1 12 12 THR N N 12 118.100 118.100 117.426 0.674 25558 149 1 14 . 1 1 12 12 THR C C 12 172.500 172.500 172.720 -0.220 25558 150 1 14 . 1 1 12 12 THR CA C 12 63.100 63.100 61.233 1.867 25558 151 1 14 . 1 1 12 12 THR CB C 12 68.900 68.900 70.678 -1.778 25558 152 1 14 . 1 1 13 13 LYS C C 13 174.200 174.200 174.477 -0.277 25558 153 1 14 . 1 1 13 13 LYS CA C 13 54.400 54.400 55.062 -0.662 25558 154 1 14 . 1 1 13 13 LYS CB C 13 36.000 36.000 36.014 -0.014 25558 155 1 15 . 1 1 8 8 LYS N N 8 125.300 125.300 127.935 -2.635 25558 156 1 15 . 1 1 8 8 LYS C C 8 174.200 174.200 175.314 -1.114 25558 157 1 15 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.262 -0.862 25558 158 1 15 . 1 1 8 8 LYS CB C 8 36.000 36.000 33.758 2.242 25558 159 1 15 . 1 1 12 12 THR N N 12 118.100 118.100 117.610 0.490 25558 160 1 15 . 1 1 12 12 THR C C 12 172.500 172.500 172.829 -0.329 25558 161 1 15 . 1 1 12 12 THR CA C 12 63.100 63.100 61.475 1.625 25558 162 1 15 . 1 1 12 12 THR CB C 12 68.900 68.900 70.206 -1.306 25558 163 1 15 . 1 1 13 13 LYS C C 13 174.200 174.200 175.042 -0.842 25558 164 1 15 . 1 1 13 13 LYS CA C 13 54.400 54.400 55.058 -0.658 25558 165 1 15 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.395 0.605 25558 166 1 16 . 1 1 8 8 LYS N N 8 125.300 125.300 128.601 -3.301 25558 167 1 16 . 1 1 8 8 LYS C C 8 174.200 174.200 175.333 -1.133 25558 168 1 16 . 1 1 8 8 LYS CA C 8 54.400 54.400 56.111 -1.711 25558 169 1 16 . 1 1 8 8 LYS CB C 8 36.000 36.000 32.988 3.012 25558 170 1 16 . 1 1 12 12 THR N N 12 118.100 118.100 117.184 0.916 25558 171 1 16 . 1 1 12 12 THR C C 12 172.500 172.500 172.459 0.041 25558 172 1 16 . 1 1 12 12 THR CA C 12 63.100 63.100 61.806 1.294 25558 173 1 16 . 1 1 12 12 THR CB C 12 68.900 68.900 71.171 -2.271 25558 174 1 16 . 1 1 13 13 LYS C C 13 174.200 174.200 174.952 -0.752 25558 175 1 16 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.528 -0.128 25558 176 1 16 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.772 0.228 25558 177 1 17 . 1 1 8 8 LYS N N 8 125.300 125.300 126.559 -1.259 25558 178 1 17 . 1 1 8 8 LYS C C 8 174.200 174.200 174.838 -0.638 25558 179 1 17 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.220 -0.820 25558 180 1 17 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.720 1.280 25558 181 1 17 . 1 1 12 12 THR N N 12 118.100 118.100 116.661 1.439 25558 182 1 17 . 1 1 12 12 THR C C 12 172.500 172.500 172.369 0.131 25558 183 1 17 . 1 1 12 12 THR CA C 12 63.100 63.100 61.909 1.191 25558 184 1 17 . 1 1 12 12 THR CB C 12 68.900 68.900 71.131 -2.231 25558 185 1 17 . 1 1 13 13 LYS C C 13 174.200 174.200 174.801 -0.601 25558 186 1 17 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.653 -0.252 25558 187 1 17 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.788 0.212 25558 188 1 18 . 1 1 8 8 LYS N N 8 125.300 125.300 128.816 -3.516 25558 189 1 18 . 1 1 8 8 LYS C C 8 174.200 174.200 175.279 -1.079 25558 190 1 18 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.547 -1.147 25558 191 1 18 . 1 1 8 8 LYS CB C 8 36.000 36.000 33.069 2.931 25558 192 1 18 . 1 1 12 12 THR N N 12 118.100 118.100 117.368 0.732 25558 193 1 18 . 1 1 12 12 THR C C 12 172.500 172.500 172.145 0.355 25558 194 1 18 . 1 1 12 12 THR CA C 12 63.100 63.100 61.852 1.248 25558 195 1 18 . 1 1 12 12 THR CB C 12 68.900 68.900 70.941 -2.041 25558 196 1 18 . 1 1 13 13 LYS C C 13 174.200 174.200 175.007 -0.807 25558 197 1 18 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.892 -0.491 25558 198 1 18 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.697 0.304 25558 199 1 19 . 1 1 8 8 LYS N N 8 125.300 125.300 128.062 -2.762 25558 200 1 19 . 1 1 8 8 LYS C C 8 174.200 174.200 175.296 -1.096 25558 201 1 19 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.085 -0.685 25558 202 1 19 . 1 1 8 8 LYS CB C 8 36.000 36.000 34.460 1.540 25558 203 1 19 . 1 1 12 12 THR N N 12 118.100 118.100 116.896 1.204 25558 204 1 19 . 1 1 12 12 THR C C 12 172.500 172.500 172.219 0.281 25558 205 1 19 . 1 1 12 12 THR CA C 12 63.100 63.100 61.792 1.308 25558 206 1 19 . 1 1 12 12 THR CB C 12 68.900 68.900 70.989 -2.089 25558 207 1 19 . 1 1 13 13 LYS C C 13 174.200 174.200 174.722 -0.522 25558 208 1 19 . 1 1 13 13 LYS CA C 13 54.400 54.400 55.101 -0.701 25558 209 1 19 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.666 0.334 25558 210 1 20 . 