data_25901 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25901 _Entry.PDB_ID 2N9E 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 25901 _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 38 38 THR N N 38 122.811 122.811 115.884 6.927 25901 2 1 1 . 1 1 38 38 THR H H 38 7.459 7.459 8.109 -0.650 25901 3 1 1 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.417 -0.589 25901 4 1 1 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.258 1.992 25901 5 1 1 . 1 1 40 40 LEU N N 40 121.350 121.350 121.954 -0.604 25901 6 1 1 . 1 1 40 40 LEU C C 40 178.067 178.067 174.263 3.804 25901 7 1 1 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.216 1.934 25901 8 1 1 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.407 -3.389 25901 9 1 1 . 1 1 40 40 LEU H H 40 9.073 9.073 7.777 1.296 25901 10 1 1 . 1 1 41 41 SER N N 41 116.449 116.449 120.269 -3.820 25901 11 1 1 . 1 1 41 41 SER CA C 41 61.147 61.147 57.412 3.735 25901 12 1 1 . 1 1 41 41 SER H H 41 8.476 8.476 7.900 0.576 25901 13 1 1 . 1 1 42 42 LYS N N 42 118.883 118.883 126.914 -8.031 25901 14 1 1 . 1 1 42 42 LYS C C 42 179.348 179.348 175.625 3.723 25901 15 1 1 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.976 3.954 25901 16 1 1 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.241 -0.399 25901 17 1 1 . 1 1 42 42 LYS H H 42 7.720 7.720 8.520 -0.800 25901 18 1 1 . 1 1 48 48 CYS N N 48 116.931 116.931 121.225 -4.294 25901 19 1 1 . 1 1 48 48 CYS C C 48 177.207 177.207 173.942 3.265 25901 20 1 1 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.189 6.480 25901 21 1 1 . 1 1 48 48 CYS H H 48 8.438 8.438 8.257 0.181 25901 22 1 2 . 1 1 38 38 THR N N 38 122.811 122.811 113.839 8.972 25901 23 1 2 . 1 1 38 38 THR H H 38 7.459 7.459 7.906 -0.447 25901 24 1 2 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.861 -1.033 25901 25 1 2 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.430 1.820 25901 26 1 2 . 1 1 40 40 LEU N N 40 121.350 121.350 120.217 1.133 25901 27 1 2 . 1 1 40 40 LEU C C 40 178.067 178.067 175.210 2.857 25901 28 1 2 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.190 1.960 25901 29 1 2 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.531 -4.513 25901 30 1 2 . 1 1 40 40 LEU H H 40 9.073 9.073 7.753 1.320 25901 31 1 2 . 1 1 41 41 SER N N 41 116.449 116.449 120.733 -4.284 25901 32 1 2 . 1 1 41 41 SER CA C 41 61.147 61.147 57.943 3.204 25901 33 1 2 . 1 1 41 41 SER H H 41 8.476 8.476 8.290 0.186 25901 34 1 2 . 1 1 42 42 LYS N N 42 118.883 118.883 126.511 -7.628 25901 35 1 2 . 1 1 42 42 LYS C C 42 179.348 179.348 176.215 3.133 25901 36 1 2 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.978 2.952 25901 37 1 2 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.703 0.139 25901 38 1 2 . 1 1 42 42 LYS H H 42 7.720 7.720 8.365 -0.645 25901 39 1 2 . 1 1 48 48 CYS N N 48 116.931 116.931 119.175 -2.244 25901 40 1 2 . 1 1 48 48 CYS C C 48 177.207 177.207 173.455 3.752 25901 41 1 2 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.693 5.976 25901 42 1 2 . 1 1 48 48 CYS H H 48 8.438 8.438 8.268 0.170 25901 43 1 3 . 1 1 38 38 THR N N 38 122.811 122.811 115.191 7.620 25901 44 1 3 . 1 1 38 38 THR H H 38 7.459 7.459 8.217 -0.758 25901 45 1 3 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.308 -0.480 25901 46 1 3 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.707 1.543 25901 47 1 3 . 1 1 40 40 LEU N N 40 121.350 121.350 120.066 1.284 25901 48 1 3 . 1 1 40 40 LEU C C 40 178.067 178.067 174.797 3.270 25901 49 1 3 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.849 2.301 25901 50 1 3 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.101 -4.083 25901 51 1 3 . 1 1 40 40 LEU H H 40 9.073 9.073 7.684 1.389 25901 52 1 3 . 1 1 41 41 SER N N 41 116.449 116.449 119.421 -2.972 25901 53 1 3 . 1 1 41 41 SER CA C 41 61.147 61.147 57.552 3.595 25901 54 1 3 . 1 1 41 41 SER H H 41 8.476 8.476 8.045 0.431 25901 55 1 3 . 1 1 42 42 LYS N N 42 118.883 118.883 127.660 -8.777 25901 56 1 3 . 1 1 42 42 LYS C C 42 179.348 179.348 175.698 3.650 25901 57 1 3 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.875 4.055 25901 58 1 3 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.118 -0.276 25901 59 1 3 . 1 1 42 42 LYS H H 42 7.720 7.720 8.437 -0.717 25901 60 1 3 . 1 1 48 48 CYS N N 48 116.931 116.931 119.559 -2.628 25901 61 1 3 . 1 1 48 48 CYS C C 48 177.207 177.207 173.406 3.801 25901 62 1 3 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.634 6.035 25901 63 1 3 . 1 1 48 48 CYS H H 48 8.438 8.438 8.302 0.136 25901 64 1 4 . 1 1 38 38 THR N N 38 122.811 122.811 115.631 7.180 25901 65 1 4 . 1 1 38 38 THR H H 38 7.459 7.459 8.335 -0.876 25901 66 1 4 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.592 -0.764 25901 67 1 4 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.263 1.987 25901 68 1 4 . 