data_19130 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19130 _Entry.PDB_ID 2M6E 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 19130 _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 2 2 CYS HA H 2 4.769 4.769 4.839 -0.070 19130 2 1 1 . 1 1 2 2 CYS H H 2 8.438 8.438 8.426 0.012 19130 3 1 1 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.406 -0.239 19130 4 1 1 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.532 -1.092 19130 5 1 1 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.189 0.270 19130 6 1 1 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.603 -0.055 19130 7 1 1 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130 8 1 2 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.837 -0.068 19130 9 1 2 . 1 1 2 2 CYS H H 2 8.438 8.438 8.518 -0.080 19130 10 1 2 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.407 -0.240 19130 11 1 2 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.534 -1.094 19130 12 1 2 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.189 0.270 19130 13 1 2 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.603 -0.055 19130 14 1 2 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130 15 1 3 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.839 -0.070 19130 16 1 3 . 1 1 2 2 CYS H H 2 8.438 8.438 8.517 -0.079 19130 17 1 3 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.406 -0.239 19130 18 1 3 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.535 -1.095 19130 19 1 3 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.189 0.270 19130 20 1 3 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.602 -0.054 19130 21 1 3 . 1 1 7 7 TRP H H 7 8.425 8.425 7.610 0.815 19130 22 1 4 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.834 -0.065 19130 23 1 4 . 1 1 2 2 CYS H H 2 8.438 8.438 8.525 -0.087 19130 24 1 4 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.407 -0.240 19130 25 1 4 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.536 -1.096 19130 26 1 4 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.191 0.268 19130 27 1 4 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.602 -0.054 19130 28 1 4 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130 29 1 5 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.836 -0.067 19130 30 1 5 . 1 1 2 2 CYS H H 2 8.438 8.438 8.535 -0.097 19130 31 1 5 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.406 -0.239 19130 32 1 5 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.535 -1.095 19130 33 1 5 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.189 0.269 19130 34 1 5 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.603 -0.055 19130 35 1 5 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130 36 1 6 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.842 -0.073 19130 37 1 6 . 1 1 2 2 CYS H H 2 8.438 8.438 8.453 -0.015 19130 38 1 6 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.402 -0.235 19130 39 1 6 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.536 -1.096 19130 40 1 6 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.190 0.269 19130 41 1 6 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.602 -0.054 19130 42 1 6 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130 43 1 7 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.845 -0.076 19130 44 1 7 . 1 1 2 2 CYS H H 2 8.438 8.438 8.544 -0.106 19130 45 1 7 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.403 -0.236 19130 46 1 7 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.536 -1.096 19130 47 1 7 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.190 0.269 19130 48 1 7 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.602 -0.054 19130 49 1 7 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130 50 1 8 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.853 -0.084 19130 51 1 8 . 1 1 2 2 CYS H H 2 8.438 8.438 8.439 -0.001 19130 52 1 8 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.639 -0.472 19130 53 1 8 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.937 -1.497 19130 54 1 8 . 1 1 6 6 PRO CB C 6 31.459 31.459 32.105 -0.646 19130 55 1 8 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.557 -0.009 19130 56 1 8 . 1 1 7 7 TRP H H 7 8.425 8.425 8.325 0.100 19130 57 1 9 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.847 -0.078 19130 58 1 9 . 1 1 2 2 CYS H H 2 8.438 8.438 8.434 0.004 19130 59 1 9 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.640 -0.473 19130 60 1 9 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.936 -1.496 19130 61 1 9 . 1 1 6 6 PRO CB C 6 31.459 31.459 32.105 -0.646 19130 62 1 9 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.557 -0.009 19130 63 1 9 . 