Content for NMR-STAR saveframe, "assigned_chem_shift_list_pH_7_4"
save_assigned_chem_shift_list_pH_7_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_pH_7_4
_Assigned_chem_shift_list.Entry_ID 28124
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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
5 '2D 1H-13C HSQC' . . . 28124 2
8 '2D 1H-13C HMBC' . . . 28124 2
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 . 1 . 1 1 1 ACE H1 H 1 2.077 0.005 . 1 . . . . . 1 ACE H . 28124 2
2 . 1 . 1 1 1 ACE H2 H 1 2.077 0.005 . 1 . . . . . 1 ACE H . 28124 2
3 . 1 . 1 1 1 ACE H3 H 1 2.077 0.005 . 1 . . . . . 1 ACE H . 28124 2
4 . 1 . 1 1 1 ACE CH3 C 13 24.455 0.100 . 1 . . . . . 1 ACE C . 28124 2
5 . 1 . 1 2 2 GLY HA2 H 1 3.885 0.005 . 1 . . . . . 2 GLY HA . 28124 2
6 . 1 . 1 2 2 GLY HA3 H 1 3.885 0.005 . 1 . . . . . 2 GLY HA . 28124 2
7 . 1 . 1 2 2 GLY CA C 13 45.223 0.100 . 1 . . . . . 2 GLY CA . 28124 2
8 . 1 . 1 3 3 GLY HA2 H 1 4.011 0.005 . 1 . . . . . 3 GLY HA . 28124 2
9 . 1 . 1 3 3 GLY HA3 H 1 4.011 0.005 . 1 . . . . . 3 GLY HA . 28124 2
10 . 1 . 1 3 3 GLY CA C 13 45.234 0.100 . 1 . . . . . 3 GLY CA . 28124 2
11 . 1 . 1 4 4 4PQ H4 H 1 4.724 0.005 . 1 . . . . . 4 4PQ H4 . 28124 2
12 . 1 . 1 4 4 4PQ H5 H 1 3.207 0.005 . 2 . . . . . 4 4PQ H5 . 28124 2
13 . 1 . 1 4 4 4PQ H6 H 1 3.253 0.005 . 2 . . . . . 4 4PQ H6 . 28124 2
14 . 1 . 1 4 4 4PQ H7 H 1 7.250 0.005 . 1 . . . . . 4 4PQ H7 . 28124 2
15 . 1 . 1 4 4 4PQ H9 H 1 7.373 0.005 . 1 . . . . . 4 4PQ H9 . 28124 2
16 . 1 . 1 4 4 4PQ H10 H 1 6.840 0.005 . 1 . . . . . 4 4PQ H10 . 28124 2
17 . 1 . 1 4 4 4PQ H11 H 1 7.050 0.005 . 1 . . . . . 4 4PQ H11 . 28124 2
18 . 1 . 1 4 4 4PQ C C 13 176.720 0.100 . 1 . . . . . 4 4PQ C . 28124 2
19 . 1 . 1 4 4 4PQ CA C 13 57.460 0.100 . 1 . . . . . 4 4PQ CA . 28124 2
20 . 1 . 1 4 4 4PQ CB C 13 29.952 0.100 . 1 . . . . . 4 4PQ CB . 28124 2
21 . 1 . 1 4 4 4PQ CG C 13 110.900 0.100 . 1 . . . . . 4 4PQ CG . 28124 2
22 . 1 . 1 4 4 4PQ CD1 C 13 128.287 0.100 . 1 . . . . . 4 4PQ CD1 . 28124 2
23 . 1 . 1 4 4 4PQ CD2 C 13 130.353 0.100 . 1 . . . . . 4 4PQ CD2 . 28124 2
24 . 1 . 1 4 4 4PQ CE2 C 13 133.961 0.100 . 1 . . . . . 4 4PQ CE2 . 28124 2
25 . 1 . 1 4 4 4PQ CE3 C 13 105.288 0.100 . 1 . . . . . 4 4PQ CE3 . 28124 2
26 . 1 . 1 4 4 4PQ CZ2 C 13 115.497 0.100 . 1 . . . . . 4 4PQ CZ2 . 28124 2
27 . 1 . 1 4 4 4PQ CZ3 C 13 151.765 0.100 . 1 . . . . . 4 4PQ CZ3 . 28124 2
28 . 1 . 1 4 4 4PQ CH2 C 13 114.523 0.100 . 1 . . . . . 4 4PQ CH2 . 28124 2
29 . 1 . 1 5 5 GLY HA2 H 1 4.079 0.005 . 1 . . . . . 5 GLY HA . 28124 2
30 . 1 . 1 5 5 GLY HA3 H 1 4.079 0.005 . 1 . . . . . 5 GLY HA . 28124 2
31 . 1 . 1 5 5 GLY CA C 13 45.148 0.100 . 1 . . . . . 5 GLY CA . 28124 2
32 . 1 . 1 6 6 GLY HA2 H 1 3.941 0.100 . 1 . . . . . 6 GLY HA . 28124 2
33 . 1 . 1 6 6 GLY HA3 H 1 3.941 0.100 . 1 . . . . . 6 GLY HA . 28124 2
34 . 1 . 1 6 6 GLY CA C 13 44.762 0.100 . 1 . . . . . 6 GLY CA . 28124 2
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save_