1 1 8 8 LYS N N 8 125.300 125.300 129.602 -4.302 25558 211 1 20 . 1 1 8 8 LYS C C 8 174.200 174.200 175.044 -0.844 25558 212 1 20 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.127 -0.727 25558 213 1 20 . 1 1 8 8 LYS CB C 8 36.000 36.000 33.208 2.792 25558 214 1 20 . 1 1 12 12 THR N N 12 118.100 118.100 117.318 0.782 25558 215 1 20 . 1 1 12 12 THR C C 12 172.500 172.500 172.438 0.062 25558 216 1 20 . 1 1 12 12 THR CA C 12 63.100 63.100 61.328 1.772 25558 217 1 20 . 1 1 12 12 THR CB C 12 68.900 68.900 71.161 -2.261 25558 218 1 20 . 1 1 13 13 LYS C C 13 174.200 174.200 174.751 -0.551 25558 219 1 20 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.901 -0.501 25558 220 1 20 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.384 0.616 25558 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 2 2.621 0.665 3.585 25558 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25558 3 1 1 "Average Difference" C 3 0.715 0.414 0.714 25558 4 1 1 "Average Difference" CA 3 0.915 0.136 1.108 25558 5 1 1 "Average Difference" CB 3 2.063 -0.513 2.447 25558 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25558 7 1 2 "Average Difference" N 2 2.139 0.390 2.974 25558 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25558 9 1 2 "Average Difference" C 3 0.614 0.224 0.701 25558 10 1 2 "Average Difference" CA 3 1.257 0.198 1.520 25558 11 1 2 "Average Difference" CB 3 1.745 -0.164 2.128 25558 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25558 13 1 3 "Average Difference" N 2 1.653 0.337 2.288 25558 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25558 15 1 3 "Average Difference" C 3 0.513 0.244 0.553 25558 16 1 3 "Average Difference" CA 3 0.972 0.057 1.189 25558 17 1 3 "Average Difference" CB 3 1.401 0.023 1.716 25558 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25558 19 1 4 "Average Difference" N 2 1.387 0.330 1.906 25558 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25558 21 1 4 "Average Difference" C 3 0.715 0.499 0.626 25558 22 1 4 "Average Difference" CA 3 0.923 0.004 1.131 25558 23 1 4 "Average Difference" CB 3 1.627 0.085 1.990 25558 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25558 25 1 5 "Average Difference" N 2 1.807 -0.155 2.546 25558 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25558 27 1 5 "Average Difference" C 3 0.658 0.274 0.732 25558 28 1 5 "Average Difference" CA 3 0.918 0.273 1.074 25558 29 1 5 "Average Difference" CB 3 1.441 -0.093 1.761 25558 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25558 31 1 6 "Average Difference" N 2 1.549 0.223 2.168 25558 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25558 33 1 6 "Average Difference" C 3 0.693 0.605 0.414 25558 34 1 6 "Average Difference" CA 3 0.985 0.055 1.204 25558 35 1 6 "Average Difference" CB 3 1.542 -0.184 1.875 25558 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25558 37 1 7 "Average Difference" N 2 1.869 0.207 2.628 25558 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25558 39 1 7 "Average Difference" C 3 0.794 0.509 0.746 25558 40 1 7 "Average Difference" CA 3 0.976 0.254 1.154 25558 41 1 7 "Average Difference" CB 3 1.967 -0.069 2.407 25558 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25558 43 1 8 "Average Difference" N 2 2.234 0.453 3.094 25558 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25558 45 1 8 "Average Difference" C 3 0.735 0.588 0.541 25558 46 1 8 "Average Difference" CA 3 1.123 -0.238 1.345 25558 47 1 8 "Average Difference" CB 3 1.726 0.146 2.107 25558 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25558 49 1 9 "Average Difference" N 2 1.965 1.036 2.361 25558 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25558 51 1 9 "Average Difference" C 3 0.943 0.743 0.711 25558 52 1 9 "Average Difference" CA 3 0.925 -0.258 1.088 25558 53 1 9 "Average Difference" CB 3 1.672 -0.155 2.039 25558 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25558 55 1 10 "Average Difference" N 2 2.100 1.474 2.116 25558 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25558 57 1 10 "Average Difference" C 3 0.653 0.593 0.333 25558 58 1 10 "Average Difference" CA 3 0.898 -0.268 1.049 25558 59 1 10 "Average Difference" CB 3 1.404 -0.502 1.606 25558 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 25558 61 1 11 "Average Difference" N 2 