Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 53495
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name L50-free-pH72_310K
_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 $chem_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 .
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_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' . . . 53495 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 53495 1
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_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 2 2 VAL HB H 1 1.93 0.01 . 1 . . . . . 2 VAL HB . 53495 1
2 . 1 . 1 2 2 VAL HG11 H 1 0.87 0.01 . 2 . . . . . 2 VAL HG11 . 53495 1
3 . 1 . 1 2 2 VAL HG12 H 1 0.87 0.01 . 2 . . . . . 2 VAL HG12 . 53495 1
4 . 1 . 1 2 2 VAL HG13 H 1 0.87 0.01 . 2 . . . . . 2 VAL HG13 . 53495 1
5 . 1 . 1 2 2 VAL HG21 H 1 0.82 0.01 . 2 . . . . . 2 VAL HG21 . 53495 1
6 . 1 . 1 2 2 VAL HG22 H 1 0.82 0.01 . 2 . . . . . 2 VAL HG22 . 53495 1
7 . 1 . 1 2 2 VAL HG23 H 1 0.82 0.01 . 2 . . . . . 2 VAL HG23 . 53495 1
8 . 1 . 1 2 2 VAL CB C 13 33.8 0.2 . 1 . . . . . 2 VAL CB . 53495 1
9 . 1 . 1 2 2 VAL CG1 C 13 21.0 0.2 . 2 . . . . . 2 VAL CG1 . 53495 1
10 . 1 . 1 2 2 VAL CG2 C 13 21.3 0.2 . 2 . . . . . 2 VAL CG2 . 53495 1
11 . 1 . 1 4 4 THR HB H 1 4.08 0.01 . 1 . . . . . 4 THR HB . 53495 1
12 . 1 . 1 4 4 THR HG21 H 1 1.11 0.01 . 1 . . . . . 4 THR HG21 . 53495 1
13 . 1 . 1 4 4 THR HG22 H 1 1.11 0.01 . 1 . . . . . 4 THR HG22 . 53495 1
14 . 1 . 1 4 4 THR HG23 H 1 1.11 0.01 . 1 . . . . . 4 THR HG23 . 53495 1
15 . 1 . 1 4 4 THR CB C 13 69.9 0.2 . 1 . . . . . 4 THR CB . 53495 1
16 . 1 . 1 4 4 THR CG2 C 13 21.8 0.2 . 1 . . . . . 4 THR CG2 . 53495 1
17 . 1 . 1 6 6 GLY HA2 H 1 3.73 0.01 . 2 . . . . . 6 GLY HA2 . 53495 1
18 . 1 . 1 6 6 GLY HA3 H 1 4.05 0.01 . 2 . . . . . 6 GLY HA3 . 53495 1
19 . 1 . 1 6 6 GLY CA C 13 46.7 0.2 . 1 . . . . . 6 GLY CA . 53495 1
20 . 1 . 1 7 7 LYS HA H 1 4.25 0.01 . 1 . . . . . 7 LYS HA . 53495 1
21 . 1 . 1 7 7 LYS HB2 H 1 2.01 0.01 . 1 . . . . . 7 LYS HB2 . 53495 1
22 . 1 . 1 7 7 LYS HB3 H 1 2.01 0.01 . 1 . . . . . 7 LYS HB3 . 53495 1
23 . 1 . 1 7 7 LYS HG2 H 1 1.47 0.01 . 1 . . . . . 7 LYS HG2 . 53495 1
24 . 1 . 1 7 7 LYS HG3 H 1 1.47 0.01 . 1 . . . . . 7 LYS HG3 . 53495 1
25 . 1 . 1 7 7 LYS HD2 H 1 1.70 0.01 . 1 . . . . . 7 LYS HD2 . 53495 1
26 . 1 . 1 7 7 LYS HD3 H 1 1.70 0.01 . 1 . . . . . 7 LYS HD3 . 53495 1
27 . 1 . 1 7 7 LYS HE2 H 1 3.01 0.01 . 1 . . . . . 7 LYS HE2 . 53495 1
28 . 1 . 1 7 7 LYS HE3 H 1 3.01 0.01 . 1 . . . . . 7 LYS HE3 . 53495 1
29 . 1 . 1 7 7 LYS CA C 13 56.6 0.2 . 1 . . . . . 7 LYS CA . 53495 1
30 . 1 . 1 7 7 LYS CB C 13 32.5 0.2 . 1 . . . . . 7 LYS CB . 53495 1