1 1 40 40 LEU N N 40 121.350 121.350 120.615 0.735 25901 69 1 4 . 1 1 40 40 LEU C C 40 178.067 178.067 174.946 3.121 25901 70 1 4 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.502 2.648 25901 71 1 4 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.674 -3.656 25901 72 1 4 . 1 1 40 40 LEU H H 40 9.073 9.073 8.047 1.026 25901 73 1 4 . 1 1 41 41 SER N N 41 116.449 116.449 122.140 -5.691 25901 74 1 4 . 1 1 41 41 SER CA C 41 61.147 61.147 57.573 3.574 25901 75 1 4 . 1 1 41 41 SER H H 41 8.476 8.476 8.057 0.419 25901 76 1 4 . 1 1 42 42 LYS N N 42 118.883 118.883 128.331 -9.448 25901 77 1 4 . 1 1 42 42 LYS C C 42 179.348 179.348 176.492 2.856 25901 78 1 4 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.680 4.250 25901 79 1 4 . 1 1 42 42 LYS CB C 42 32.842 32.842 31.543 1.299 25901 80 1 4 . 1 1 42 42 LYS H H 42 7.720 7.720 8.560 -0.840 25901 81 1 4 . 1 1 48 48 CYS N N 48 116.931 116.931 119.146 -2.215 25901 82 1 4 . 1 1 48 48 CYS C C 48 177.207 177.207 173.163 4.044 25901 83 1 4 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.632 7.037 25901 84 1 4 . 1 1 48 48 CYS H H 48 8.438 8.438 8.630 -0.192 25901 85 1 5 . 1 1 38 38 THR N N 38 122.811 122.811 117.374 5.437 25901 86 1 5 . 1 1 38 38 THR H H 38 7.459 7.459 8.605 -1.146 25901 87 1 5 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.164 -0.336 25901 88 1 5 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.470 1.780 25901 89 1 5 . 1 1 40 40 LEU N N 40 121.350 121.350 120.934 0.416 25901 90 1 5 . 1 1 40 40 LEU C C 40 178.067 178.067 174.952 3.115 25901 91 1 5 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.033 2.116 25901 92 1 5 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.726 -3.708 25901 93 1 5 . 1 1 40 40 LEU H H 40 9.073 9.073 8.141 0.932 25901 94 1 5 . 1 1 41 41 SER N N 41 116.449 116.449 121.266 -4.817 25901 95 1 5 . 1 1 41 41 SER CA C 41 61.147 61.147 57.240 3.907 25901 96 1 5 . 1 1 41 41 SER H H 41 8.476 8.476 8.094 0.382 25901 97 1 5 . 1 1 42 42 LYS N N 42 118.883 118.883 126.648 -7.765 25901 98 1 5 . 1 1 42 42 LYS C C 42 179.348 179.348 175.498 3.850 25901 99 1 5 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.164 3.766 25901 100 1 5 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.954 -0.112 25901 101 1 5 . 1 1 42 42 LYS H H 42 7.720 7.720 8.509 -0.789 25901 102 1 5 . 1 1 48 48 CYS N N 48 116.931 116.931 120.644 -3.713 25901 103 1 5 . 1 1 48 48 CYS C C 48 177.207 177.207 173.944 3.263 25901 104 1 5 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.964 6.705 25901 105 1 5 . 1 1 48 48 CYS H H 48 8.438 8.438 8.319 0.119 25901 106 1 6 . 1 1 38 38 THR N N 38 122.811 122.811 117.175 5.636 25901 107 1 6 . 1 1 38 38 THR H H 38 7.459 7.459 8.509 -1.050 25901 108 1 6 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.536 -0.708 25901 109 1 6 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.352 1.898 25901 110 1 6 . 1 1 40 40 LEU N N 40 121.350 121.350 120.519 0.831 25901 111 1 6 . 1 1 40 40 LEU C C 40 178.067 178.067 174.778 3.289 25901 112 1 6 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.384 1.766 25901 113 1 6 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.653 -3.635 25901 114 1 6 . 1 1 40 40 LEU H H 40 9.073 9.073 7.946 1.127 25901 115 1 6 . 1 1 41 41 SER N N 41 116.449 116.449 120.968 -4.519 25901 116 1 6 . 1 1 41 41 SER CA C 41 61.147 61.147 57.260 3.887 25901 117 1 6 . 1 1 41 41 SER H H 41 8.476 8.476 7.959 0.517 25901 118 1 6 . 1 1 42 42 LYS N N 42 118.883 118.883 126.456 -7.573 25901 119 1 6 . 1 1 42 42 LYS C C 42 179.348 179.348 175.387 3.961 25901 120 1 6 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.325 3.605 25901 121 1 6 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.914 -0.072 25901 122 1 6 . 1 1 42 42 LYS H H 42 7.720 7.720 8.474 -0.754 25901 123 1 6 . 1 1 48 48 CYS N N 48 116.931 116.931 120.379 -3.448 25901 124 1 6 . 1 1 48 48 CYS C C 48 177.207 177.207 174.232 2.975 25901 125 1 6 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.015 6.654 25901 126 1 6 . 1 1 48 48 CYS H H 48 8.438 8.438 8.814 -0.376 25901 127 1 7 . 1 1 38 38 THR N N 38 122.811 122.811 117.461 5.350 25901 128 1 7 . 1 1 38 38 THR H H 38 7.459 7.459 8.585 -1.126 25901 129 1 7 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.142 -0.314 25901 130 1 7 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.357 1.893 25901 131 1 7 . 1 1 40 40 LEU N N 40 121.350 121.350 121.192 0.158 25901 132 1 7 . 1 1 40 40 LEU C C 40 178.067 178.067 174.758 3.309 25901 133 1 7 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.391 1.759 25901 134 1 7 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.215 -4.197 25901 135 1 7 . 1 1 40 40 LEU H H 40 9.073 9.073 7.748 1.325 25901 136 1 7 . 