Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 25100
_Assigned_chem_shift_list.ID 1
_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-15N HSQC' . . . 25100 1
2 '2D 1H-15N HSQC' . . . 25100 1
3 '2D 1H-13C HSQC' . . . 25100 1
4 '2D 1H-13C HSQC' . . . 25100 1
5 '2D 1H-13C HSQC' . . . 25100 1
6 '2D 1H-13C HSQC' . . . 25100 1
7 '2D NOESY' . . . 25100 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 ALA HA H 1 4.159 0.0 . 1 . . . C 101 ALA HA . 25100 1
2 . 1 1 2 2 THR HA H 1 4.03943 0.0 . 1 . . . C 102 THR HA . 25100 1
3 . 1 1 2 2 THR HB H 1 3.88605 0.0 . 1 . . . C 102 THR HB . 25100 1
4 . 1 1 2 2 THR HG21 H 1 0.93912 0.0 . 1 . . . C 102 THR HG1 . 25100 1
5 . 1 1 2 2 THR HG22 H 1 0.93912 0.0 . 1 . . . C 102 THR HG1 . 25100 1
6 . 1 1 2 2 THR HG23 H 1 0.93912 0.0 . 1 . . . C 102 THR HG1 . 25100 1
7 . 1 1 3 3 VAL HA H 1 3.89603 0.0 . 1 . . . C 103 VAL HA . 25100 1
8 . 1 1 3 3 VAL HB H 1 1.79839 0.0 . 1 . . . C 103 VAL HB . 25100 1
9 . 1 1 21 21 LEU HA H 1 4.0699 0.0 . 1 . . . C 121 LEU HA . 25100 1
10 . 1 1 21 21 LEU HG H 1 1.25464 0.0 . 1 . . . C 121 LEU HG . 25100 1
11 . 1 1 23 23 ARG HA H 1 4.13583 0.0 . 1 . . . C 123 ARG HA . 25100 1
12 . 1 1 23 23 ARG HB2 H 1 1.75687 0.0 . 2 . . . C 123 ARG HB2 . 25100 1
13 . 1 1 23 23 ARG HD2 H 1 3.06312 0.0 . 2 . . . C 123 ARG HD2 . 25100 1
14 . 1 1 24 24 ASP HA H 1 4.36007 0.0 . 1 . . . C 124 ASP HA . 25100 1
15 . 1 1 26 26 CYS HA H 1 4.27619 0.0 . 1 . . . C 126 CYS HA . 25100 1
16 . 1 1 26 26 CYS HB2 H 1 1.75491 0.0 . 2 . . . C 126 CYS HB2 . 25100 1
17 . 1 1 27 27 ALA HA H 1 3.57289 0.0 . 1 . . . C 127 ALA HA . 25100 1
18 . 1 1 27 27 ALA HB1 H 1 0.952655 0.0 . 1 . . . C 127 ALA HB1 . 25100 1
19 . 1 1 27 27 ALA HB2 H 1 0.952655 0.0 . 1 . . . C 127 ALA HB2 . 25100 1
20 . 1 1 27 27 ALA HB3 H 1 0.952655 0.0 . 1 . . . C 127 ALA HB3 . 25100 1
21 . 1 1 28 28 TYR HA H 1 4.23773 0.0 . 1 . . . C 128 TYR HA . 25100 1
22 . 1 1 29 29 CYS HA H 1 4.05319 0.0 . 1 . . . C 129 CYS HA . 25100 1
23 . 1 1 30 30 LYS HE2 H 1 2.64225 0.0 . 2 . . . C 130 LYS HE2 . 25100 1
24 . 1 1 31 31 GLU HA H 1 4.195085 0.0 . 1 . . . C 131 GLU HA . 25100 1
25 . 1 1 31 31 GLU HG2 H 1 2.34018 0.0 . 2 . . . C 131 GLU HG2 . 25100 1
26 . 1 1 34 34 HIS HA H 1 4.00805 0.0 . 1 . . . C 134 HIS HA . 25100 1
27 . 1 1 34 34 HIS HD1 H 1 7.01896588235 0.0 . 1 . . . C 134 HIS HD1 . 25100 1
28 . 1 1 35 35 TRP HA H 1 5.25183153846 0.0 . 1 . . . C 135 TRP HA . 25100 1
29 . 1 1 35 35 TRP HB2 H 1 3.263855 0.0 . 2 . . . C 135 TRP HB2 . 25100 1
30 . 1 1 37 37 LYS HB2 H 1 1.752265 0.0 . 2 . . . C 137 LYS HB2 . 25100 1
31 . 1 1 37 37 LYS HG2 H 1 1.611418 0.0 . 2 . . . C 137 LYS HG2 . 25100 1
32 . 1 1 37 37 LYS HE2 H 1 2.7535625 0.0 . 2 . . . C 137 LYS HE2 . 25100 1
33 . 1 1 41 41 LYS HB2 H 1 1.7608 0.0 . 2 . . . C 141 LYS HB2 . 25100 1
34 . 1 1 41 41 LYS HB3 H 1 1.92041666667 0.0 . 2 . . . C 141 LYS HB3 . 25100 1
35 . 1 1 42 42 LYS HG2 H 1 0.668386666667 0.0 . 2 . . . C 142 LYS HG2 . 25100 1
36 . 1 1 42 42 LYS HE2 H 1 2.511014 0.0 . 2 . . . C 142 LYS HE2 . 25100 1
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save_