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 52507
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name PpcAK19AW45M_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 .
loop_
_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' . . . 52507 1
2 '2D 1H-1H NOESY' . . . 52507 1
stop_
loop_
_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 . . 52507 1
stop_
loop_
_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 6.209 0.002 . . . . . . . 30 HEM HAB . 52507 1
2 . 2 . 2 1 1 HEM HAC H 1 6.246 0.001 . . . . . . . 30 HEM HAC . 52507 1
3 . 2 . 2 1 1 HEM HBB H 1 2.168 0.001 . . . . . . . 30 HEM HBB . 52507 1
4 . 2 . 2 1 1 HEM HBBA H 1 2.168 0.001 . . . . . . . 30 HEM HBBA . 52507 1
5 . 2 . 2 1 1 HEM HBC H 1 1.860 0.004 . . . . . . . 30 HEM HBC . 52507 1
6 . 2 . 2 1 1 HEM HBCA H 1 1.860 0.004 . . . . . . . 30 HEM HBCA . 52507 1
7 . 2 . 2 1 1 HEM HHA H 1 9.336 0.001 . . . . . . . 30 HEM HHA . 52507 1
8 . 2 . 2 1 1 HEM HHB H 1 9.528 0.001 . . . . . . . 30 HEM HHB . 52507 1
9 . 2 . 2 1 1 HEM HHC H 1 9.594 0.003 . . . . . . . 30 HEM HHC . 52507 1
10 . 2 . 2 1 1 HEM HHD H 1 9.119 0.002 . . . . . . . 30 HEM HHD . 52507 1
11 . 2 . 2 1 1 HEM HMA H 1 3.364 0.000 . . . . . . . 30 HEM HMA . 52507 1
12 . 2 . 2 1 1 HEM HMAA H 1 3.364 0.000 . . . . . . . 30 HEM HMAA . 52507 1
13 . 2 . 2 1 1 HEM HMAB H 1 3.364 0.000 . . . . . . . 30 HEM HMAB . 52507 1
14 . 2 . 2 1 1 HEM HMB H 1 3.548 0.002 . . . . . . . 30 HEM HMB . 52507 1
15 . 2 . 2 1 1 HEM HMBA H 1 3.548 0.002 . . . . . . . 30 HEM HMBA . 52507 1
16 . 2 . 2 1 1 HEM HMBB H 1 3.548 0.002 . . . . . . . 30 HEM HMBB . 52507 1
17 . 2 . 2 1 1 HEM HMC H 1 3.556 0.002 . . . . . . . 30 HEM HMC . 52507 1
18 . 2 . 2 1 1 HEM HMCA H 1 3.556 0.002 . . . . . . . 30 HEM HMCA . 52507 1
19 . 2 . 2 1 1 HEM HMCB H 1 3.556 0.002 . . . . . . . 30 HEM HMCB . 52507 1
20 . 2 . 2 1 1 HEM HMD H 1 2.672 0.002 . . . . . . . 30 HEM HMD . 52507 1
21 . 2 . 2 1 1 HEM HMDA H 1 2.672 0.002 . . . . . . . 30 HEM HMDA . 52507 1
22 . 2 . 2 1 1 HEM HMDB H 1 2.672 0.002 . . . . . . . 30 HEM HMDB . 52507 1
23 . 3 . 2 1 1 HEM HAB H 1 6.558 0.002 . . . . . . . 53 HEM HAB . 52507 1
24 . 3 . 2 1 1 HEM HAC H 1 6.599 0.001 . . . . . . . 53 HEM HAC . 52507 1
25 . 3 . 2 1 1 HEM HBB H 1 2.169 0.003 . . . . . . . 53 HEM HBB . 52507 1
26 . 3 . 2 1 1 HEM HBBA H 1 2.169 0.003 . . . . . . . 53 HEM HBBA . 52507 1
27 . 3 . 2 1 1 HEM HBC H 1 2.970 0.001 . . . . . . . 53 HEM HBC . 52507 1
28 . 3 . 2 1 1 HEM HBCA H 1 2.970 0.001 . . . . . . . 53 HEM HBCA . 52507 1
29 . 3 . 2 1 1 HEM HHA H 1 9.512 0.000 . . . . . . . 53 HEM HHA . 52507 1
30 . 3 . 2 1 1 HEM HHB H 1 10.231 0.001 . . . . . . . 53 HEM HHB . 52507 1
