data_25741 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25741 _Entry.PDB_ID 2N5Y 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 25741 _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 10 10 GLU HA H 10 4.540 4.540 4.587 -0.047 25741 2 1 1 . 1 1 10 10 GLU H H 10 8.393 8.393 8.440 -0.047 25741 3 1 2 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.570 0.970 25741 4 1 2 . 1 1 10 10 GLU H H 10 8.393 8.393 7.633 0.760 25741 5 1 3 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.417 0.123 25741 6 1 3 . 1 1 10 10 GLU H H 10 8.393 8.393 7.645 0.748 25741 7 1 4 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.272 0.268 25741 8 1 4 . 1 1 10 10 GLU H H 10 8.393 8.393 7.687 0.706 25741 9 1 5 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.266 0.274 25741 10 1 5 . 1 1 10 10 GLU H H 10 8.393 8.393 7.916 0.477 25741 11 1 6 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.531 1.009 25741 12 1 6 . 1 1 10 10 GLU H H 10 8.393 8.393 7.591 0.802 25741 13 1 7 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.532 0.008 25741 14 1 7 . 1 1 10 10 GLU H H 10 8.393 8.393 8.454 -0.061 25741 15 1 8 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.497 1.043 25741 16 1 8 . 1 1 10 10 GLU H H 10 8.393 8.393 7.800 0.593 25741 17 1 9 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.561 -0.021 25741 18 1 9 . 1 1 10 10 GLU H H 10 8.393 8.393 8.871 -0.478 25741 19 1 10 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.516 0.024 25741 20 1 10 . 1 1 10 10 GLU H H 10 8.393 8.393 9.095 -0.702 25741 21 1 11 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.041 0.499 25741 22 1 11 . 1 1 10 10 GLU H H 10 8.393 8.393 8.485 -0.092 25741 23 1 12 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.252 0.288 25741 24 1 12 . 1 1 10 10 GLU H H 10 8.393 8.393 8.345 0.048 25741 25 1 13 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.270 0.270 25741 26 1 13 . 1 1 10 10 GLU H H 10 8.393 8.393 8.550 -0.157 25741 27 1 14 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.821 0.719 25741 28 1 14 . 1 1 10 10 GLU H H 10 8.393 8.393 7.469 0.924 25741 29 1 15 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.670 0.870 25741 30 1 15 . 1 1 10 10 GLU H H 10 8.393 8.393 7.589 0.804 25741 31 1 16 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.840 -0.300 25741 32 1 16 . 1 1 10 10 GLU H H 10 8.393 8.393 8.743 -0.350 25741 33 1 17 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.046 0.494 25741 34 1 17 . 1 1 10 10 GLU H H 10 8.393 8.393 7.490 0.903 25741 35 1 18 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.390 0.150 25741 36 1 18 . 1 1 10 10 GLU H H 10 8.393 8.393 7.662 0.731 25741 37 1 19 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.836 0.704 25741 38 1 19 . 1 1 10 10 GLU H H 10 8.393 8.393 8.514 -0.121 25741 39 1 20 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.146 0.394 25741 40 1 20 . 1 1 10 10 GLU H H 10 8.393 8.393 8.547 -0.154 25741 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 25741 2 1 1 "Average Difference" HA 1 0.047 0.047 0.000 25741 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25741 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25741 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25741 6 1 1 "Average Difference" HN 1 0.047 0.047 0.000 25741 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25741 8 1 2 "Average Difference" HA 1 0.970 -0.970 0.000 25741 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25741 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25741 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25741 12 1 2 "Average Difference" HN 1 0.760 -0.760 0.000 25741 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25741 14 1 3 "Average Difference" HA 1 0.123 -0.123 0.000 25741 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25741 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25741 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25741 18 1 3 "Average Difference" HN 1 0.748 -0.748 0.000 25741 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25741 20 1 4 "Average Difference" HA 1 0.268 -0.268 0.000 25741 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25741 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25741 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25741 24 1 4 "Average Difference" HN 1 0.706 -0.706 0.000 25741 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25741 26 1 5 "Average Difference" HA 1 0.274 -0.274 0.000 25741 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25741 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25741 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25741 30 1 5 "Average Difference" HN 1 0.477 -0.477 0.000 25741 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25741 32 1 6 "Average Difference" HA 1 1.009 -1.009 0.000 25741 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25741 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25741 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25741 36 1 6 "Average Difference" HN 1 0.802 -0.802 0.000 25741 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25741 38 1 7 "Average Difference" HA 1 0.008 -0.008 0.000 25741 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25741 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25741 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25741 42 1 7 "Average Difference" HN 1 0.061 0.061 0.000 25741 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25741 44 1 8 "Average Difference" HA 1 1.043 -1.043 0.000 25741 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25741 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25741 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25741 48 1 8 "Average Difference" HN 1 0.593 -0.593 0.000 25741 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25741 50 1 9 "Average Difference" HA 1 0.021 0.021 0.000 25741 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25741 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25741 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25741 54 1 9 "Average Difference" HN 1 0.478 0.478 0.000 25741 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25741 56 1 10 "Average Difference" HA 1 0.024 -0.024 0.000 25741 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25741 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25741 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25741 60 1 10 "Average Difference" HN 1 0.702 0.702 0.000 25741 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25741 62 1 11 "Average Difference" HA 1 0.499 -0.499 0.000 25741 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25741 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25741 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25741 66 1 11 "Average Difference" HN 1 0.092 0.092 0.000 25741 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25741 68 1 12 "Average Difference" HA 1 0.288 -0.288 0.000 25741 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25741 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25741 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25741 72 1 12 "Average Difference" HN 1 0.048 -0.048 0.000 25741 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25741 74 1 13 "Average Difference" HA 1 0.270 -0.270 0.000 25741 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25741 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25741 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25741 78 1 13 "Average Difference" HN 1 0.157 0.157 0.000 25741 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25741 80 1 14 "Average Difference" HA 1 0.719 -0.719 0.000 25741 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25741 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25741 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25741 84 1 14 "Average Difference" HN 1 0.924 -0.924 0.000 25741 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25741 86 1 15 "Average Difference" HA 1 0.870 -0.870 0.000 25741 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25741 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25741 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25741 90 1 15 "Average Difference" HN 1 0.804 -0.804 0.000 25741 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25741 92 1 16 "Average Difference" HA 1 0.300 0.300 0.000 25741 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25741 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25741 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25741 96 1 16 "Average Difference" HN 1 0.350 0.350 0.000 25741 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25741 98 1 17 "Average Difference" HA 1 0.494 -0.494 0.000 25741 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25741 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25741 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25741 102 1 17 "Average Difference" HN 1 0.903 -0.903 0.000 25741 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25741 104 1 18 "Average Difference" HA 1 0.150 -0.150 0.000 25741 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25741 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25741 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25741 108 1 18 "Average Difference" HN 1 0.731 -0.731 0.000 25741 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25741 110 1 19 "Average Difference" HA 1 0.704 -0.704 0.000 25741 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25741 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25741 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25741 114 1 19 "Average Difference" HN 1 0.121 0.121 0.000 25741 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25741 116 1 20 "Average Difference" HA 1 0.394 -0.394 0.000 25741 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25741 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25741 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25741 120 1 20 "Average Difference" HN 1 0.154 0.154 0.000 25741 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 25741 _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 10 10 GLU HA H 10 4.540 4.540 4.153 0.387 25741 2 1 . 1 1 10 10 GLU H H 10 8.393 8.393 8.126 0.267 25741 stop_ save_