data_25234 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25234 _Entry.PDB_ID 2MUW 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 25234 _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 27 27 VAL CA C 27 65.600 65.600 66.220 -0.620 25234 2 1 1 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.103 0.997 25234 3 1 1 . 1 1 31 31 SER CA C 31 63.800 63.800 62.694 1.106 25234 4 1 2 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.289 -0.689 25234 5 1 2 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.117 0.983 25234 6 1 2 . 1 1 31 31 SER CA C 31 63.800 63.800 62.663 1.137 25234 7 1 3 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.661 -1.061 25234 8 1 3 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.819 1.281 25234 9 1 3 . 1 1 31 31 SER CA C 31 63.800 63.800 61.790 2.010 25234 10 1 4 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.475 -0.875 25234 11 1 4 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.182 0.918 25234 12 1 4 . 1 1 31 31 SER CA C 31 63.800 63.800 61.282 2.518 25234 13 1 5 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.301 -0.701 25234 14 1 5 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.932 1.168 25234 15 1 5 . 1 1 31 31 SER CA C 31 63.800 63.800 61.731 2.069 25234 16 1 6 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.253 -0.653 25234 17 1 6 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.835 1.264 25234 18 1 6 . 1 1 31 31 SER CA C 31 63.800 63.800 61.676 2.124 25234 19 1 7 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.992 -1.392 25234 20 1 7 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.143 0.957 25234 21 1 7 . 1 1 31 31 SER CA C 31 63.800 63.800 61.518 2.282 25234 22 1 8 . 1 1 27 27 VAL CA C 27 65.600 65.600 65.830 -0.230 25234 23 1 8 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.102 0.998 25234 24 1 8 . 1 1 31 31 SER CA C 31 63.800 63.800 61.647 2.153 25234 25 1 9 . 1 1 27 27 VAL CA C 27 65.600 65.600 65.484 0.117 25234 26 1 9 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.997 1.103 25234 27 1 9 . 1 1 31 31 SER CA C 31 63.800 63.800 62.376 1.424 25234 28 1 10 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.266 -0.666 25234 29 1 10 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.088 1.012 25234 30 1 10 . 1 1 31 31 SER CA C 31 63.800 63.800 62.023 1.777 25234 31 1 11 . 1 1 27 27 VAL CA C 27 65.600 65.600 65.730 -0.130 25234 32 1 11 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.027 1.073 25234 33 1 11 . 1 1 31 31 SER CA C 31 63.800 63.800 62.306 1.494 25234 34 1 12 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.095 -0.495 25234 35 1 12 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.041 1.059 25234 36 1 12 . 1 1 31 31 SER CA C 31 63.800 63.800 62.123 1.677 25234 37 1 13 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.036 -0.436 25234 38 1 13 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.131 0.969 25234 39 1 13 . 1 1 31 31 SER CA C 31 63.800 63.800 61.679 2.121 25234 40 1 14 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.654 -1.054 25234 41 1 14 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.022 1.078 25234 42 1 14 . 1 1 31 31 SER CA C 31 63.800 63.800 62.560 1.240 25234 43 1 15 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.322 -0.722 25234 44 1 15 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.899 1.201 25234 45 1 15 . 1 1 31 31 SER CA C 31 63.800 63.800 61.843 1.957 25234 46 1 16 . 1 1 27 27 VAL CA C 27 65.600 65.600 65.712 -0.112 25234 47 1 16 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.944 1.156 25234 48 1 16 . 1 1 31 31 SER CA C 31 63.800 63.800 61.902 1.898 25234 49 1 17 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.081 -0.481 25234 50 1 17 . 1 1 30 30 ALA CB C 30 19.100 19.100 17.882 1.218 25234 51 1 17 . 1 1 31 31 SER CA C 31 63.800 63.800 61.315 2.485 25234 52 1 18 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.600 -1.000 25234 53 1 18 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.221 0.879 25234 54 1 18 . 1 1 31 31 SER CA C 31 63.800 63.800 61.199 2.601 25234 55 1 19 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.426 -0.826 25234 56 1 19 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.105 0.995 25234 57 1 19 . 1 1 31 31 SER CA C 31 63.800 63.800 62.618 1.182 25234 58 1 20 . 1 1 27 27 VAL CA C 27 65.600 65.600 66.176 -0.576 25234 59 1 20 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.428 0.672 25234 60 1 20 . 1 1 31 31 SER CA C 31 63.800 63.800 61.173 2.627 25234 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 25234 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25234 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25234 4 1 1 "Average Difference" CA 2 0.897 -0.243 1.221 25234 5 1 1 "Average Difference" CB 1 0.997 -0.997 0.000 25234 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25234 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25234 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25234 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25234 10 1 2 "Average Difference" CA 2 0.940 -0.224 1.292 25234 11 1 2 "Average Difference" CB 1 0.983 -0.983 0.000 25234 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25234 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25234 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25234 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25234 16 1 3 "Average Difference" CA 2 1.607 -0.475 2.171 25234 17 1 3 "Average Difference" CB 1 1.281 -1.281 0.000 25234 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25234 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25234 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25234 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25234 22 1 4 "Average Difference" CA 2 1.885 -0.821 2.399 25234 23 1 4 "Average Difference" CB 1 0.918 -0.918 0.000 25234 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25234 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25234 