1 1 41 41 SER N N 41 116.449 116.449 119.105 -2.656 25901 137 1 7 . 1 1 41 41 SER CA C 41 61.147 61.147 57.730 3.417 25901 138 1 7 . 1 1 41 41 SER H H 41 8.476 8.476 8.112 0.364 25901 139 1 7 . 1 1 42 42 LYS N N 42 118.883 118.883 126.145 -7.262 25901 140 1 7 . 1 1 42 42 LYS C C 42 179.348 179.348 175.668 3.680 25901 141 1 7 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.330 3.600 25901 142 1 7 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.770 0.072 25901 143 1 7 . 1 1 42 42 LYS H H 42 7.720 7.720 8.375 -0.655 25901 144 1 7 . 1 1 48 48 CYS N N 48 116.931 116.931 121.160 -4.229 25901 145 1 7 . 1 1 48 48 CYS C C 48 177.207 177.207 174.266 2.941 25901 146 1 7 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.009 6.660 25901 147 1 7 . 1 1 48 48 CYS H H 48 8.438 8.438 8.843 -0.405 25901 148 1 8 . 1 1 38 38 THR N N 38 122.811 122.811 114.402 8.409 25901 149 1 8 . 1 1 38 38 THR H H 38 7.459 7.459 8.045 -0.586 25901 150 1 8 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.528 -0.700 25901 151 1 8 . 1 1 39 39 PRO CB C 39 32.250 32.250 31.593 0.657 25901 152 1 8 . 1 1 40 40 LEU N N 40 121.350 121.350 120.710 0.640 25901 153 1 8 . 1 1 40 40 LEU C C 40 178.067 178.067 175.046 3.021 25901 154 1 8 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.011 2.139 25901 155 1 8 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.198 -3.180 25901 156 1 8 . 1 1 40 40 LEU H H 40 9.073 9.073 7.853 1.220 25901 157 1 8 . 1 1 41 41 SER N N 41 116.449 116.449 121.779 -5.330 25901 158 1 8 . 1 1 41 41 SER CA C 41 61.147 61.147 57.229 3.918 25901 159 1 8 . 1 1 41 41 SER H H 41 8.476 8.476 7.999 0.477 25901 160 1 8 . 1 1 42 42 LYS N N 42 118.883 118.883 125.330 -6.447 25901 161 1 8 . 1 1 42 42 LYS C C 42 179.348 179.348 175.407 3.941 25901 162 1 8 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.567 3.363 25901 163 1 8 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.641 -0.799 25901 164 1 8 . 1 1 42 42 LYS H H 42 7.720 7.720 8.420 -0.700 25901 165 1 8 . 1 1 48 48 CYS N N 48 116.931 116.931 121.324 -4.393 25901 166 1 8 . 1 1 48 48 CYS C C 48 177.207 177.207 173.776 3.431 25901 167 1 8 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.674 6.995 25901 168 1 8 . 1 1 48 48 CYS H H 48 8.438 8.438 8.706 -0.268 25901 169 1 9 . 1 1 38 38 THR N N 38 122.811 122.811 115.313 7.498 25901 170 1 9 . 1 1 38 38 THR H H 38 7.459 7.459 8.243 -0.784 25901 171 1 9 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.669 -0.841 25901 172 1 9 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.765 1.484 25901 173 1 9 . 1 1 40 40 LEU N N 40 121.350 121.350 120.506 0.844 25901 174 1 9 . 1 1 40 40 LEU C C 40 178.067 178.067 174.558 3.509 25901 175 1 9 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.188 1.962 25901 176 1 9 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.986 -3.968 25901 177 1 9 . 1 1 40 40 LEU H H 40 9.073 9.073 7.642 1.431 25901 178 1 9 . 1 1 41 41 SER N N 41 116.449 116.449 120.017 -3.568 25901 179 1 9 . 1 1 41 41 SER CA C 41 61.147 61.147 57.884 3.263 25901 180 1 9 . 1 1 41 41 SER H H 41 8.476 8.476 7.990 0.486 25901 181 1 9 . 1 1 42 42 LYS N N 42 118.883 118.883 127.263 -8.380 25901 182 1 9 . 1 1 42 42 LYS C C 42 179.348 179.348 175.583 3.765 25901 183 1 9 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.954 3.976 25901 184 1 9 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.683 -0.841 25901 185 1 9 . 1 1 42 42 LYS H H 42 7.720 7.720 8.479 -0.759 25901 186 1 9 . 1 1 48 48 CYS N N 48 116.931 116.931 120.239 -3.308 25901 187 1 9 . 1 1 48 48 CYS C C 48 177.207 177.207 174.300 2.907 25901 188 1 9 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.016 6.653 25901 189 1 9 . 1 1 48 48 CYS H H 48 8.438 8.438 8.738 -0.300 25901 190 1 10 . 1 1 38 38 THR N N 38 122.811 122.811 114.973 7.838 25901 191 1 10 . 1 1 38 38 THR H H 38 7.459 7.459 8.189 -0.730 25901 192 1 10 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.316 -0.488 25901 193 1 10 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.398 1.852 25901 194 1 10 . 1 1 40 40 LEU N N 40 121.350 121.350 121.355 -0.005 25901 195 1 10 . 1 1 40 40 LEU C C 40 178.067 178.067 174.514 3.553 25901 196 1 10 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.093 2.057 25901 197 1 10 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.171 -3.153 25901 198 1 10 . 1 1 40 40 LEU H H 40 9.073 9.073 7.444 1.629 25901 199 1 10 . 1 1 41 41 SER N N 41 116.449 116.449 121.040 -4.591 25901 200 1 10 . 1 1 41 41 SER CA C 41 61.147 61.147 57.378 3.769 25901 201 1 10 . 1 1 41 41 SER H H 41 8.476 8.476 8.045 0.431 25901 202 1 10 . 1 1 42 42 LYS N N 42 118.883 118.883 127.981 -9.098 25901 203 1 10 . 