2.338 1.339 2.710 25558 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25558 63 1 11 "Average Difference" C 3 0.836 0.724 0.511 25558 64 1 11 "Average Difference" CA 3 0.824 -0.002 1.009 25558 65 1 11 "Average Difference" CB 3 1.750 -0.571 2.026 25558 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 25558 67 1 12 "Average Difference" N 2 1.852 1.316 1.843 25558 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 25558 69 1 12 "Average Difference" C 3 0.597 0.575 0.196 25558 70 1 12 "Average Difference" CA 3 0.953 -0.095 1.162 25558 71 1 12 "Average Difference" CB 3 1.184 -0.284 1.408 25558 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 25558 73 1 13 "Average Difference" N 2 1.801 0.738 2.324 25558 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 25558 75 1 13 "Average Difference" C 3 0.473 0.423 0.260 25558 76 1 13 "Average Difference" CA 3 1.149 0.028 1.407 25558 77 1 13 "Average Difference" CB 3 1.418 -0.172 1.724 25558 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 25558 79 1 14 "Average Difference" N 2 2.185 1.171 2.609 25558 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 25558 81 1 14 "Average Difference" C 3 0.548 0.459 0.366 25558 82 1 14 "Average Difference" CA 3 1.182 -0.230 1.420 25558 83 1 14 "Average Difference" CB 3 1.451 0.005 1.778 25558 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 25558 85 1 15 "Average Difference" N 2 1.895 1.072 2.210 25558 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 25558 87 1 15 "Average Difference" C 3 0.828 0.762 0.399 25558 88 1 15 "Average Difference" CA 3 1.128 -0.035 1.381 25558 89 1 15 "Average Difference" CB 3 1.538 -0.514 1.776 25558 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 25558 91 1 16 "Average Difference" N 2 2.422 1.192 2.982 25558 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 25558 93 1 16 "Average Difference" C 3 0.785 0.615 0.599 25558 94 1 16 "Average Difference" CA 3 1.241 0.182 1.503 25558 95 1 16 "Average Difference" CB 3 2.182 -0.323 2.643 25558 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 25558 97 1 17 "Average Difference" N 2 1.352 -0.090 1.908 25558 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 25558 99 1 17 "Average Difference" C 3 0.512 0.369 0.434 25558 100 1 17 "Average Difference" CA 3 0.848 -0.039 1.037 25558 101 1 17 "Average Difference" CB 3 1.490 0.247 1.800 25558 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 25558 103 1 18 "Average Difference" N 2 2.539 1.392 3.004 25558 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 25558 105 1 18 "Average Difference" C 3 0.804 0.510 0.762 25558 106 1 18 "Average Difference" CA 3 1.019 0.130 1.238 25558 107 1 18 "Average Difference" CB 3 2.070 -0.398 2.487 25558 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 25558 109 1 19 "Average Difference" N 2 2.131 0.779 2.804 25558 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 25558 111 1 19 "Average Difference" C 3 0.719 0.446 0.692 25558 112 1 19 "Average Difference" CA 3 0.944 0.026 1.155 25558 113 1 19 "Average Difference" CB 3 1.511 0.071 1.848 25558 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 25558 115 1 20 "Average Difference" N 2 3.092 1.760 3.595 25558 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 25558 117 1 20 "Average Difference" C 3 0.583 0.444 0.462 25558 118 1 20 "Average Difference" CA 3 1.143 -0.181 1.382 25558 119 1 20 "Average Difference" CB 3 2.105 -0.383 2.535 25558 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 25558 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 25558 _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 8 8 LYS N N 8 125.300 125.300 127.908 -2.608 25558 2 1 . 1 1 8 8 LYS C C 8 174.200 174.200 175.193 -0.993 25558 3 1 . 1 1 8 8 LYS CA C 8 54.400 54.400 55.202 -0.802 25558 4 1 . 1 1 8 8 LYS CB C 8 36.000 36.000 33.983 2.017 25558 5 1 . 1 1 12 12 THR N N 12 118.100 118.100 117.055 1.045 25558 6 1 . 1 1 12 12 THR C C 12 172.500 172.500 172.468 0.032 25558 7 1 . 1 1 12 12 THR CA C 12 63.100 63.100 61.707 1.393 25558 8 1 . 1 1 12 12 THR CB C 12 68.900 68.900 70.836 -1.936 25558 9 1 . 1 1 13 13 LYS C C 13 174.200 174.200 174.742 -0.542 25558 10 1 . 1 1 13 13 LYS CA C 13 54.400 54.400 54.990 -0.590 25558 11 1 . 1 1 13 13 LYS CB C 13 36.000 36.000 35.519 0.481 25558 stop_ save_