data_25490 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25490 _Entry.PDB_ID 2MZK 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 25490 _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 13 13 ALA N N 13 119.950 119.950 123.786 -3.836 25490 2 1 1 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.326 0.752 25490 3 1 1 . 1 1 13 13 ALA C C 13 180.610 180.610 177.323 3.287 25490 4 1 1 . 1 1 13 13 ALA CA C 13 54.872 54.872 53.056 1.816 25490 5 1 1 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.154 -0.272 25490 6 1 1 . 1 1 13 13 ALA H H 13 7.893 7.893 7.114 0.779 25490 7 1 1 . 1 1 17 17 ALA N N 17 120.700 120.700 122.543 -1.843 25490 8 1 1 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.340 -0.143 25490 9 1 1 . 1 1 17 17 ALA C C 17 178.610 178.610 176.980 1.630 25490 10 1 1 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.324 1.418 25490 11 1 1 . 1 1 17 17 ALA CB C 17 18.506 18.506 19.941 -1.435 25490 12 1 1 . 1 1 17 17 ALA H H 17 7.727 7.727 8.158 -0.431 25490 13 1 2 . 1 1 13 13 ALA N N 13 119.950 119.950 123.563 -3.613 25490 14 1 2 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.485 0.593 25490 15 1 2 . 1 1 13 13 ALA C C 13 180.610 180.610 177.165 3.445 25490 16 1 2 . 1 1 13 13 ALA CA C 13 54.872 54.872 52.472 2.400 25490 17 1 2 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.281 -0.399 25490 18 1 2 . 1 1 13 13 ALA H H 13 7.893 7.893 7.222 0.671 25490 19 1 2 . 1 1 17 17 ALA N N 17 120.700 120.700 121.629 -0.929 25490 20 1 2 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.360 -0.163 25490 21 1 2 . 1 1 17 17 ALA C C 17 178.610 178.610 177.006 1.604 25490 22 1 2 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.447 1.295 25490 23 1 2 . 1 1 17 17 ALA CB C 17 18.506 18.506 20.156 -1.650 25490 24 1 2 . 1 1 17 17 ALA H H 17 7.727 7.727 8.203 -0.476 25490 25 1 3 . 1 1 13 13 ALA N N 13 119.950 119.950 124.324 -4.374 25490 26 1 3 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.601 0.477 25490 27 1 3 . 1 1 13 13 ALA C C 13 180.610 180.610 177.226 3.384 25490 28 1 3 . 1 1 13 13 ALA CA C 13 54.872 54.872 52.638 2.234 25490 29 1 3 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.600 -0.718 25490 30 1 3 . 1 1 13 13 ALA H H 13 7.893 7.893 8.280 -0.387 25490 31 1 3 . 1 1 17 17 ALA N N 17 120.700 120.700 122.382 -1.682 25490 32 1 3 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.303 -0.106 25490 33 1 3 . 1 1 17 17 ALA C C 17 178.610 178.610 177.362 1.248 25490 34 1 3 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.710 1.032 25490 35 1 3 . 1 1 17 17 ALA CB C 17 18.506 18.506 20.029 -1.523 25490 36 1 3 . 1 1 17 17 ALA H H 17 7.727 7.727 8.278 -0.551 25490 37 1 4 . 1 1 13 13 ALA N N 13 119.950 119.950 124.414 -4.464 25490 38 1 4 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.664 0.414 25490 39 1 4 . 1 1 13 13 ALA C C 13 180.610 180.610 177.233 3.377 25490 40 1 4 . 1 1 13 13 ALA CA C 13 54.872 54.872 52.456 2.416 25490 41 1 4 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.634 -0.752 25490 42 1 4 . 1 1 13 13 ALA H H 13 7.893 7.893 8.342 -0.449 25490 43 1 4 . 1 1 17 17 ALA N N 17 120.700 120.700 122.241 -1.541 25490 44 1 4 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.375 -0.178 25490 45 1 4 . 