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 36074
_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 $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 .
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 36074 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36074 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.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 THR HA H 1 4.123 0.003 . 1 . . . . A 1 THR HA . 36074 1
2 . 1 1 1 1 THR HB H 1 3.910 0.080 . 1 . . . . A 1 THR HB . 36074 1
3 . 1 1 1 1 THR HG21 H 1 1.240 0.004 . 1 . . . . A 1 THR HG21 . 36074 1
4 . 1 1 1 1 THR HG22 H 1 1.240 0.004 . 1 . . . . A 1 THR HG22 . 36074 1
5 . 1 1 1 1 THR HG23 H 1 1.240 0.004 . 1 . . . . A 1 THR HG23 . 36074 1
6 . 1 1 2 2 VAL HA H 1 3.945 0.008 . 1 . . . . A 2 VAL HA . 36074 1
7 . 1 1 2 2 VAL HB H 1 2.033 0.055 . 1 . . . . A 2 VAL HB . 36074 1
8 . 1 1 2 2 VAL HG11 H 1 0.860 0.040 . 2 . . . . A 2 VAL HG11 . 36074 1
9 . 1 1 2 2 VAL HG12 H 1 0.860 0.040 . 2 . . . . A 2 VAL HG12 . 36074 1
10 . 1 1 2 2 VAL HG13 H 1 0.860 0.040 . 2 . . . . A 2 VAL HG13 . 36074 1
11 . 1 1 2 2 VAL HG21 H 1 0.771 0.001 . 2 . . . . A 2 VAL HG21 . 36074 1
12 . 1 1 2 2 VAL HG22 H 1 0.771 0.001 . 2 . . . . A 2 VAL HG22 . 36074 1
13 . 1 1 2 2 VAL HG23 H 1 0.771 0.001 . 2 . . . . A 2 VAL HG23 . 36074 1
14 . 1 1 3 3 TYR HA H 1 4.332 0.061 . 1 . . . . A 3 TYR HA . 36074 1
15 . 1 1 3 3 TYR HB2 H 1 3.090 0.004 . 2 . . . . A 3 TYR HB2 . 36074 1
16 . 1 1 3 3 TYR HB3 H 1 3.090 0.004 . 2 . . . . A 3 TYR HB3 . 36074 1
17 . 1 1 4 4 VAL HA H 1 3.694 0.008 . 1 . . . . A 4 VAL HA . 36074 1
18 . 1 1 4 4 VAL HB H 1 2.130 0.035 . 1 . . . . A 4 VAL HB . 36074 1
19 . 1 1 4 4 VAL HG11 H 1 1.040 0.004 . 2 . . . . A 4 VAL HG11 . 36074 1
20 . 1 1 4 4 VAL HG12 H 1 1.040 0.004 . 2 . . . . A 4 VAL HG12 . 36074 1
21 . 1 1 4 4 VAL HG13 H 1 1.040 0.004 . 2 . . . . A 4 VAL HG13 . 36074 1
22 . 1 1 4 4 VAL HG21 H 1 0.900 0.001 . 2 . . . . A 4 VAL HG21 . 36074 1
23 . 1 1 4 4 VAL HG22 H 1 0.900 0.001 . 2 . . . . A 4 VAL HG22 . 36074 1
24 . 1 1 4 4 VAL HG23 H 1 0.900 0.001 . 2 . . . . A 4 VAL HG23 . 36074 1
25 . 1 1 5 5 TYR HA H 1 4.201 0.041 . 1 . . . . A 5 TYR HA . 36074 1
26 . 1 1 5 5 TYR HB2 H 1 3.071 0.007 . 2 . . . . A 5 TYR HB2 . 36074 1
27 . 1 1 5 5 TYR HB3 H 1 3.071 0.007 . 2 . . . . A 5 TYR HB3 . 36074 1
28 . 1 1 6 6 SER HA H 1 4.195 0.003 . 1 . . . . A 6 SER HA . 36074 1
29 . 1 1 6 6 SER HB2 H 1 3.881 0.019 . 2 . . . . A 6 SER HB2 . 36074 1
30 . 1 1 6 6 SER HB3 H 1 3.881 0.019 . 2 . . . . A 6 SER HB3 . 36074 1
31 . 1 1 7 7 ARG HA H 1 4.233 0.007 . 1 . . . . A 7 ARG HA . 36074 1
32 . 1 1 7 7 ARG HB2 H 1 1.830 0.003 . 2 . . . . A 7 ARG HB2 . 36074 1
33 . 1 1 7 7 ARG HB3 H 1 1.830 0.003 . 2 . . . . A 7 ARG HB3 . 36074 1
34 . 1 1 7 7 ARG HG2 H 1 1.590 0.003 . 2 . . . . A 7 ARG HG2 . 36074 1
35 . 1 1 7 7 ARG HG3 H 1 1.590 0.003 . 2 . . . . A 7 ARG HG3 . 36074 1
36 . 1 1 8 8 VAL HA H 1 3.994 0.008 . 1 . . . . A 8 VAL HA . 36074 1
37 . 1 1 8 8 VAL HB H 1 2.090 0.035 . 1 . . . . A 8 VAL HB . 36074 1
38 . 1 1 8 8 VAL HG11 H 1 0.950 0.004 . 2 . . . . A 8 VAL HG11 . 36074 1
39 . 1 1 8 8 VAL HG12 H 1 0.950 0.004 . 2 . . . . A 8 VAL HG12 . 36074 1
40 . 1 1 8 8 VAL HG13 H 1 0.950 0.004 . 2 . . . . A 8 VAL HG13 . 36074 1
41 . 1 1 8 8 VAL HG21 H 1 0.950 0.004 . 2 . . . . A 8 VAL HG21 . 36074 1
42 . 1 1 8 8 VAL HG22 H 1 0.950 0.004 . 2 . . . . A 8 VAL HG22 . 36074 1
43 . 1 1 8 8 VAL HG23 H 1 0.950 0.004 . 2 . . . . A 8 VAL HG23 . 36074 1
44 . 1 1 9 9 LYS HA H 1 4.204 0.006 . 1 . . . . A 9 LYS HA . 36074 1
45 . 1 1 9 9 LYS HB2 H 1 1.700 0.003 . 2 . . . . A 9 LYS HB2 . 36074 1
46 . 1 1 9 9 LYS HB3 H 1 1.700 0.003 . 2 . . . . A 9 LYS HB3 . 36074 1
47 . 1 1 9 9 LYS HG2 H 1 1.300 0.003 . 2 . . . . A 9 LYS HG2 . 36074 1
48 . 1 1 9 9 LYS HG3 H 1 1.300 0.003 . 2 . . . . A 9 LYS HG3 . 36074 1
49 . 1 1 9 9 LYS HD2 H 1 1.520 0.003 . 2 . . . . A 9 LYS HD2 . 36074 1
50 . 1 1 9 9 LYS HD3 H 1 1.520 0.003 . 2 . . . . A 9 LYS HD3 . 36074 1
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