1 1 42 42 LYS C C 42 179.348 179.348 175.534 3.814 25901 204 1 10 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.207 3.723 25901 205 1 10 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.078 -0.236 25901 206 1 10 . 1 1 42 42 LYS H H 42 7.720 7.720 8.544 -0.824 25901 207 1 10 . 1 1 48 48 CYS N N 48 116.931 116.931 120.887 -3.956 25901 208 1 10 . 1 1 48 48 CYS C C 48 177.207 177.207 173.292 3.915 25901 209 1 10 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.467 7.202 25901 210 1 10 . 1 1 48 48 CYS H H 48 8.438 8.438 8.706 -0.268 25901 211 1 11 . 1 1 38 38 THR N N 38 122.811 122.811 113.915 8.896 25901 212 1 11 . 1 1 38 38 THR H H 38 7.459 7.459 7.965 -0.506 25901 213 1 11 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.885 -1.057 25901 214 1 11 . 1 1 39 39 PRO CB C 39 32.250 32.250 31.722 0.528 25901 215 1 11 . 1 1 40 40 LEU N N 40 121.350 121.350 120.473 0.877 25901 216 1 11 . 1 1 40 40 LEU C C 40 178.067 178.067 174.801 3.266 25901 217 1 11 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.557 2.593 25901 218 1 11 . 1 1 40 40 LEU CB C 40 41.018 41.018 43.730 -2.712 25901 219 1 11 . 1 1 40 40 LEU H H 40 9.073 9.073 7.553 1.520 25901 220 1 11 . 1 1 41 41 SER N N 41 116.449 116.449 121.617 -5.168 25901 221 1 11 . 1 1 41 41 SER CA C 41 61.147 61.147 57.222 3.925 25901 222 1 11 . 1 1 41 41 SER H H 41 8.476 8.476 8.365 0.111 25901 223 1 11 . 1 1 42 42 LYS N N 42 118.883 118.883 127.642 -8.759 25901 224 1 11 . 1 1 42 42 LYS C C 42 179.348 179.348 175.707 3.641 25901 225 1 11 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.475 3.455 25901 226 1 11 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.368 0.474 25901 227 1 11 . 1 1 42 42 LYS H H 42 7.720 7.720 8.485 -0.765 25901 228 1 11 . 1 1 48 48 CYS N N 48 116.931 116.931 121.943 -5.012 25901 229 1 11 . 1 1 48 48 CYS C C 48 177.207 177.207 173.139 4.068 25901 230 1 11 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.566 6.103 25901 231 1 11 . 1 1 48 48 CYS H H 48 8.438 8.438 8.596 -0.158 25901 232 1 12 . 1 1 38 38 THR N N 38 122.811 122.811 114.348 8.463 25901 233 1 12 . 1 1 38 38 THR H H 38 7.459 7.459 8.257 -0.798 25901 234 1 12 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.788 -0.960 25901 235 1 12 . 1 1 39 39 PRO CB C 39 32.250 32.250 32.163 0.087 25901 236 1 12 . 1 1 40 40 LEU N N 40 121.350 121.350 121.649 -0.299 25901 237 1 12 . 1 1 40 40 LEU C C 40 178.067 178.067 175.474 2.593 25901 238 1 12 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.567 2.583 25901 239 1 12 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.184 -4.166 25901 240 1 12 . 1 1 40 40 LEU H H 40 9.073 9.073 7.942 1.131 25901 241 1 12 . 1 1 41 41 SER N N 41 116.449 116.449 123.348 -6.899 25901 242 1 12 . 1 1 41 41 SER CA C 41 61.147 61.147 57.781 3.366 25901 243 1 12 . 1 1 41 41 SER H H 41 8.476 8.476 8.029 0.447 25901 244 1 12 . 1 1 42 42 LYS N N 42 118.883 118.883 127.016 -8.133 25901 245 1 12 . 1 1 42 42 LYS C C 42 179.348 179.348 176.150 3.198 25901 246 1 12 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.499 3.431 25901 247 1 12 . 1 1 42 42 LYS CB C 42 32.842 32.842 31.963 0.879 25901 248 1 12 . 1 1 42 42 LYS H H 42 7.720 7.720 8.377 -0.657 25901 249 1 12 . 1 1 48 48 CYS N N 48 116.931 116.931 120.091 -3.160 25901 250 1 12 . 1 1 48 48 CYS C C 48 177.207 177.207 174.411 2.796 25901 251 1 12 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.322 6.347 25901 252 1 12 . 1 1 48 48 CYS H H 48 8.438 8.438 8.867 -0.429 25901 253 1 13 . 1 1 38 38 THR N N 38 122.811 122.811 114.650 8.161 25901 254 1 13 . 1 1 38 38 THR H H 38 7.459 7.459 8.059 -0.600 25901 255 1 13 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.543 -0.715 25901 256 1 13 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.493 1.757 25901 257 1 13 . 1 1 40 40 LEU N N 40 121.350 121.350 120.606 0.744 25901 258 1 13 . 1 1 40 40 LEU C C 40 178.067 178.067 174.820 3.247 25901 259 1 13 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.137 2.013 25901 260 1 13 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.964 -3.946 25901 261 1 13 . 1 1 40 40 LEU H H 40 9.073 9.073 7.724 1.349 25901 262 1 13 . 1 1 41 41 SER N N 41 116.449 116.449 119.328 -2.879 25901 263 1 13 . 1 1 41 41 SER CA C 41 61.147 61.147 57.616 3.531 25901 264 1 13 . 1 1 41 41 SER H H 41 8.476 8.476 7.967 0.509 25901 265 1 13 . 1 1 42 42 LYS N N 42 118.883 118.883 126.530 -7.647 25901 266 1 13 . 1 1 42 42 LYS C C 42 179.348 179.348 176.005 3.343 25901 267 1 13 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.782 4.148 25901 268 1 13 . 1 1 42 42 LYS CB C 42 32.842 32.842 34.611 -1.769 25901 269 1 13 . 1 1 42 42 LYS H H 42 7.720 7.720 8.624 -0.904 25901 270 1 13 . 1 1 48 48 CYS N N 48 116.931 116.931 121.012 -4.081 25901 271 1 13 . 1 1 48 48 CYS C C 48 177.207 177.207 174.689 2.518 25901 272 1 13 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.619 7.050 25901 273 1 13 . 