1 1 17 17 ALA C C 17 178.610 178.610 176.918 1.692 25490 46 1 4 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.356 1.386 25490 47 1 4 . 1 1 17 17 ALA CB C 17 18.506 18.506 20.122 -1.616 25490 48 1 4 . 1 1 17 17 ALA H H 17 7.727 7.727 8.301 -0.574 25490 49 1 5 . 1 1 13 13 ALA N N 13 119.950 119.950 123.919 -3.969 25490 50 1 5 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.498 0.581 25490 51 1 5 . 1 1 13 13 ALA C C 13 180.610 180.610 177.263 3.347 25490 52 1 5 . 1 1 13 13 ALA CA C 13 54.872 54.872 52.548 2.324 25490 53 1 5 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.272 -0.390 25490 54 1 5 . 1 1 13 13 ALA H H 13 7.893 7.893 7.258 0.635 25490 55 1 5 . 1 1 17 17 ALA N N 17 120.700 120.700 122.254 -1.554 25490 56 1 5 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.330 -0.133 25490 57 1 5 . 1 1 17 17 ALA C C 17 178.610 178.610 176.919 1.691 25490 58 1 5 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.316 1.427 25490 59 1 5 . 1 1 17 17 ALA CB C 17 18.506 18.506 20.072 -1.566 25490 60 1 5 . 1 1 17 17 ALA H H 17 7.727 7.727 8.261 -0.534 25490 61 1 6 . 1 1 13 13 ALA N N 13 119.950 119.950 124.428 -4.478 25490 62 1 6 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.662 0.416 25490 63 1 6 . 1 1 13 13 ALA C C 13 180.610 180.610 177.221 3.389 25490 64 1 6 . 1 1 13 13 ALA CA C 13 54.872 54.872 52.411 2.461 25490 65 1 6 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.657 -0.775 25490 66 1 6 . 1 1 13 13 ALA H H 13 7.893 7.893 8.352 -0.459 25490 67 1 6 . 1 1 17 17 ALA N N 17 120.700 120.700 122.473 -1.773 25490 68 1 6 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.367 -0.170 25490 69 1 6 . 1 1 17 17 ALA C C 17 178.610 178.610 176.938 1.672 25490 70 1 6 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.360 1.382 25490 71 1 6 . 1 1 17 17 ALA CB C 17 18.506 18.506 19.757 -1.251 25490 72 1 6 . 1 1 17 17 ALA H H 17 7.727 7.727 8.318 -0.591 25490 73 1 7 . 1 1 13 13 ALA N N 13 119.950 119.950 124.415 -4.465 25490 74 1 7 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.615 0.463 25490 75 1 7 . 1 1 13 13 ALA C C 13 180.610 180.610 177.211 3.399 25490 76 1 7 . 1 1 13 13 ALA CA C 13 54.872 54.872 52.550 2.322 25490 77 1 7 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.567 -0.685 25490 78 1 7 . 1 1 13 13 ALA H H 13 7.893 7.893 8.325 -0.432 25490 79 1 7 . 1 1 17 17 ALA N N 17 120.700 120.700 122.107 -1.407 25490 80 1 7 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.393 -0.196 25490 81 1 7 . 1 1 17 17 ALA C C 17 178.610 178.610 177.049 1.561 25490 82 1 7 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.382 1.360 25490 83 1 7 . 1 1 17 17 ALA CB C 17 18.506 18.506 19.882 -1.376 25490 84 1 7 . 1 1 17 17 ALA H H 17 7.727 7.727 8.392 -0.665 25490 85 1 8 . 1 1 13 13 ALA N N 13 119.950 119.950 124.286 -4.336 25490 86 1 8 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.572 0.506 25490 87 1 8 . 1 1 13 13 ALA C C 13 180.610 180.610 177.196 3.414 25490 88 1 8 . 1 1 13 13 ALA CA C 13 54.872 54.872 52.610 2.262 25490 89 1 8 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.584 -0.702 25490 90 1 8 . 1 1 13 13 ALA H H 13 7.893 7.893 8.306 -0.413 25490 91 1 8 . 