Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 20122
_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 0.02
_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 DQF-COSY' . . . 20122 1
2 '2D 1H-1H TOCSY' . . . 20122 1
3 '2D 1H-1H NOESY' . . . 20122 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 $TOPSPIN . . 20122 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_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 PRO HA H 1 4.280 0.020 . 1 . . . . 1 PRO HA . 20122 1
2 . 1 1 1 1 PRO HB2 H 1 1.888 0.020 . 2 . . . . 1 PRO HB2 . 20122 1
3 . 1 1 1 1 PRO HB3 H 1 2.270 0.020 . 2 . . . . 1 PRO HB3 . 20122 1
4 . 1 1 1 1 PRO HD2 H 1 3.247 0.020 . 2 . . . . 1 PRO HD2 . 20122 1
5 . 1 1 1 1 PRO HD3 H 1 3.296 0.020 . 2 . . . . 1 PRO HD3 . 20122 1
6 . 1 1 1 1 PRO HG2 H 1 1.856 0.020 . 2 . . . . 1 PRO HG2 . 20122 1
7 . 1 1 1 1 PRO HG3 H 1 1.903 0.020 . 2 . . . . 1 PRO HG3 . 20122 1
8 . 1 1 2 2 PHE H H 1 8.603 0.020 . 1 . . . . 2 PHE H . 20122 1
9 . 1 1 2 2 PHE HA H 1 4.651 0.020 . 1 . . . . 2 PHE HA . 20122 1
10 . 1 1 2 2 PHE HB2 H 1 2.874 0.020 . 2 . . . . 2 PHE HB2 . 20122 1
11 . 1 1 2 2 PHE HB3 H 1 2.962 0.020 . 2 . . . . 2 PHE HB3 . 20122 1
12 . 1 1 2 2 PHE HD1 H 1 7.086 0.020 . 1 . . . . 2 PHE HD1 . 20122 1
13 . 1 1 2 2 PHE HD2 H 1 7.086 0.020 . 1 . . . . 2 PHE HD2 . 20122 1
14 . 1 1 2 2 PHE HE1 H 1 7.195 0.020 . 1 . . . . 2 PHE HE1 . 20122 1
15 . 1 1 2 2 PHE HE2 H 1 7.195 0.020 . 1 . . . . 2 PHE HE2 . 20122 1
16 . 1 1 3 3 CYS H H 1 8.427 0.020 . 1 . . . . 3 CYS H . 20122 1
17 . 1 1 3 3 CYS HA H 1 5.015 0.020 . 1 . . . . 3 CYS HA . 20122 1
18 . 1 1 3 3 CYS HB2 H 1 2.894 0.020 . 1 . . . . 3 CYS HB2 . 20122 1
19 . 1 1 3 3 CYS HB3 H 1 2.894 0.020 . 1 . . . . 3 CYS HB3 . 20122 1
20 . 1 1 4 4 ASN H H 1 8.808 0.020 . 1 . . . . 4 ASN H . 20122 1
21 . 1 1 4 4 ASN HA H 1 4.495 0.020 . 1 . . . . 4 ASN HA . 20122 1
22 . 1 1 4 4 ASN HB2 H 1 2.615 0.020 . 2 . . . . 4 ASN HB2 . 20122 1
23 . 1 1 4 4 ASN HB3 H 1 2.933 0.020 . 2 . . . . 4 ASN HB3 . 20122 1
24 . 1 1 4 4 ASN HD21 H 1 7.006 0.020 . 2 . . . . 4 ASN HD21 . 20122 1
25 . 1 1 4 4 ASN HD22 H 1 7.677 0.020 . 2 . . . . 4 ASN HD22 . 20122 1
26 . 1 1 5 5 SER H H 1 7.975 0.020 . 1 . . . . 5 SER H . 20122 1