1 1 48 48 CYS H H 48 8.438 8.438 8.487 -0.049 25901 274 1 14 . 1 1 38 38 THR N N 38 122.811 122.811 114.407 8.404 25901 275 1 14 . 1 1 38 38 THR H H 38 7.459 7.459 7.980 -0.521 25901 276 1 14 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.282 -0.454 25901 277 1 14 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.470 1.780 25901 278 1 14 . 1 1 40 40 LEU N N 40 121.350 121.350 121.144 0.206 25901 279 1 14 . 1 1 40 40 LEU C C 40 178.067 178.067 174.869 3.198 25901 280 1 14 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.352 1.798 25901 281 1 14 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.707 -3.689 25901 282 1 14 . 1 1 40 40 LEU H H 40 9.073 9.073 7.766 1.307 25901 283 1 14 . 1 1 41 41 SER N N 41 116.449 116.449 120.646 -4.197 25901 284 1 14 . 1 1 41 41 SER CA C 41 61.147 61.147 57.018 4.129 25901 285 1 14 . 1 1 41 41 SER H H 41 8.476 8.476 8.057 0.419 25901 286 1 14 . 1 1 42 42 LYS N N 42 118.883 118.883 125.950 -7.067 25901 287 1 14 . 1 1 42 42 LYS C C 42 179.348 179.348 175.428 3.920 25901 288 1 14 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.683 4.247 25901 289 1 14 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.614 -0.772 25901 290 1 14 . 1 1 42 42 LYS H H 42 7.720 7.720 8.444 -0.724 25901 291 1 14 . 1 1 48 48 CYS N N 48 116.931 116.931 123.007 -6.076 25901 292 1 14 . 1 1 48 48 CYS C C 48 177.207 177.207 174.865 2.342 25901 293 1 14 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.172 6.497 25901 294 1 14 . 1 1 48 48 CYS H H 48 8.438 8.438 8.522 -0.084 25901 295 1 15 . 1 1 38 38 THR N N 38 122.811 122.811 113.782 9.029 25901 296 1 15 . 1 1 38 38 THR H H 38 7.459 7.459 7.882 -0.423 25901 297 1 15 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.393 -0.565 25901 298 1 15 . 1 1 39 39 PRO CB C 39 32.250 32.250 31.930 0.320 25901 299 1 15 . 1 1 40 40 LEU N N 40 121.350 121.350 120.416 0.934 25901 300 1 15 . 1 1 40 40 LEU C C 40 178.067 178.067 174.752 3.315 25901 301 1 15 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.639 2.511 25901 302 1 15 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.430 -4.412 25901 303 1 15 . 1 1 40 40 LEU H H 40 9.073 9.073 7.769 1.304 25901 304 1 15 . 1 1 41 41 SER N N 41 116.449 116.449 118.815 -2.366 25901 305 1 15 . 1 1 41 41 SER CA C 41 61.147 61.147 57.639 3.508 25901 306 1 15 . 1 1 41 41 SER H H 41 8.476 8.476 7.836 0.640 25901 307 1 15 . 1 1 42 42 LYS N N 42 118.883 118.883 127.536 -8.653 25901 308 1 15 . 1 1 42 42 LYS C C 42 179.348 179.348 175.577 3.771 25901 309 1 15 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.942 3.988 25901 310 1 15 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.300 -0.458 25901 311 1 15 . 1 1 42 42 LYS H H 42 7.720 7.720 8.529 -0.809 25901 312 1 15 . 1 1 48 48 CYS N N 48 116.931 116.931 121.734 -4.803 25901 313 1 15 . 1 1 48 48 CYS C C 48 177.207 177.207 173.863 3.344 25901 314 1 15 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.606 7.063 25901 315 1 15 . 1 1 48 48 CYS H H 48 8.438 8.438 8.678 -0.240 25901 316 1 16 . 1 1 38 38 THR N N 38 122.811 122.811 114.531 8.280 25901 317 1 16 . 1 1 38 38 THR H H 38 7.459 7.459 8.370 -0.911 25901 318 1 16 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.757 -0.929 25901 319 1 16 . 1 1 39 39 PRO CB C 39 32.250 32.250 31.502 0.748 25901 320 1 16 . 1 1 40 40 LEU N N 40 121.350 121.350 120.389 0.961 25901 321 1 16 . 1 1 40 40 LEU C C 40 178.067 178.067 175.198 2.869 25901 322 1 16 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.797 2.353 25901 323 1 16 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.283 -4.265 25901 324 1 16 . 1 1 40 40 LEU H H 40 9.073 9.073 7.731 1.342 25901 325 1 16 . 1 1 41 41 SER N N 41 116.449 116.449 118.598 -2.149 25901 326 1 16 . 1 1 41 41 SER CA C 41 61.147 61.147 57.444 3.703 25901 327 1 16 . 1 1 41 41 SER H H 41 8.476 8.476 7.914 0.562 25901 328 1 16 . 1 1 42 42 LYS N N 42 118.883 118.883 125.360 -6.477 25901 329 1 16 . 1 1 42 42 LYS C C 42 179.348 179.348 175.717 3.631 25901 330 1 16 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.369 3.561 25901 331 1 16 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.148 -0.306 25901 332 1 16 . 1 1 42 42 LYS H H 42 7.720 7.720 8.410 -0.690 25901 333 1 16 . 1 1 48 48 CYS N N 48 116.931 116.931 121.496 -4.565 25901 334 1 16 . 1 1 48 48 CYS C C 48 177.207 177.207 174.721 2.486 25901 335 1 16 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.081 6.588 25901 336 1 16 . 1 1 48 48 CYS H H 48 8.438 8.438 8.887 -0.449 25901 337 1 17 . 1 1 38 38 THR N N 38 122.811 122.811 114.341 8.470 25901 338 1 17 . 1 1 38 38 THR H H 38 7.459 7.459 8.054 -0.595 25901 339 1 17 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.955 -1.127 25901 340 1 17 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.598 1.652 25901 341 1 17 . 