Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52508
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name PpcAK19AG25PW45M_heme_shifts_80mM_phosphate_250mM_ionic_strength_pH7
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
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_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H TOCSY' . . . 52508 1
2 '2D 1H-1H NOESY' . . . 52508 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52508 1
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_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 1 1 HEM HAB H 1 6.166 0.001 . . . . . . . 30 HEM HAB . 52508 1
2 . 2 . 2 1 1 HEM HAC H 1 6.267 0.001 . . . . . . . 30 HEM HAC . 52508 1
3 . 2 . 2 1 1 HEM HBB H 1 2.166 0.001 . . . . . . . 30 HEM HBB . 52508 1
4 . 2 . 2 1 1 HEM HBBA H 1 2.166 0.001 . . . . . . . 30 HEM HBBA . 52508 1
5 . 2 . 2 1 1 HEM HBC H 1 1.860 0.001 . . . . . . . 30 HEM HBC . 52508 1
6 . 2 . 2 1 1 HEM HBCA H 1 1.860 0.001 . . . . . . . 30 HEM HBCA . 52508 1
7 . 2 . 2 1 1 HEM HHA H 1 9.343 0.001 . . . . . . . 30 HEM HHA . 52508 1
8 . 2 . 2 1 1 HEM HHB H 1 9.529 0.001 . . . . . . . 30 HEM HHB . 52508 1
9 . 2 . 2 1 1 HEM HHC H 1 9.595 0.001 . . . . . . . 30 HEM HHC . 52508 1
10 . 2 . 2 1 1 HEM HHD H 1 9.133 0.002 . . . . . . . 30 HEM HHD . 52508 1
11 . 2 . 2 1 1 HEM HMA H 1 3.367 0.001 . . . . . . . 30 HEM HMA . 52508 1
12 . 2 . 2 1 1 HEM HMAA H 1 3.367 0.001 . . . . . . . 30 HEM HMAA . 52508 1
13 . 2 . 2 1 1 HEM HMAB H 1 3.367 0.001 . . . . . . . 30 HEM HMAB . 52508 1
14 . 2 . 2 1 1 HEM HMB H 1 3.546 0.001 . . . . . . . 30 HEM HMB . 52508 1
15 . 2 . 2 1 1 HEM HMBA H 1 3.546 0.001 . . . . . . . 30 HEM HMBA . 52508 1
16 . 2 . 2 1 1 HEM HMBB H 1 3.546 0.001 . . . . . . . 30 HEM HMBB . 52508 1
17 . 2 . 2 1 1 HEM HMC H 1 3.563 0.003 . . . . . . . 30 HEM HMC . 52508 1
18 . 2 . 2 1 1 HEM HMCA H 1 3.563 0.003 . . . . . . . 30 HEM HMCA . 52508 1
19 . 2 . 2 1 1 HEM HMCB H 1 3.563 0.003 . . . . . . . 30 HEM HMCB . 52508 1
20 . 2 . 2 1 1 HEM HMD H 1 2.683 0.000 . . . . . . . 30 HEM HMD . 52508 1
21 . 2 . 2 1 1 HEM HMDA H 1 2.683 0.000 . . . . . . . 30 HEM HMDA . 52508 1
22 . 2 . 2 1 1 HEM HMDB H 1 2.683 0.000 . . . . . . . 30 HEM HMDB . 52508 1
23 . 3 . 2 1 1 HEM HAB H 1 6.534 0.002 . . . . . . . 53 HEM HAB . 52508 1
24 . 3 . 2 1 1 HEM HAC H 1 6.584 0.001 . . . . . . . 53 HEM HAC . 52508 1
25 . 3 . 2 1 1 HEM HBB H 1 2.165 0.002 . . . . . . . 53 HEM HBB . 52508 1
26 . 3 . 2 1 1 HEM HBBA H 1 2.165 0.002 . . . . . . . 53 HEM HBBA . 52508 1
27 . 3 . 2 1 1 HEM HBC H 1 2.953 0.003 . . . . . . . 53 HEM HBC . 52508 1
28 . 3 . 2 1 1 HEM HBCA H 1 2.953 0.003 . . . . . . . 53 HEM HBCA . 52508 1
29 . 3 . 2 1 1 HEM HHA H 1 9.515 0.004 . . . . . . . 53 HEM HHA . 52508 1
30 . 3 . 2 1 1 HEM HHB H 1 10.243 0.004 . . . . . . . 53 HEM HHB . 52508 1
