Content for NMR-STAR saveframe, "assigned_chem_shift_list_pH_2_3"
save_assigned_chem_shift_list_pH_2_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_pH_2_3
_Assigned_chem_shift_list.Entry_ID 28124
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $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
1 '2D 1H-13C HSQC' . . . 28124 1
4 '2D 1H-13C HMBC' . . . 28124 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 . 1 . 1 1 1 ACE H1 H 1 2.075 0.005 . 1 . . . . . 1 ACE H . 28124 1
2 . 1 . 1 1 1 ACE H2 H 1 2.075 0.005 . 1 . . . . . 1 ACE H . 28124 1
3 . 1 . 1 1 1 ACE H3 H 1 2.075 0.005 . 1 . . . . . 1 ACE H . 28124 1
4 . 1 . 1 1 1 ACE CH3 C 13 24.469 0.100 . 1 . . . . . 1 ACE C . 28124 1
5 . 1 . 1 2 2 GLY HA2 H 1 3.879 0.005 . 1 . . . . . 2 GLY HA . 28124 1
6 . 1 . 1 2 2 GLY HA3 H 1 3.879 0.005 . 1 . . . . . 2 GLY HA . 28124 1
7 . 1 . 1 2 2 GLY CA C 13 45.212 0.100 . 1 . . . . . 2 GLY CA . 28124 1
8 . 1 . 1 3 3 GLY HA2 H 1 4.010 0.005 . 1 . . . . . 3 GLY HA . 28124 1
9 . 1 . 1 3 3 GLY HA3 H 1 4.010 0.005 . 1 . . . . . 3 GLY HA . 28124 1
10 . 1 . 1 3 3 GLY CA C 13 45.226 0.100 . 1 . . . . . 3 GLY CA . 28124 1
11 . 1 . 1 4 4 4PQ H4 H 1 4.725 0.005 . 1 . . . . . 4 4PQ H4 . 28124 1
12 . 1 . 1 4 4 4PQ H5 H 1 3.207 0.005 . 2 . . . . . 4 4PQ H5 . 28124 1
13 . 1 . 1 4 4 4PQ H6 H 1 3.244 0.005 . 2 . . . . . 4 4PQ H6 . 28124 1
14 . 1 . 1 4 4 4PQ H7 H 1 7.250 0.005 . 1 . . . . . 4 4PQ H7 . 28124 1
15 . 1 . 1 4 4 4PQ H9 H 1 7.370 0.005 . 1 . . . . . 4 4PQ H9 . 28124 1
16 . 1 . 1 4 4 4PQ H10 H 1 6.840 0.005 . 1 . . . . . 4 4PQ H10 . 28124 1
17 . 1 . 1 4 4 4PQ H11 H 1 7.050 0.005 . 1 . . . . . 4 4PQ H11 . 28124 1
18 . 1 . 1 4 4 4PQ C C 13 176.634 0.100 . 1 . . . . . 4 4PQ C . 28124 1
19 . 1 . 1 4 4 4PQ CA C 13 57.526 0.100 . 1 . . . . . 4 4PQ CA . 28124 1
20 . 1 . 1 4 4 4PQ CB C 13 29.956 0.100 . 1 . . . . . 4 4PQ CB . 28124 1
21 . 1 . 1 4 4 4PQ CG C 13 110.986 0.100 . 1 . . . . . 4 4PQ CG . 28124 1
22 . 1 . 1 4 4 4PQ CD1 C 13 128.297 0.100 . 1 . . . . . 4 4PQ CD1 . 28124 1
23 . 1 . 1 4 4 4PQ CD2 C 13 130.316 0.100 . 1 . . . . . 4 4PQ CD2 . 28124 1
24 . 1 . 1 4 4 4PQ CE2 C 13 133.960 0.100 . 1 . . . . . 4 4PQ CE2 . 28124 1
25 . 1 . 1 4 4 4PQ CE3 C 13 105.277 0.100 . 1 . . . . . 4 4PQ CE3 . 28124 1
26 . 1 . 1 4 4 4PQ CZ2 C 13 115.486 0.100 . 1 . . . . . 4 4PQ CZ2 . 28124 1
27 . 1 . 1 4 4 4PQ CZ3 C 13 151.641 0.100 . 1 . . . . . 4 4PQ CZ3 . 28124 1
28 . 1 . 1 4 4 4PQ CH2 C 13 114.534 0.100 . 1 . . . . . 4 4PQ CH2 . 28124 1
29 . 1 . 1 5 5 GLY HA2 H 1 4.084 0.005 . 1 . . . . . 5 GLY HA . 28124 1
30 . 1 . 1 5 5 GLY HA3 H 1 4.084 0.005 . 1 . . . . . 5 GLY HA . 28124 1
31 . 1 . 1 5 5 GLY CA C 13 45.160 0.100 . 1 . . . . . 5 GLY CA . 28124 1
32 . 1 . 1 6 6 GLY HA2 H 1 3.938 0.005 . 1 . . . . . 6 GLY HA . 28124 1
33 . 1 . 1 6 6 GLY HA3 H 1 3.938 0.005 . 1 . . . . . 6 GLY HA . 28124 1
34 . 1 . 1 6 6 GLY CA C 13 44.762 0.100 . 1 . . . . . 6 GLY CA . 28124 1
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save_