1 1 40 40 LEU N N 40 121.350 121.350 120.707 0.643 25901 342 1 17 . 1 1 40 40 LEU C C 40 178.067 178.067 174.817 3.250 25901 343 1 17 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.183 1.967 25901 344 1 17 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.624 -3.606 25901 345 1 17 . 1 1 40 40 LEU H H 40 9.073 9.073 7.712 1.361 25901 346 1 17 . 1 1 41 41 SER N N 41 116.449 116.449 120.635 -4.186 25901 347 1 17 . 1 1 41 41 SER CA C 41 61.147 61.147 57.966 3.181 25901 348 1 17 . 1 1 41 41 SER H H 41 8.476 8.476 8.272 0.204 25901 349 1 17 . 1 1 42 42 LYS N N 42 118.883 118.883 126.882 -7.999 25901 350 1 17 . 1 1 42 42 LYS C C 42 179.348 179.348 175.837 3.511 25901 351 1 17 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.322 3.608 25901 352 1 17 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.081 -0.239 25901 353 1 17 . 1 1 42 42 LYS H H 42 7.720 7.720 8.443 -0.723 25901 354 1 17 . 1 1 48 48 CYS N N 48 116.931 116.931 120.343 -3.412 25901 355 1 17 . 1 1 48 48 CYS C C 48 177.207 177.207 173.950 3.257 25901 356 1 17 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.260 6.409 25901 357 1 17 . 1 1 48 48 CYS H H 48 8.438 8.438 8.880 -0.442 25901 358 1 18 . 1 1 38 38 THR N N 38 122.811 122.811 114.665 8.146 25901 359 1 18 . 1 1 38 38 THR H H 38 7.459 7.459 8.259 -0.800 25901 360 1 18 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.409 -0.581 25901 361 1 18 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.820 1.430 25901 362 1 18 . 1 1 40 40 LEU N N 40 121.350 121.350 121.134 0.216 25901 363 1 18 . 1 1 40 40 LEU C C 40 178.067 178.067 174.967 3.100 25901 364 1 18 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.924 2.226 25901 365 1 18 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.503 -3.485 25901 366 1 18 . 1 1 40 40 LEU H H 40 9.073 9.073 7.697 1.376 25901 367 1 18 . 1 1 41 41 SER N N 41 116.449 116.449 121.398 -4.949 25901 368 1 18 . 1 1 41 41 SER CA C 41 61.147 61.147 57.214 3.933 25901 369 1 18 . 1 1 41 41 SER H H 41 8.476 8.476 7.661 0.815 25901 370 1 18 . 1 1 42 42 LYS N N 42 118.883 118.883 127.625 -8.742 25901 371 1 18 . 1 1 42 42 LYS C C 42 179.348 179.348 175.576 3.772 25901 372 1 18 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.150 3.780 25901 373 1 18 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.163 -0.321 25901 374 1 18 . 1 1 42 42 LYS H H 42 7.720 7.720 8.543 -0.823 25901 375 1 18 . 1 1 48 48 CYS N N 48 116.931 116.931 121.457 -4.526 25901 376 1 18 . 1 1 48 48 CYS C C 48 177.207 177.207 174.470 2.737 25901 377 1 18 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.718 6.951 25901 378 1 18 . 1 1 48 48 CYS H H 48 8.438 8.438 8.692 -0.254 25901 379 1 19 . 1 1 38 38 THR N N 38 122.811 122.811 114.691 8.120 25901 380 1 19 . 1 1 38 38 THR H H 38 7.459 7.459 8.220 -0.761 25901 381 1 19 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.726 -0.898 25901 382 1 19 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.190 2.060 25901 383 1 19 . 1 1 40 40 LEU N N 40 121.350 121.350 120.429 0.921 25901 384 1 19 . 1 1 40 40 LEU C C 40 178.067 178.067 174.906 3.161 25901 385 1 19 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.266 1.884 25901 386 1 19 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.740 -3.722 25901 387 1 19 . 1 1 40 40 LEU H H 40 9.073 9.073 7.793 1.280 25901 388 1 19 . 1 1 41 41 SER N N 41 116.449 116.449 121.296 -4.847 25901 389 1 19 . 1 1 41 41 SER CA C 41 61.147 61.147 57.675 3.472 25901 390 1 19 . 1 1 41 41 SER H H 41 8.476 8.476 8.017 0.459 25901 391 1 19 . 1 1 42 42 LYS N N 42 118.883 118.883 127.387 -8.504 25901 392 1 19 . 1 1 42 42 LYS C C 42 179.348 179.348 175.475 3.873 25901 393 1 19 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.198 3.732 25901 394 1 19 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.983 -0.141 25901 395 1 19 . 1 1 42 42 LYS H H 42 7.720 7.720 8.548 -0.828 25901 396 1 19 . 1 1 48 48 CYS N N 48 116.931 116.931 121.668 -4.737 25901 397 1 19 . 1 1 48 48 CYS C C 48 177.207 177.207 174.229 2.978 25901 398 1 19 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.258 6.411 25901 399 1 19 . 1 1 48 48 CYS H H 48 8.438 8.438 8.849 -0.411 25901 400 1 20 . 1 1 38 38 THR N N 38 122.811 122.811 114.252 8.559 25901 401 1 20 . 1 1 38 38 THR H H 38 7.459 7.459 8.050 -0.591 25901 402 1 20 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.946 -1.118 25901 403 1 20 . 1 1 39 39 PRO CB C 39 32.250 32.250 31.416 0.834 25901 404 1 20 . 1 1 40 40 LEU N N 40 121.350 121.350 119.054 2.296 25901 405 1 20 . 1 1 40 40 LEU C C 40 178.067 178.067 174.639 3.428 25901 406 1 20 . 