31 . 1 . 1 7 7 LYS CG C 13 25.1 0.2 . 1 . . . . . 7 LYS CG . 53495 1
32 . 1 . 1 7 7 LYS CD C 13 28.9 0.2 . 1 . . . . . 7 LYS CD . 53495 1
33 . 1 . 1 7 7 LYS CE C 13 41.9 0.2 . 1 . . . . . 7 LYS CE . 53495 1
34 . 1 . 1 10 10 ILE HA H 1 4.35 0.01 . 1 . . . . . 10 ILE HA . 53495 1
35 . 1 . 1 10 10 ILE HB H 1 1.80 0.01 . 1 . . . . . 10 ILE HB . 53495 1
36 . 1 . 1 10 10 ILE HG12 H 1 1.11 0.01 . 2 . . . . . 10 ILE HG12 . 53495 1
37 . 1 . 1 10 10 ILE HG13 H 1 1.38 0.01 . 2 . . . . . 10 ILE HG13 . 53495 1
38 . 1 . 1 10 10 ILE HG21 H 1 0.87 0.01 . 1 . . . . . 10 ILE HG21 . 53495 1
39 . 1 . 1 10 10 ILE HG22 H 1 0.87 0.01 . 1 . . . . . 10 ILE HG22 . 53495 1
40 . 1 . 1 10 10 ILE HG23 H 1 0.87 0.01 . 1 . . . . . 10 ILE HG23 . 53495 1
41 . 1 . 1 10 10 ILE HD11 H 1 0.80 0.01 . 1 . . . . . 10 ILE HD11 . 53495 1
42 . 1 . 1 10 10 ILE HD12 H 1 0.80 0.01 . 1 . . . . . 10 ILE HD12 . 53495 1
43 . 1 . 1 10 10 ILE HD13 H 1 0.80 0.01 . 1 . . . . . 10 ILE HD13 . 53495 1
44 . 1 . 1 10 10 ILE CA C 13 60.0 0.2 . 1 . . . . . 10 ILE CA . 53495 1
45 . 1 . 1 10 10 ILE CB C 13 40.3 0.2 . 1 . . . . . 10 ILE CB . 53495 1
46 . 1 . 1 10 10 ILE CG1 C 13 27.3 0.2 . 1 . . . . . 10 ILE CG1 . 53495 1
47 . 1 . 1 10 10 ILE CG2 C 13 17.7 0.2 . 1 . . . . . 10 ILE CG2 . 53495 1
48 . 1 . 1 10 10 ILE CD1 C 13 13.4 0.2 . 1 . . . . . 10 ILE CD . 53495 1
49 . 1 . 1 13 13 DPR HB2 H 1 1.93 0.01 . 2 . . . . . 13 DPR HB2 . 53495 1
50 . 1 . 1 13 13 DPR HB3 H 1 2.31 0.01 . 2 . . . . . 13 DPR HB3 . 53495 1
51 . 1 . 1 13 13 DPR HG2 H 1 2.14 0.01 . 2 . . . . . 13 DPR HG2 . 53495 1
52 . 1 . 1 13 13 DPR HG3 H 1 2.03 0.01 . 2 . . . . . 13 DPR HG3 . 53495 1
53 . 1 . 1 13 13 DPR HD2 H 1 3.82 0.01 . 2 . . . . . 13 DPR HD2 . 53495 1
54 . 1 . 1 13 13 DPR HD3 H 1 3.51 0.01 . 2 . . . . . 13 DPR HD3 . 53495 1
55 . 1 . 1 13 13 DPR CB C 13 30.6 0.2 . 1 . . . . . 13 DPR CB . 53495 1
56 . 1 . 1 13 13 DPR CG C 13 27.7 0.2 . 1 . . . . . 13 DPR CG . 53495 1
57 . 1 . 1 13 13 DPR CD C 13 51.0 0.2 . 1 . . . . . 13 DPR CD . 53495 1
58 . 1 . 1 14 14 PRO HB2 H 1 2.27 0.01 . 2 . . . . . 14 PRO HB2 . 53495 1
59 . 1 . 1 14 14 PRO HB3 H 1 2.11 0.01 . 2 . . . . . 14 PRO HB3 . 53495 1
60 . 1 . 1 14 14 PRO HG2 H 1 1.92 0.01 . 2 . . . . . 14 PRO HG2 . 53495 1
61 . 1 . 1 14 14 PRO HG3 H 1 2.11 0.01 . 2 . . . . . 14 PRO HG3 . 53495 1
62 . 1 . 1 14 14 PRO HD2 H 1 3.75 0.01 . 2 . . . . . 14 PRO HD2 . 53495 1
63 . 1 . 1 14 14 PRO HD3 H 1 3.98 0.01 . 2 . . . . . 14 PRO HD3 . 53495 1
64 . 1 . 1 14 14 PRO CB C 13 32.4 0.2 . 1 . . . . . 14 PRO CB . 53495 1
65 . 1 . 1 14 14 PRO CG C 13 26.5 0.2 . 1 . . . . . 14 PRO CG . 53495 1
66 . 1 . 1 14 14 PRO CD C 13 51.0 0.2 . 1 . . . . . 14 PRO CD . 53495 1
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