31 . 3 . 2 1 1 HEM HHC H 1 9.733 0.003 . . . . . . . 53 HEM HHC . 52508 1
32 . 3 . 2 1 1 HEM HHD H 1 9.895 0.001 . . . . . . . 53 HEM HHD . 52508 1
33 . 3 . 2 1 1 HEM HMA H 1 3.952 0.001 . . . . . . . 53 HEM HMA . 52508 1
34 . 3 . 2 1 1 HEM HMAA H 1 3.952 0.001 . . . . . . . 53 HEM HMAA . 52508 1
35 . 3 . 2 1 1 HEM HMAB H 1 3.952 0.001 . . . . . . . 53 HEM HMAB . 52508 1
36 . 3 . 2 1 1 HEM HMB H 1 4.376 0.003 . . . . . . . 53 HEM HMB . 52508 1
37 . 3 . 2 1 1 HEM HMBA H 1 4.376 0.003 . . . . . . . 53 HEM HMBA . 52508 1
38 . 3 . 2 1 1 HEM HMBB H 1 4.376 0.003 . . . . . . . 53 HEM HMBB . 52508 1
39 . 3 . 2 1 1 HEM HMC H 1 4.036 0.002 . . . . . . . 53 HEM HMC . 52508 1
40 . 3 . 2 1 1 HEM HMCA H 1 4.036 0.002 . . . . . . . 53 HEM HMCA . 52508 1
41 . 3 . 2 1 1 HEM HMCB H 1 4.036 0.002 . . . . . . . 53 HEM HMCB . 52508 1
42 . 3 . 2 1 1 HEM HMD H 1 3.522 0.001 . . . . . . . 53 HEM HMD . 52508 1
43 . 3 . 2 1 1 HEM HMDA H 1 3.522 0.001 . . . . . . . 53 HEM HMDA . 52508 1
44 . 3 . 2 1 1 HEM HMDB H 1 3.522 0.001 . . . . . . . 53 HEM HMDB . 52508 1
45 . 4 . 2 1 1 HEM HAB H 1 5.926 0.001 . . . . . . . 67 HEM HAB . 52508 1
46 . 4 . 2 1 1 HEM HAC H 1 6.359 0.002 . . . . . . . 67 HEM HAC . 52508 1
47 . 4 . 2 1 1 HEM HBB H 1 2.083 0.001 . . . . . . . 67 HEM HBB . 52508 1
48 . 4 . 2 1 1 HEM HBBA H 1 2.083 0.001 . . . . . . . 67 HEM HBBA . 52508 1
49 . 4 . 2 1 1 HEM HBC H 1 1.562 0.002 . . . . . . . 67 HEM HBC . 52508 1
50 . 4 . 2 1 1 HEM HBCA H 1 1.562 0.002 . . . . . . . 67 HEM HBCA . 52508 1
51 . 4 . 2 1 1 HEM HHA H 1 9.463 0.002 . . . . . . . 67 HEM HHA . 52508 1
52 . 4 . 2 1 1 HEM HHB H 1 9.450 0.002 . . . . . . . 67 HEM HHB . 52508 1
53 . 4 . 2 1 1 HEM HHC H 1 9.049 0.001 . . . . . . . 67 HEM HHC . 52508 1
54 . 4 . 2 1 1 HEM HHD H 1 9.362 0.003 . . . . . . . 67 HEM HHD . 52508 1
55 . 4 . 2 1 1 HEM HMA H 1 3.354 0.000 . . . . . . . 67 HEM HMA . 52508 1
56 . 4 . 2 1 1 HEM HMAA H 1 3.354 0.000 . . . . . . . 67 HEM HMAA . 52508 1
57 . 4 . 2 1 1 HEM HMAB H 1 3.354 0.000 . . . . . . . 67 HEM HMAB . 52508 1
58 . 4 . 2 1 1 HEM HMB H 1 3.632 0.002 . . . . . . . 67 HEM HMB . 52508 1
59 . 4 . 2 1 1 HEM HMBA H 1 3.632 0.002 . . . . . . . 67 HEM HMBA . 52508 1
60 . 4 . 2 1 1 HEM HMBB H 1 3.632 0.002 . . . . . . . 67 HEM HMBB . 52508 1
61 . 4 . 2 1 1 HEM HMC H 1 3.062 0.002 . . . . . . . 67 HEM HMC . 52508 1
62 . 4 . 2 1 1 HEM HMCA H 1 3.062 0.002 . . . . . . . 67 HEM HMCA . 52508 1
63 . 4 . 2 1 1 HEM HMCB H 1 3.062 0.002 . . . . . . . 67 HEM HMCB . 52508 1
64 . 4 . 2 1 1 HEM HMD H 1 3.685 0.001 . . . . . . . 67 HEM HMD . 52508 1
65 . 4 . 2 1 1 HEM HMDA H 1 3.685 0.001 . . . . . . . 67 HEM HMDA . 52508 1
66 . 4 . 2 1 1 HEM HMDB H 1 3.685 0.001 . . . . . . . 67 HEM HMDB . 52508 1
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