1 1 40 40 LEU CA C 40 57.150 57.150 53.646 3.504 25901 407 1 20 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.443 -4.425 25901 408 1 20 . 1 1 40 40 LEU H H 40 9.073 9.073 7.333 1.740 25901 409 1 20 . 1 1 41 41 SER N N 41 116.449 116.449 118.479 -2.030 25901 410 1 20 . 1 1 41 41 SER CA C 41 61.147 61.147 57.417 3.730 25901 411 1 20 . 1 1 41 41 SER H H 41 8.476 8.476 7.954 0.522 25901 412 1 20 . 1 1 42 42 LYS N N 42 118.883 118.883 124.022 -5.139 25901 413 1 20 . 1 1 42 42 LYS C C 42 179.348 179.348 175.285 4.063 25901 414 1 20 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.499 3.431 25901 415 1 20 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.953 -1.111 25901 416 1 20 . 1 1 42 42 LYS H H 42 7.720 7.720 8.400 -0.680 25901 417 1 20 . 1 1 48 48 CYS N N 48 116.931 116.931 121.604 -4.673 25901 418 1 20 . 1 1 48 48 CYS C C 48 177.207 177.207 174.120 3.087 25901 419 1 20 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.211 6.458 25901 420 1 20 . 1 1 48 48 CYS H H 48 8.438 8.438 8.899 -0.461 25901 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 5.401 1.964 5.625 25901 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25901 3 1 1 "Average Difference" C 3 3.605 -3.597 0.291 25901 4 1 1 "Average Difference" CA 5 3.890 -3.103 2.623 25901 5 1 1 "Average Difference" CB 3 2.281 0.599 2.696 25901 6 1 1 "Average Difference" HN 5 0.788 -0.121 0.871 25901 7 1 2 "Average Difference" N 5 5.716 0.810 6.326 25901 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25901 9 1 2 "Average Difference" C 3 3.269 -3.247 0.458 25901 10 1 2 "Average Difference" CA 5 3.453 -2.612 2.525 25901 11 1 2 "Average Difference" CB 3 2.811 0.852 3.281 25901 12 1 2 "Average Difference" HN 5 0.696 -0.117 0.767 25901 13 1 3 "Average Difference" N 5 5.522 1.095 6.052 25901 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25901 15 1 3 "Average Difference" C 3 3.581 -3.574 0.274 25901 16 1 3 "Average Difference" CA 5 3.777 -3.101 2.410 25901 17 1 3 "Average Difference" CB 3 2.525 0.939 2.871 25901 18 1 3 "Average Difference" HN 5 0.803 -0.096 0.891 25901 19 1 4 "Average Difference" N 5 5.977 1.888 6.341 25901 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25901 21 1 4 "Average Difference" C 3 3.379 -3.340 0.624 25901 22 1 4 "Average Difference" CA 5 4.194 -3.349 2.823 25901 23 1 4 "Average Difference" CB 3 2.516 0.123 3.078 25901 24 1 4 "Average Difference" HN 5 0.740 0.093 0.821 25901 25 1 5 "Average Difference" N 5 5.040 2.088 5.129 25901 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25901 27 1 5 "Average Difference" C 3 3.424 -3.409 0.389 25901 28 1 5 "Average Difference" CA 5 3.975 -3.232 2.587 25901 29 1 5 "Average Difference" CB 3 2.376 0.680 2.788 25901 30 1 5 "Average Difference" HN 5 0.770 0.101 0.853 25901 31 1 6 "Average Difference" N 5 4.942 1.815 5.139 25901 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25901 33 1 6 "Average Difference" C 3 3.433 -3.408 0.504 25901 34 1 6 "Average Difference" CA 5 3.899 -3.041 2.728 25901 35 1 6 "Average Difference" CB 3 2.368 0.603 2.804 25901 36 1 6 "Average Difference" HN 5 0.819 0.107 0.907 25901 37 1 7 "Average Difference" N 5 4.611 1.728 4.780 25901 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25901 39 1 7 "Average Difference" C 3 3.324 -3.310 0.370 25901 40 1 7 "Average Difference" CA 5 3.800 -3.024 2.571 25901 41 1 7 "Average Difference" CB 3 2.659 0.744 3.126 25901 42 1 7 "Average Difference" HN 5 0.866 0.100 0.962 25901 43 1 8 "Average Difference" N 5 5.664 1.424 6.129 25901 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25901 45 1 8 "Average Difference" C 3 3.485 -3.464 0.461 25901 46 1 8 "Average Difference" CA 5 4.016 -3.143 2.796 25901 47 1 8 "Average Difference" CB 3 1.931 1.108 1.937 25901 48 1 8 "Average Difference" HN 5 0.724 -0.029 0.809 25901 49 1 9 "Average Difference" N 5 5.492 1.383 5.943 25901 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25901 51 1 9 "Average Difference" C 3 3.413 -3.394 0.440 25901 52 1 9 "Average Difference" CA 5 3.880 -3.003 2.747 25901 53 1 9 "Average Difference" CB 3 2.494 1.108 2.736 25901 54 1 9 "Average Difference" HN 5 0.844 -0.015 0.944 25901 55 1 10 "Average Difference" N 5 6.016 1.962 6.358 25901 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25901 57 1 10 "Average Difference" C 3 3.764 -3.761 0.187 25901 58 1 10 "Average Difference" CA 5 4.108 -3.252 2.807 25901 59 1 10 "Average Difference" CB 3 2.116 0.512 2.514 25901 60 1 10 "Average Difference" HN 5 0.908 -0.048 1.014 25901 61 1 11 "Average Difference" N 5 6.457 1.833 6.922 25901 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25901 63 1 11 "Average Difference" C 3 3.673 -3.658 0.401 25901 64 1 11 "Average Difference" CA 5 3.806 -3.004 2.613 25901 65 1 11 "Average Difference" CB 3 1.618 0.570 1.855 25901 66 