Content for NMR-STAR saveframe, "Aip-II_chemical_shift_list"
save_Aip-II_chemical_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Aip-II_chemical_shift_list
_Assigned_chem_shift_list.Entry_ID 21046
_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-1H TOCSY' 1 $sample_1 isotropic 21046 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 21046 1
3 '2D 1H-1H ROESY' 1 $sample_1 isotropic 21046 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 GLY HA2 H 1 3.745 0.000 . 2 . . . . 1 G HA# . 21046 1
2 . 1 1 1 1 GLY HA3 H 1 3.745 0.000 . 2 . . . . 1 G HA# . 21046 1
3 . 1 1 2 2 VAL H H 1 8.236 0.002 . 1 . . . . 2 V HN . 21046 1
4 . 1 1 2 2 VAL HA H 1 4.065 0.005 . 1 . . . . 2 V HA . 21046 1
5 . 1 1 2 2 VAL HB H 1 1.988 0.003 . 1 . . . . 2 V HB . 21046 1
6 . 1 1 2 2 VAL HG11 H 1 0.835 0.002 . 1 . . . . 2 V HG# . 21046 1
7 . 1 1 2 2 VAL HG12 H 1 0.835 0.002 . 1 . . . . 2 V HG# . 21046 1
8 . 1 1 2 2 VAL HG13 H 1 0.835 0.002 . 1 . . . . 2 V HG# . 21046 1
9 . 1 1 2 2 VAL HG21 H 1 0.835 0.002 . 1 . . . . 2 V HG# . 21046 1
10 . 1 1 2 2 VAL HG22 H 1 0.835 0.002 . 1 . . . . 2 V HG# . 21046 1
11 . 1 1 2 2 VAL HG23 H 1 0.835 0.002 . 1 . . . . 2 V HG# . 21046 1
12 . 1 1 3 3 ASN H H 1 8.248 0.009 . 1 . . . . 3 N HN . 21046 1
13 . 1 1 3 3 ASN HA H 1 4.577 0.001 . 1 . . . . 3 N HA . 21046 1
14 . 1 1 3 3 ASN HB2 H 1 2.717 0.006 . 1 . . . . 3 N HB1 . 21046 1
15 . 1 1 3 3 ASN HB3 H 1 2.623 0.004 . 1 . . . . 3 N HB2 . 21046 1
16 . 1 1 3 3 ASN HD21 H 1 7.382 0.004 . 1 . . . . 3 N HD1 . 21046 1
17 . 1 1 3 3 ASN HD22 H 1 6.695 0.003 . 1 . . . . 3 N HD2 . 21046 1
18 . 1 1 4 4 ALA H H 1 8.015 0.001 . 1 . . . . 4 A HN . 21046 1
19 . 1 1 4 4 ALA HA H 1 4.188 0.002 . 1 . . . . 4 A HA . 21046 1
20 . 1 1 4 4 ALA HB1 H 1 1.259 0.002 . 1 . . . . 4 A HB# . 21046 1
21 . 1 1 4 4 ALA HB2 H 1 1.259 0.002 . 1 . . . . 4 A HB# . 21046 1
22 . 1 1 4 4 ALA HB3 H 1 1.259 0.002 . 1 . . . . 4 A HB# . 21046 1
23 . 1 1 5 5 CYS H H 1 8.143 0.002 . 1 . . . . 5 C HN . 21046 1
24 . 1 1 5 5 CYS HA H 1 4.411 0.006 . 1 . . . . 5 C HA . 21046 1
25 . 1 1 5 5 CYS HB2 H 1 3.275 0.003 . 1 . . . . 5 C HB1 . 21046 1
26 . 1 1 5 5 CYS HB3 H 1 2.948 0.005 . 1 . . . . 5 C HB2 . 21046 1
27 . 1 1 6 6 SER H H 1 8.246 0.002 . 1 . . . . 6 S HN . 21046 1
28 . 1 1 6 6 SER HA H 1 4.320 0.003 . 1 . . . . 6 S HA . 21046 1
29 . 1 1 6 6 SER HB2 H 1 3.739 0.006 . 2 . . . . 6 S HB# . 21046 1
30 . 1 1 6 6 SER HB3 H 1 3.739 0.006 . 2 . . . . 6 S HB# . 21046 1
31 . 1 1 7 7 SER H H 1 8.015 0.003 . 1 . . . . 7 S HN . 21046 1
32 . 1 1 7 7 SER HA H 1 4.203 0.004 . 1 . . . . 7 S HA . 21046 1
33 . 1 1 7 7 SER HB2 H 1 3.835 0.003 . 2 . . . . 7 S HB# . 21046 1
34 . 1 1 7 7 SER HB3 H 1 3.835 0.003 . 2 . . . . 7 S HB# . 21046 1
35 . 1 1 8 8 LEU H H 1 7.805 0.002 . 1 . . . . 8 L HN . 21046 1
36 . 1 1 8 8 LEU HA H 1 3.995 0.001 . 1 . . . . 8 L HA . 21046 1
37 . 1 1 8 8 LEU HB2 H 1 1.161 0.006 . 1 . . . . 8 L HB1 . 21046 1
38 . 1 1 8 8 LEU HB3 H 1 1.013 0.008 . 1 . . . . 8 L HB2 . 21046 1
39 . 1 1 8 8 LEU HD11 H 1 0.712 0.004 . 1 . . . . 8 L HD1# . 21046 1
40 . 1 1 8 8 LEU HD12 H 1 0.712 0.004 . 1 . . . . 8 L HD1# . 21046 1
41 . 1 1 8 8 LEU HD13 H 1 0.712 0.004 . 1 . . . . 8 L HD1# . 21046 1
42 . 1 1 8 8 LEU HD21 H 1 0.654 0.004 . 1 . . . . 8 L HD2# . 21046 1
43 . 1 1 8 8 LEU HD22 H 1 0.654 0.004 . 1 . . . . 8 L HD2# . 21046 1
44 . 1 1 8 8 LEU HD23 H 1 0.654 0.004 . 1 . . . . 8 L HD2# . 21046 1
45 . 1 1 8 8 LEU HG H 1 1.253 0.002 . 1 . . . . 8 L HG . 21046 1
46 . 1 1 9 9 PHE H H 1 8.217 0.003 . 1 . . . . 9 F HN . 21046 1
47 . 1 1 9 9 PHE HA H 1 4.782 0.006 . 1 . . . . 9 F HA . 21046 1
48 . 1 1 9 9 PHE HB2 H 1 3.395 0.007 . 1 . . . . 9 F HB1 . 21046 1
49 . 1 1 9 9 PHE HB3 H 1 2.756 0.007 . 1 . . . . 9 F HB2 . 21046 1
50 . 1 1 9 9 PHE HD1 H 1 7.170 0.002 . 3 . . . . 9 F HD# . 21046 1
51 . 1 1 9 9 PHE HD2 H 1 7.170 0.002 . 3 . . . . 9 F HD# . 21046 1
52 . 1 1 9 9 PHE HE1 H 1 7.254 0.001 . 3 . . . . 9 F HE# . 21046 1
53 . 1 1 9 9 PHE HE2 H 1 7.254 0.001 . 3 . . . . 9 F HE# . 21046 1
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