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 28125
_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
4 '2D 1H-13C HSQC' . . . 28125 2
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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 2.047 0.005 . 1 . . . . . 1 ACE H1 . 28125 2
2 . 1 . 1 1 1 ACE H2 H 1 2.047 0.005 . 1 . . . . . 1 ACE H2 . 28125 2
3 . 1 . 1 1 1 ACE H3 H 1 2.047 0.005 . 1 . . . . . 1 ACE H3 . 28125 2
4 . 1 . 1 1 1 ACE CH3 C 13 24.433 0.100 . 1 . . . . . 1 ACE CH3 . 28125 2
5 . 1 . 1 2 2 GLY HA2 H 1 3.954 0.005 . 5 . . . . . 2 GLY HA . 28125 2
6 . 1 . 1 2 2 GLY HA3 H 1 3.954 0.005 . 5 . . . . . 2 GLY HA . 28125 2
7 . 1 . 1 2 2 GLY CA C 13 45.349 0.100 . 5 . . . . . 2 GLY CA . 28125 2
8 . 1 . 1 3 3 GLY HA2 H 1 4.006 0.005 . 5 . . . . . 3 GLY HA . 28125 2
9 . 1 . 1 3 3 GLY HA3 H 1 4.006 0.005 . 5 . . . . . 3 GLY HA . 28125 2
10 . 1 . 1 3 3 GLY CA C 13 45.259 0.100 . 5 . . . . . 3 GLY CA . 28125 2
11 . 1 . 1 4 4 KYN HA H 1 4.964 0.005 . 1 . . . . . 4 KYN HA . 28125 2
12 . 1 . 1 4 4 KYN HB H 1 3.676 0.005 . 2 . . . . . 4 KYN HB . 28125 2
13 . 1 . 1 4 4 KYN HD1 H 1 6.783 0.005 . 1 . . . . . 4 KYN HD1 . 28125 2
14 . 1 . 1 4 4 KYN HE1 H 1 7.403 0.005 . 1 . . . . . 4 KYN HE1 . 28125 2
15 . 1 . 1 4 4 KYN HE2 H 1 7.818 0.005 . 1 . . . . . 4 KYN HE2 . 28125 2
16 . 1 . 1 4 4 KYN HZ H 1 6.846 0.005 . 1 . . . . . 4 KYN HZ . 28125 2
17 . 1 . 1 4 4 KYN HBA H 1 3.602 0.005 . 2 . . . . . 4 KYN HBA . 28125 2
18 . 1 . 1 4 4 KYN C1 C 13 202.986 0.100 . 1 . . . . . 4 KYN C1 . 28125 2
19 . 1 . 1 4 4 KYN CA C 13 52.671 0.100 . 1 . . . . . 4 KYN CA . 28125 2
20 . 1 . 1 4 4 KYN CB C 13 42.836 0.100 . 1 . . . . . 4 KYN CB . 28125 2
21 . 1 . 1 4 4 KYN CG C 13 153.204 0.100 . 1 . . . . . 4 KYN CG . 28125 2
22 . 1 . 1 4 4 KYN CD1 C 13 119.387 0.100 . 1 . . . . . 4 KYN CD1 . 28125 2
23 . 1 . 1 4 4 KYN CD2 C 13 120.098 0.100 . 1 . . . . . 4 KYN CD2 . 28125 2
24 . 1 . 1 4 4 KYN CE1 C 13 138.343 0.100 . 1 . . . . . 4 KYN CE1 . 28125 2
25 . 1 . 1 4 4 KYN CE2 C 13 134.162 0.100 . 1 . . . . . 4 KYN CE2 . 28125 2
26 . 1 . 1 4 4 KYN CZ C 13 120.662 0.100 . 1 . . . . . 4 KYN CZ . 28125 2
27 . 1 . 1 5 5 GLY HA2 H 1 4.006 0.005 . 5 . . . . . 5 GLY HA . 28125 2
28 . 1 . 1 5 5 GLY HA3 H 1 4.006 0.005 . 5 . . . . . 5 GLY HA . 28125 2
29 . 1 . 1 5 5 GLY CA C 13 45.259 0.100 . 5 . . . . . 5 GLY CA . 28125 2
30 . 1 . 1 6 6 GLY HA2 H 1 3.951 0.005 . 5 . . . . . 6 GLY HA . 28125 2
31 . 1 . 1 6 6 GLY HA3 H 1 3.951 0.005 . 5 . . . . . 6 GLY HA . 28125 2
32 . 1 . 1 6 6 GLY CA C 13 44.745 0.100 . 5 . . . . . 6 GLY CA . 28125 2
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save_