31 . 3 . 2 1 1 HEM HHC H 1 9.742 0.000 . . . . . . . 53 HEM HHC . 52507 1
32 . 3 . 2 1 1 HEM HHD H 1 9.883 0.001 . . . . . . . 53 HEM HHD . 52507 1
33 . 3 . 2 1 1 HEM HMA H 1 3.942 0.000 . . . . . . . 53 HEM HMA . 52507 1
34 . 3 . 2 1 1 HEM HMAA H 1 3.942 0.000 . . . . . . . 53 HEM HMAA . 52507 1
35 . 3 . 2 1 1 HEM HMAB H 1 3.942 0.000 . . . . . . . 53 HEM HMAB . 52507 1
36 . 3 . 2 1 1 HEM HMB H 1 4.390 0.003 . . . . . . . 53 HEM HMB . 52507 1
37 . 3 . 2 1 1 HEM HMBA H 1 4.390 0.003 . . . . . . . 53 HEM HMBA . 52507 1
38 . 3 . 2 1 1 HEM HMBB H 1 4.390 0.003 . . . . . . . 53 HEM HMBB . 52507 1
39 . 3 . 2 1 1 HEM HMC H 1 4.034 0.001 . . . . . . . 53 HEM HMC . 52507 1
40 . 3 . 2 1 1 HEM HMCA H 1 4.034 0.001 . . . . . . . 53 HEM HMCA . 52507 1
41 . 3 . 2 1 1 HEM HMCB H 1 4.034 0.001 . . . . . . . 53 HEM HMCB . 52507 1
42 . 3 . 2 1 1 HEM HMD H 1 3.509 0.001 . . . . . . . 53 HEM HMD . 52507 1
43 . 3 . 2 1 1 HEM HMDA H 1 3.509 0.001 . . . . . . . 53 HEM HMDA . 52507 1
44 . 3 . 2 1 1 HEM HMDB H 1 3.509 0.001 . . . . . . . 53 HEM HMDB . 52507 1
45 . 4 . 2 1 1 HEM HAB H 1 5.936 0.004 . . . . . . . 67 HEM HAB . 52507 1
46 . 4 . 2 1 1 HEM HAC H 1 6.365 0.001 . . . . . . . 67 HEM HAC . 52507 1
47 . 4 . 2 1 1 HEM HBB H 1 2.084 0.001 . . . . . . . 67 HEM HBB . 52507 1
48 . 4 . 2 1 1 HEM HBBA H 1 2.084 0.001 . . . . . . . 67 HEM HBBA . 52507 1
49 . 4 . 2 1 1 HEM HBC H 1 1.576 0.001 . . . . . . . 67 HEM HBC . 52507 1
50 . 4 . 2 1 1 HEM HBCA H 1 1.576 0.001 . . . . . . . 67 HEM HBCA . 52507 1
51 . 4 . 2 1 1 HEM HHA H 1 9.465 0.000 . . . . . . . 67 HEM HHA . 52507 1
52 . 4 . 2 1 1 HEM HHB H 1 9.449 0.001 . . . . . . . 67 HEM HHB . 52507 1
53 . 4 . 2 1 1 HEM HHC H 1 9.053 0.000 . . . . . . . 67 HEM HHC . 52507 1
54 . 4 . 2 1 1 HEM HHD H 1 9.368 0.000 . . . . . . . 67 HEM HHD . 52507 1
55 . 4 . 2 1 1 HEM HMA H 1 3.356 0.000 . . . . . . . 67 HEM HMA . 52507 1
56 . 4 . 2 1 1 HEM HMAA H 1 3.356 0.000 . . . . . . . 67 HEM HMAA . 52507 1
57 . 4 . 2 1 1 HEM HMAB H 1 3.356 0.000 . . . . . . . 67 HEM HMAB . 52507 1
58 . 4 . 2 1 1 HEM HMB H 1 3.626 0.006 . . . . . . . 67 HEM HMB . 52507 1
59 . 4 . 2 1 1 HEM HMBA H 1 3.626 0.006 . . . . . . . 67 HEM HMBA . 52507 1
60 . 4 . 2 1 1 HEM HMBB H 1 3.626 0.006 . . . . . . . 67 HEM HMBB . 52507 1
61 . 4 . 2 1 1 HEM HMC H 1 3.067 0.001 . . . . . . . 67 HEM HMC . 52507 1
62 . 4 . 2 1 1 HEM HMCA H 1 3.067 0.001 . . . . . . . 67 HEM HMCA . 52507 1
63 . 4 . 2 1 1 HEM HMCB H 1 3.067 0.001 . . . . . . . 67 HEM HMCB . 52507 1
64 . 4 . 2 1 1 HEM HMD H 1 3.696 0.001 . . . . . . . 67 HEM HMD . 52507 1
65 . 4 . 2 1 1 HEM HMDA H 1 3.696 0.001 . . . . . . . 67 HEM HMDA . 52507 1
66 . 4 . 2 1 1 HEM HMDB H 1 3.696 0.001 . . . . . . . 67 HEM HMDB . 52507 1
stop_
save_