1 1 7 7 TRP H H 7 8.425 8.425 8.326 0.099 19130 64 1 10 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.850 -0.081 19130 65 1 10 . 1 1 2 2 CYS H H 2 8.438 8.438 8.408 0.030 19130 66 1 10 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.639 -0.472 19130 67 1 10 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.936 -1.496 19130 68 1 10 . 1 1 6 6 PRO CB C 6 31.459 31.459 32.106 -0.647 19130 69 1 10 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.557 -0.009 19130 70 1 10 . 1 1 7 7 TRP H H 7 8.425 8.425 8.326 0.099 19130 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 19130 2 1 1 "Average Difference" HA 3 0.147 0.121 0.102 19130 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19130 4 1 1 "Average Difference" CA 1 1.092 1.092 0.000 19130 5 1 1 "Average Difference" CB 1 0.270 -0.270 0.000 19130 6 1 1 "Average Difference" HN 2 0.576 -0.413 0.567 19130 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19130 8 1 2 "Average Difference" HA 3 0.147 0.121 0.103 19130 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19130 10 1 2 "Average Difference" CA 1 1.094 1.094 0.000 19130 11 1 2 "Average Difference" CB 1 0.270 -0.270 0.000 19130 12 1 2 "Average Difference" HN 2 0.578 -0.367 0.632 19130 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19130 14 1 3 "Average Difference" HA 3 0.147 0.121 0.102 19130 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19130 16 1 3 "Average Difference" CA 1 1.095 1.095 0.000 19130 17 1 3 "Average Difference" CB 1 0.270 -0.270 0.000 19130 18 1 3 "Average Difference" HN 2 0.579 -0.368 0.632 19130 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19130 20 1 4 "Average Difference" HA 3 0.147 0.120 0.104 19130 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19130 22 1 4 "Average Difference" CA 1 1.096 1.096 0.000 19130 23 1 4 "Average Difference" CB 1 0.268 -0.268 0.000 19130 24 1 4 "Average Difference" HN 2 0.579 -0.364 0.637 19130 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19130 26 1 5 "Average Difference" HA 3 0.147 0.120 0.103 19130 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19130 28 1 5 "Average Difference" CA 1 1.095 1.095 0.000 19130 29 1 5 "Average Difference" CB 1 0.269 -0.269 0.000 19130 30 1 5 "Average Difference" HN 2 0.580 -0.359 0.644 19130 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19130 32 1 6 "Average Difference" HA 3 0.145 0.121 0.099 19130 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19130 34 1 6 "Average Difference" CA 1 1.096 1.096 0.000 19130 35 1 6 "Average Difference" CB 1 0.269 -0.269 0.000 19130 36 1 6 "Average Difference" HN 2 0.576 -0.400 0.586 19130 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19130 38 1 7 "Average Difference" HA 3 0.146 0.122 0.099 19130 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19130 40 1 7 "Average Difference" CA 1 1.096 1.096 0.000 19130 41 1 7 "Average Difference" CB 1 0.269 -0.269 0.000 19130 42 1 7 "Average Difference" HN 2 0.580 -0.354 0.650 19130 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19130 44 1 8 "Average Difference" HA 3 0.277 0.188 0.249 19130 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19130 46 1 8 "Average Difference" CA 1 1.497 1.497 0.000 19130 47 1 8 "Average Difference" CB 1 0.646 0.646 0.000 19130 48 1 8 "Average Difference" HN 2 0.070 -0.049 0.071 19130 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19130 50 1 9 "Average Difference" HA 3 0.277 0.187 0.250 19130 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19130 52 1 9 "Average Difference" CA 1 1.496 1.496 0.000 19130 53 1 9 "Average Difference" CB 1 0.646 0.646 0.000 19130 54 1 9 "Average Difference" HN 2 0.070 -0.052 0.067 19130 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19130 56 1 10 "Average Difference" HA 3 0.276 0.187 0.249 19130 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19130 58 1 10 "Average Difference" CA 1 1.496 1.496 0.000 19130 59 1 10 "Average Difference" CB 1 0.647 0.647 0.000 19130 60 1 10 "Average Difference" HN 2 0.073 -0.064 0.049 19130 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 19130 _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 2 2 CYS HA H 2 4.769 4.769 4.842 -0.073 19130 2 1 . 1 1 2 2 CYS H H 2 8.438 8.438 8.480 -0.042 19130 3 1 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.476 -0.308 19130 4 1 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.655 -1.215 19130 5 1 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.464 -0.005 19130 6 1 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.589 -0.041 19130 7 1 . 1 1 7 7 TRP H H 7 8.425 8.425 7.825 0.600 19130 stop_ save_