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25234 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25234 28 1 5 "Average Difference" CA 2 1.545 -0.684 1.959 25234 29 1 5 "Average Difference" CB 1 1.168 -1.168 0.000 25234 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25234 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25234 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25234 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25234 34 1 6 "Average Difference" CA 2 1.571 -0.735 1.963 25234 35 1 6 "Average Difference" CB 1 1.264 -1.264 0.000 25234 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25234 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25234 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25234 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25234 40 1 7 "Average Difference" CA 2 1.890 -0.445 2.598 25234 41 1 7 "Average Difference" CB 1 0.957 -0.957 0.000 25234 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25234 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25234 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25234 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25234 46 1 8 "Average Difference" CA 2 1.531 -0.961 1.685 25234 47 1 8 "Average Difference" CB 1 0.998 -0.998 0.000 25234 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25234 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25234 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25234 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25234 52 1 9 "Average Difference" CA 2 1.010 -0.770 0.924 25234 53 1 9 "Average Difference" CB 1 1.103 -1.103 0.000 25234 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25234 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25234 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25234 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25234 58 1 10 "Average Difference" CA 2 1.342 -0.556 1.728 25234 59 1 10 "Average Difference" CB 1 1.012 -1.012 0.000 25234 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 25234 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25234 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25234 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25234 64 1 11 "Average Difference" CA 2 1.060 -0.682 1.148 25234 65 1 11 "Average Difference" CB 1 1.073 -1.073 0.000 25234 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 25234 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25234 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 25234 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25234 70 1 12 "Average Difference" CA 2 1.237 -0.591 1.536 25234 71 1 12 "Average Difference" CB 1 1.059 -1.059 0.000 25234 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 25234 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25234 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 25234 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25234 76 1 13 "Average Difference" CA 2 1.531 -0.843 1.808 25234 77 1 13 "Average Difference" CB 1 0.969 -0.969 0.000 25234 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 25234 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25234 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 25234 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25234 82 1 14 "Average Difference" CA 2 1.151 -0.093 1.622 25234 83 1 14 "Average Difference" CB 1 1.078 -1.078 0.000 25234 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 25234 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25234 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 25234 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25234 88 1 15 "Average Difference" CA 2 1.475 -0.618 1.894 25234 89 1 15 "Average Difference" CB 1 1.201 -1.201 0.000 25234 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 25234 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25234 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 25234 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25234 94 1 16 "Average Difference" CA 2 1.345 -0.893 1.421 25234 95 1 16 "Average Difference" CB 1 1.156 -1.156 0.000 25234 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 25234 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25234 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 25234 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25234 100 1 17 "Average Difference" CA 2 1.790 -1.002 2.097 25234 101 1 17 "Average Difference" CB 1 1.218 -1.218 0.000 25234 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 25234 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25234 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 25234 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25234 106 1 18 "Average Difference" CA 2 1.970 -0.801 2.546 25234 107 1 18 "Average Difference" CB 1 0.879 -0.879 0.000 25234 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 25234 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25234 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 25234 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25234 112 1 19 "Average Difference" CA 2 1.020 -0.178 1.420 25234 113 1 19 "Average Difference" CB 1 0.995 -0.995 0.000 25234 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 25234 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25234 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 25234 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25234 118 1 20 "Average Difference" CA 2 1.902 -1.025 2.265 25234 119 1 20 "Average Difference" CB 1 0.672 -0.672 0.000 25234 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 25234 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 25234 _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 27 27 VAL CA C 27 65.600 65.600 66.230 -0.630 25234 2 1 . 1 1 30 30 ALA CB C 30 19.100 19.100 18.051 1.049 25234 3 1 . 1 1 31 31 SER CA C 31 63.800 63.800 61.906 1.894 25234 stop_ save_