data_25737 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25737 _Entry.PDB_ID 2N5W 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 25737 _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 4.545 4.545 4.469 0.076 25737 2 1 1 . 1 1 10 10 GLU H H 10 8.426 8.426 8.806 -0.380 25737 3 1 2 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.482 0.063 25737 4 1 2 . 1 1 10 10 GLU H H 10 8.426 8.426 8.765 -0.339 25737 5 1 3 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.415 0.130 25737 6 1 3 . 1 1 10 10 GLU H H 10 8.426 8.426 8.996 -0.570 25737 7 1 4 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.479 0.066 25737 8 1 4 . 1 1 10 10 GLU H H 10 8.426 8.426 8.794 -0.368 25737 9 1 5 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.452 0.093 25737 10 1 5 . 1 1 10 10 GLU H H 10 8.426 8.426 8.753 -0.327 25737 11 1 6 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.566 -0.021 25737 12 1 6 . 1 1 10 10 GLU H H 10 8.426 8.426 8.656 -0.230 25737 13 1 7 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.465 0.080 25737 14 1 7 . 1 1 10 10 GLU H H 10 8.426 8.426 8.729 -0.303 25737 15 1 8 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.575 -0.030 25737 16 1 8 . 1 1 10 10 GLU H H 10 8.426 8.426 8.955 -0.529 25737 17 1 9 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.586 -0.041 25737 18 1 9 . 1 1 10 10 GLU H H 10 8.426 8.426 8.579 -0.153 25737 19 1 10 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.602 -0.057 25737 20 1 10 . 1 1 10 10 GLU H H 10 8.426 8.426 8.689 -0.263 25737 21 1 11 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.529 0.016 25737 22 1 11 . 1 1 10 10 GLU H H 10 8.426 8.426 8.787 -0.361 25737 23 1 12 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.478 0.067 25737 24 1 12 . 1 1 10 10 GLU H H 10 8.426 8.426 8.843 -0.417 25737 25 1 13 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.460 0.085 25737 26 1 13 . 1 1 10 10 GLU H H 10 8.426 8.426 8.551 -0.125 25737 27 1 14 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.473 0.072 25737 28 1 14 . 1 1 10 10 GLU H H 10 8.426 8.426 8.851 -0.425 25737 29 1 15 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.430 0.115 25737 30 1 15 . 1 1 10 10 GLU H H 10 8.426 8.426 8.936 -0.510 25737 31 1 16 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.415 0.130 25737 32 1 16 . 1 1 10 10 GLU H H 10 8.426 8.426 8.772 -0.346 25737 33 1 17 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.594 -0.049 25737 34 1 17 . 1 1 10 10 GLU H H 10 8.426 8.426 8.704 -0.278 25737 35 1 18 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.537 0.008 25737 36 1 18 . 1 1 10 10 GLU H H 10 8.426 8.426 8.758 -0.332 25737 37 1 19 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.472 0.073 25737 38 1 19 . 1 1 10 10 GLU H H 10 8.426 8.426 8.849 -0.423 25737 39 1 20 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.454 0.091 25737 40 1 20 . 1 1 10 10 GLU H H 10 8.426 8.426 8.454 -0.028 25737 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 25737 2 1 1 "Average Difference" HA 1 0.076 -0.076 0.000 25737 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25737 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25737 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25737 6 1 1 "Average Difference" HN 1 0.380 0.380 0.000 25737 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25737 8 1 2 "Average Difference" HA 1 0.063 -0.063 0.000 25737 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25737 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25737 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25737 12 1 2 "Average Difference" HN 1 0.339 0.339 0.000 25737 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25737 14 1 3 "Average Difference" HA 1 0.130 -0.130 0.000 25737 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25737 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25737 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25737 18 1 3 "Average Difference" HN 1 0.570 0.570 0.000 25737 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25737 20 1 4 "Average Difference" HA 1 0.066 -0.066 0.000 25737 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25737 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25737 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25737 24 1 4 "Average Difference" HN 1 0.368 0.368 0.000 25737 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25737 26 1 5 "Average Difference" HA 1 0.093 -0.093 0.000 25737 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25737 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25737 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25737 30 1 5 "Average Difference" HN 1 0.327 0.327 0.000 25737 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25737 32 1 6 "Average Difference" HA 1 0.021 0.021 0.000 25737 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25737 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25737 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25737 36 1 6 "Average Difference" HN 1 0.230 0.230 0.000 25737 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25737 38 1 7 "Average Difference" HA 1 0.080 -0.080 0.000 25737 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25737 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25737 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25737 42 1 7 "Average Difference" HN 1 0.303 0.303 0.000 25737 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25737 44 1 8 "Average Difference" HA 1 0.030 0.030 0.000 25737 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25737 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25737 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25737 48 1 8 "Average Difference" HN 1 0.529 0.529 0.000 25737 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25737 50 1 9 "Average Difference" HA 1 0.041 0.041 0.000 25737 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25737 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25737 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25737 54 1 9 "Average Difference" HN 1 0.153 0.153 0.000 25737 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25737 56 1 10 "Average Difference" HA 1 0.057 0.057 0.000 25737 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25737 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25737 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25737 60 1 10 "Average Difference" HN 1 0.263 0.263 0.000 25737 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25737 62 1 11 "Average Difference" HA 1 0.016 -0.016 0.000 25737 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25737 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25737 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25737 66 1 11 "Average Difference" HN 1 0.361 0.361 0.000 25737 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25737 68 1 12 "Average Difference" HA 1 0.067 -0.067 0.000 25737 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25737 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25737 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25737 72 1 12 "Average Difference" HN 1 0.417 0.417 0.000 25737 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25737 74 1 13 "Average Difference" HA 1 0.085 -0.085 0.000 25737 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25737 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25737 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25737 78 1 13 "Average Difference" HN 1 0.125 0.125 0.000 25737 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25737 80 1 14 "Average Difference" HA 1 0.072 -0.072 0.000 25737 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25737 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25737 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25737 84 1 14 "Average Difference" HN 1 0.425 0.425 0.000 25737 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25737 86 1 15 "Average Difference" HA 1 0.115 -0.115 0.000 25737 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25737 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25737 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25737 90 1 15 "Average Difference" HN 1 0.510 0.510 0.000 25737 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25737 92 1 16 "Average Difference" HA 1 0.130 -0.130 0.000 25737 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25737 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25737 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25737 96 1 16 "Average Difference" HN 1 0.346 0.346 0.000 25737 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25737 98 1 17 "Average Difference" HA 1 0.049 0.049 0.000 25737 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25737 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25737 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25737 102 1 17 "Average Difference" HN 1 0.278 0.278 0.000 25737 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25737 104 1 18 "Average Difference" HA 1 0.008 -0.008 0.000 25737 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25737 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25737 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25737 108 1 18 "Average Difference" HN 1 0.332 0.332 0.000 25737 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25737 110 1 19 "Average Difference" HA 1 0.073 -0.073 0.000 25737 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25737 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25737 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25737 114 1 19 "Average Difference" HN 1 0.423 0.423 0.000 25737 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25737 116 1 20 "Average Difference" HA 1 0.091 -0.091 0.000 25737 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25737 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25737 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25737 120 1 20 "Average Difference" HN 1 0.028 0.028 0.000 25737 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 25737 _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 4.545 4.545 4.497 0.048 25737 2 1 . 1 1 10 10 GLU H H 10 8.426 8.426 8.761 -0.335 25737 stop_ save_