1 1 17 17 ALA N N 17 120.700 120.700 122.404 -1.704 25490 92 1 8 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.399 -0.202 25490 93 1 8 . 1 1 17 17 ALA C C 17 178.610 178.610 176.716 1.894 25490 94 1 8 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.255 1.488 25490 95 1 8 . 1 1 17 17 ALA CB C 17 18.506 18.506 19.848 -1.342 25490 96 1 8 . 1 1 17 17 ALA H H 17 7.727 7.727 8.353 -0.626 25490 97 1 9 . 1 1 13 13 ALA N N 13 119.950 119.950 123.357 -3.407 25490 98 1 9 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.451 0.627 25490 99 1 9 . 1 1 13 13 ALA C C 13 180.610 180.610 177.173 3.437 25490 100 1 9 . 1 1 13 13 ALA CA C 13 54.872 54.872 52.570 2.302 25490 101 1 9 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.266 -0.384 25490 102 1 9 . 1 1 13 13 ALA H H 13 7.893 7.893 7.390 0.503 25490 103 1 9 . 1 1 17 17 ALA N N 17 120.700 120.700 121.407 -0.707 25490 104 1 9 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.386 -0.189 25490 105 1 9 . 1 1 17 17 ALA C C 17 178.610 178.610 176.868 1.742 25490 106 1 9 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.513 1.229 25490 107 1 9 . 1 1 17 17 ALA CB C 17 18.506 18.506 20.137 -1.631 25490 108 1 9 . 1 1 17 17 ALA H H 17 7.727 7.727 8.062 -0.335 25490 109 1 10 . 1 1 13 13 ALA N N 13 119.950 119.950 125.141 -5.191 25490 110 1 10 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.364 0.714 25490 111 1 10 . 1 1 13 13 ALA C C 13 180.610 180.610 177.541 3.069 25490 112 1 10 . 1 1 13 13 ALA CA C 13 54.872 54.872 53.489 1.383 25490 113 1 10 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.423 -0.541 25490 114 1 10 . 1 1 13 13 ALA H H 13 7.893 7.893 8.554 -0.661 25490 115 1 10 . 1 1 17 17 ALA N N 17 120.700 120.700 122.015 -1.315 25490 116 1 10 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.335 -0.138 25490 117 1 10 . 1 1 17 17 ALA C C 17 178.610 178.610 177.102 1.508 25490 118 1 10 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.393 1.349 25490 119 1 10 . 1 1 17 17 ALA CB C 17 18.506 18.506 19.686 -1.180 25490 120 1 10 . 1 1 17 17 ALA H H 17 7.727 7.727 8.046 -0.319 25490 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 3.009 2.840 1.409 25490 2 1 1 "Average Difference" HA 2 0.542 -0.305 0.633 25490 3 1 1 "Average Difference" C 2 2.594 -2.459 1.172 25490 4 1 1 "Average Difference" CA 2 1.629 -1.617 0.282 25490 5 1 1 "Average Difference" CB 2 1.032 0.853 0.822 25490 6 1 1 "Average Difference" HN 2 0.629 -0.174 0.855 25490 7 1 2 "Average Difference" N 2 2.638 2.271 1.898 25490 8 1 2 "Average Difference" HA 2 0.435 -0.215 0.535 25490 9 1 2 "Average Difference" C 2 2.687 -2.525 1.302 25490 10 1 2 "Average Difference" CA 2 1.928 -1.847 0.781 25490 11 1 2 "Average Difference" CB 2 1.201 1.025 0.885 25490 12 1 2 "Average Difference" HN 2 0.582 -0.098 0.811 25490 13 1 3 "Average Difference" N 2 3.314 3.028 1.904 25490 14 1 3 "Average Difference" HA 2 0.345 -0.185 0.412 25490 15 1 3 "Average Difference" C 2 2.550 -2.316 1.510 25490 16 1 3 "Average Difference" CA 2 1.740 -1.633 0.850 25490 17 1 3 "Average Difference" CB 2 1.191 1.121 0.570 25490 18 1 3 "Average Difference" HN 2 0.476 0.469 0.116 25490 19 1 4 "Average Difference" N 2 3.339 3.003 2.067 25490 20 1 4 "Average Difference" HA 2 0.319 -0.118 0.419 25490 21 1 4 "Average Difference" C 2 2.671 -2.535 1.191 25490 22 1 4 "Average Difference" CA 2 1.970 -1.901 0.728 25490 23 1 4 "Average Difference" CB 2 1.260 1.184 0.611 25490 24 1 4 "Average Difference" HN 2 0.515 0.511 0.089 25490 25 1 5 "Average Difference" N 2 3.014 2.762 1.708 25490 26 1 5 "Average Difference" HA 2 0.421 -0.224 0.504 25490 27 1 5 "Average Difference" C 2 2.652 -2.519 1.171 25490 28 1 5 "Average Difference" CA 2 1.928 -1.875 0.634 25490 29 1 5 "Average Difference" CB 2 1.141 0.978 0.831 25490 30 1 5 "Average Difference" HN 2 0.587 -0.050 0.827 25490 31 1 6 "Average Difference" N 2 3.406 3.126 1.913 25490 32 1 6 "Average Difference" HA 2 0.318 -0.123 0.415 25490 33 1 6 "Average Difference" C 2 2.672 -2.531 1.214 25490 34 1 6 "Average Difference" CA 2 1.996 -1.921 0.763 25490 35 1 6 "Average Difference" CB 2 1.040 1.013 0.336 25490 36 1 6 "Average Difference" HN 2 0.529 0.525 0.094 25490 37 1 7 "Average Difference" N 2 3.310 2.936 2.162 25490 38 1 7 "Average Difference" HA 2 0.356 -0.134 0.466 25490 39 1 7 "Average Difference" C 2 2.645 -2.480 1.300 25490 40 1 7 "Average Difference" CA 2 1.903 -1.841 0.680 25490 41 1 7 "Average Difference" CB 2 1.087 1.030 0.489 25490 42 1 7 "Average Difference" HN 2 0.561 0.548 0.165 25490 43 1 8 "Average Difference" N 2 3.294 3.020 1.861 25490 44 1 8 "Average Difference" HA 2 0.385 -0.152 0.501 25490 45 1 8 "Average Difference" C 2 2.761 -2.654 1.075 25490 46 1 8 "Average Difference" CA 2 1.914 -1.875 0.548 25490 47 1 8 "Average Difference" CB 2 1.071 1.022 0.452 25490 48 1 8 "Average Difference" HN 2 0.530 0.520 0.151 25490 49 1 9 "Average Difference" N 2 2.460 2.057 1.909 25490 50 1 9 "Average Difference" HA 2 0.463 -0.219 0.577 25490 51 1 9 "Average Difference" C 2 2.725 -2.590 1.199 25490 52 1 9 "Average Difference" CA 2 1.845 -1.766 0.759 25490 53 1 9 "Average Difference" CB 2 1.185 1.007 0.882 25490 54 1 9 "Average Difference" HN 2 0.427 -0.084 0.593 25490 55 1 10 "Average Difference" N 2 3.787 3.253 2.741 25490 56 1 10 "Average Difference" HA 2 0.514 -0.288 0.602 25490 57 1 10 "Average Difference" C 2 2.418 -2.288 1.104 25490 58 1 10 "Average Difference" CA 2 1.366 -1.366 0.024 25490 59 1 10 "Average Difference" CB 2 0.918 0.861 0.452 25490 60 1 10 "Average Difference" HN 2 0.519 0.490 0.242 25490 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 25490 _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 13 13 ALA N N 13 119.950 119.950 124.163 -4.213 25490 2 1 . 1 1 13 13 ALA HA H 13 4.078 4.078 3.524 0.554 25490 3 1 . 1 1 13 13 ALA C C 13 180.610 180.610 177.255 3.355 25490 4 1 . 1 1 13 13 ALA CA C 13 54.872 54.872 52.680 2.192 25490 5 1 . 1 1 13 13 ALA CB C 13 17.882 17.882 18.444 -0.562 25490 6 1 . 1 1 13 13 ALA H H 13 7.893 7.893 7.914 -0.021 25490 7 1 . 1 1 17 17 ALA N N 17 120.700 120.700 122.145 -1.446 25490 8 1 . 1 1 17 17 ALA HA H 17 4.197 4.197 4.359 -0.162 25490 9 1 . 1 1 17 17 ALA C C 17 178.610 178.610 176.986 1.624 25490 10 1 . 1 1 17 17 ALA CA C 17 53.742 53.742 52.406 1.337 25490 11 1 . 1 1 17 17 ALA CB C 17 18.506 18.506 19.963 -1.457 25490 12 1 . 1 1 17 17 ALA H H 17 7.727 7.727 8.237 -0.510 25490 stop_ save_