1 11 "Average Difference" HN 5 0.799 -0.041 0.892 25901 67 1 12 "Average Difference" N 5 6.252 2.006 6.621 25901 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 25901 69 1 12 "Average Difference" C 3 2.873 -2.862 0.308 25901 70 1 12 "Average Difference" CA 5 3.768 -2.953 2.616 25901 71 1 12 "Average Difference" CB 3 2.458 1.067 2.713 25901 72 1 12 "Average Difference" HN 5 0.739 0.061 0.823 25901 73 1 13 "Average Difference" N 5 5.488 1.140 6.002 25901 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 25901 75 1 13 "Average Difference" C 3 3.058 -3.036 0.451 25901 76 1 13 "Average Difference" CA 5 4.097 -3.205 2.853 25901 77 1 13 "Average Difference" CB 3 2.695 1.320 2.878 25901 78 1 13 "Average Difference" HN 5 0.807 -0.061 0.900 25901 79 1 14 "Average Difference" N 5 5.919 1.746 6.323 25901 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 25901 81 1 14 "Average Difference" C 3 3.219 -3.153 0.790 25901 82 1 14 "Average Difference" CA 5 4.018 -3.243 2.652 25901 83 1 14 "Average Difference" CB 3 2.407 0.894 2.737 25901 84 1 14 "Average Difference" HN 5 0.733 -0.080 0.815 25901 85 1 15 "Average Difference" N 5 6.098 1.172 6.691 25901 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 25901 87 1 15 "Average Difference" C 3 3.483 -3.477 0.255 25901 88 1 15 "Average Difference" CA 5 4.117 -3.301 2.749 25901 89 1 15 "Average Difference" CB 3 2.568 1.517 2.537 25901 90 1 15 "Average Difference" HN 5 0.775 -0.094 0.860 25901 91 1 16 "Average Difference" N 5 5.232 0.790 5.783 25901 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 25901 93 1 16 "Average Difference" C 3 3.033 -2.995 0.583 25901 94 1 16 "Average Difference" CA 5 3.904 -3.055 2.717 25901 95 1 16 "Average Difference" CB 3 2.506 1.274 2.643 25901 96 1 16 "Average Difference" HN 5 0.851 0.029 0.951 25901 97 1 17 "Average Difference" N 5 5.750 1.297 6.263 25901 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 25901 99 1 17 "Average Difference" C 3 3.342 -3.339 0.149 25901 100 1 17 "Average Difference" CA 5 3.724 -2.808 2.736 25901 101 1 17 "Average Difference" CB 3 2.294 0.731 2.663 25901 102 1 17 "Average Difference" HN 5 0.770 0.039 0.860 25901 103 1 18 "Average Difference" N 5 6.129 1.971 6.488 25901 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 25901 105 1 18 "Average Difference" C 3 3.232 -3.203 0.525 25901 106 1 18 "Average Difference" CA 5 4.083 -3.262 2.746 25901 107 1 18 "Average Difference" CB 3 2.183 0.792 2.491 25901 108 1 18 "Average Difference" HN 5 0.888 -0.063 0.990 25901 109 1 19 "Average Difference" N 5 6.083 1.809 6.494 25901 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 25901 111 1 19 "Average Difference" C 3 3.360 -3.337 0.473 25901 112 1 19 "Average Difference" CA 5 3.780 -2.920 2.683 25901 113 1 19 "Average Difference" CB 3 2.458 0.601 2.918 25901 114 1 19 "Average Difference" HN 5 0.811 0.052 0.904 25901 115 1 20 "Average Difference" N 5 5.117 0.197 5.716 25901 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 25901 117 1 20 "Average Difference" C 3 3.549 -3.526 0.495 25901 118 1 20 "Average Difference" CA 5 4.023 -3.201 2.724 25901 119 1 20 "Average Difference" CB 3 2.678 1.567 2.659 25901 120 1 20 "Average Difference" HN 5 0.930 -0.106 1.033 25901 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 25901 _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 38 38 THR N N 38 122.811 122.811 115.041 7.770 25901 2 1 . 1 1 38 38 THR H H 38 7.459 7.459 8.192 -0.733 25901 3 1 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.561 -0.733 25901 4 1 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.845 1.405 25901 5 1 . 1 1 40 40 LEU N N 40 121.350 121.350 120.703 0.647 25901 6 1 . 1 1 40 40 LEU C C 40 178.067 178.067 174.853 3.214 25901 7 1 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.946 2.204 25901 8 1 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.813 -3.795 25901 9 1 . 1 1 40 40 LEU H H 40 9.073 9.073 7.753 1.320 25901 10 1 . 1 1 41 41 SER N N 41 116.449 116.449 120.545 -4.096 25901 11 1 . 1 1 41 41 SER CA C 41 61.147 61.147 57.510 3.637 25901 12 1 . 1 1 41 41 SER H H 41 8.476 8.476 8.028 0.448 25901 13 1 . 1 1 42 42 LYS N N 42 118.883 118.883 126.759 -7.876 25901 14 1 . 1 1 42 42 LYS C C 42 179.348 179.348 175.693 3.655 25901 15 1 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.199 3.731 25901 16 1 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.091 -0.249 25901 17 1 . 1 1 42 42 LYS H H 42 7.720 7.720 8.474 -0.754 25901 18 1 . 1 1 48 48 CYS N N 48 116.931 116.931 120.905 -3.974 25901 19 1 . 1 1 48 48 CYS C C 48 177.207 177.207 174.012 3.195 25901 20 1 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.055 6.614 25901 21 1 . 1 1 48 48 CYS H H 48 8.438 8.438 8.647 -0.209 25901 stop_ save_