27 . 1 1 5 5 SER HA H 1 4.124 0.020 . 1 . . . . 5 SER HA . 20122 1
28 . 1 1 5 5 SER HB2 H 1 3.538 0.020 . 2 . . . . 5 SER HB2 . 20122 1
29 . 1 1 5 5 SER HB3 H 1 3.586 0.020 . 2 . . . . 5 SER HB3 . 20122 1
30 . 1 1 6 6 PHE H H 1 8.202 0.020 . 1 . . . . 6 PHE H . 20122 1
31 . 1 1 6 6 PHE HA H 1 4.412 0.020 . 1 . . . . 6 PHE HA . 20122 1
32 . 1 1 6 6 PHE HB2 H 1 3.127 0.020 . 2 . . . . 6 PHE HB2 . 20122 1
33 . 1 1 6 6 PHE HB3 H 1 3.008 0.020 . 2 . . . . 6 PHE HB3 . 20122 1
34 . 1 1 6 6 PHE HD1 H 1 7.138 0.020 . 1 . . . . 6 PHE HD1 . 20122 1
35 . 1 1 6 6 PHE HD2 H 1 7.138 0.020 . 1 . . . . 6 PHE HD2 . 20122 1
36 . 1 1 6 6 PHE HE1 H 1 7.232 0.020 . 1 . . . . 6 PHE HE1 . 20122 1
37 . 1 1 6 6 PHE HE2 H 1 7.232 0.020 . 1 . . . . 6 PHE HE2 . 20122 1
38 . 1 1 7 7 GLY H H 1 7.919 0.020 . 1 . . . . 7 GLY H . 20122 1
39 . 1 1 7 7 GLY HA2 H 1 3.650 0.020 . 2 . . . . 7 GLY HA2 . 20122 1
40 . 1 1 7 7 GLY HA3 H 1 4.045 0.020 . 2 . . . . 7 GLY HA3 . 20122 1
41 . 1 1 8 8 CYS H H 1 7.922 0.020 . 1 . . . . 8 CYS H . 20122 1
42 . 1 1 8 8 CYS HA H 1 4.866 0.020 . 1 . . . . 8 CYS HA . 20122 1
43 . 1 1 8 8 CYS HB2 H 1 2.776 0.020 . 1 . . . . 8 CYS HB2 . 20122 1
44 . 1 1 8 8 CYS HB3 H 1 2.776 0.020 . 1 . . . . 8 CYS HB3 . 20122 1
45 . 1 1 9 9 TYR H H 1 8.444 0.020 . 1 . . . . 9 TYR H . 20122 1
46 . 1 1 9 9 TYR HA H 1 4.495 0.020 . 1 . . . . 9 TYR HA . 20122 1
47 . 1 1 9 9 TYR HB2 H 1 2.615 0.020 . 2 . . . . 9 TYR HB2 . 20122 1
48 . 1 1 9 9 TYR HB3 H 1 2.928 0.020 . 2 . . . . 9 TYR HB3 . 20122 1
49 . 1 1 9 9 TYR HD1 H 1 6.640 0.020 . 1 . . . . 9 TYR HD1 . 20122 1
50 . 1 1 9 9 TYR HD2 H 1 6.897 0.020 . 1 . . . . 9 TYR HD2 . 20122 1
51 . 1 1 9 9 TYR HE1 H 1 6.638 0.020 . 1 . . . . 9 TYR HE1 . 20122 1
52 . 1 1 10 10 ASN H H 1 8.441 0.020 . 1 . . . . 10 ASN H . 20122 1
53 . 1 1 10 10 ASN HA H 1 4.486 0.020 . 1 . . . . 10 ASN HA . 20122 1
54 . 1 1 10 10 ASN HB2 H 1 2.664 0.020 . 2 . . . . 10 ASN HB2 . 20122 1
55 . 1 1 10 10 ASN HB3 H 1 2.559 0.020 . 2 . . . . 10 ASN HB3 . 20122 1
56 . 1 1 10 10 ASN HD21 H 1 6.786 0.020 . 2 . . . . 10 ASN HD21 . 20122 1
57 . 1 1 10 10 ASN HD22 H 1 7.448 0.020 . 2 . . . . 10 ASN HD22 . 20122 1
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