Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6246
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 6246 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 TRP H H 1 8.10 . . 1 . . . . . . . . 6246 1
2 . 1 1 1 1 TRP HA H 1 4.63 . . 1 . . . . . . . . 6246 1
3 . 1 1 1 1 TRP HB2 H 1 3.27 . . 1 . . . . . . . . 6246 1
4 . 1 1 1 1 TRP HB3 H 1 3.17 . . 1 . . . . . . . . 6246 1
5 . 1 1 1 1 TRP HD1 H 1 7.28 . . 3 . . . . . . . . 6246 1
6 . 1 1 1 1 TRP HE1 H 1 10.18 . . 3 . . . . . . . . 6246 1
7 . 1 1 1 1 TRP HE3 H 1 7.63 . . 3 . . . . . . . . 6246 1
8 . 1 1 1 1 TRP HZ2 H 1 7.45 . . 3 . . . . . . . . 6246 1
9 . 1 1 1 1 TRP HZ3 H 1 7.07 . . 3 . . . . . . . . 6246 1
10 . 1 1 1 1 TRP HH2 H 1 7.17 . . 3 . . . . . . . . 6246 1
11 . 1 1 2 2 ASN H H 1 8.36 . . 1 . . . . . . . . 6246 1
12 . 1 1 2 2 ASN HA H 1 4.53 . . 1 . . . . . . . . 6246 1
13 . 1 1 2 2 ASN HB2 H 1 2.54 . . 1 . . . . . . . . 6246 1
14 . 1 1 2 2 ASN HB3 H 1 2.44 . . 1 . . . . . . . . 6246 1
15 . 1 1 2 2 ASN HD21 H 1 7.41 . . 1 . . . . . . . . 6246 1
16 . 1 1 2 2 ASN HD22 H 1 6.77 . . 1 . . . . . . . . 6246 1
17 . 1 1 3 3 DAS H H 1 8.28 . . 1 . . . . . . . . 6246 1
18 . 1 1 3 3 DAS HA H 1 4.66 . . 1 . . . . . . . . 6246 1
19 . 1 1 3 3 DAS HB2 H 1 2.74 . . 1 . . . . . . . . 6246 1
20 . 1 1 3 3 DAS HB3 H 1 2.61 . . 1 . . . . . . . . 6246 1
21 . 1 1 4 4 THR H H 1 8.18 . . 1 . . . . . . . . 6246 1
22 . 1 1 4 4 THR HA H 1 4.69 . . 1 . . . . . . . . 6246 1
23 . 1 1 4 4 THR HB H 1 5.51 . . 1 . . . . . . . . 6246 1
24 . 1 1 4 4 THR HG21 H 1 1.17 . . 1 . . . . . . . . 6246 1
25 . 1 1 4 4 THR HG22 H 1 1.17 . . 1 . . . . . . . . 6246 1
26 . 1 1 4 4 THR HG23 H 1 1.17 . . 1 . . . . . . . . 6246 1
27 . 1 1 5 5 GLY H H 1 8.34 . . 1 . . . . . . . . 6246 1
28 . 1 1 5 5 GLY HA2 H 1 4.02 . . 1 . . . . . . . . 6246 1
29 . 1 1 5 5 GLY HA3 H 1 4.02 . . 1 . . . . . . . . 6246 1
30 . 1 1 6 6 ORN H H 1 8.38 . . 1 . . . . . . . . 6246 1
31 . 1 1 6 6 ORN HA H 1 4.39 . . 1 . . . . . . . . 6246 1
32 . 1 1 6 6 ORN HB2 H 1 1.90 . . 1 . . . . . . . . 6246 1
33 . 1 1 6 6 ORN HB3 H 1 1.79 . . 1 . . . . . . . . 6246 1
34 . 1 1 6 6 ORN HG2 H 1 1.70 . . 2 . . . . . . . . 6246 1
35 . 1 1 6 6 ORN HG3 H 1 1.70 . . 2 . . . . . . . . 6246 1
36 . 1 1 6 6 ORN HD H 1 3.00 . . 1 . . . . . . . . 6246 1
37 . 1 1 7 7 ASP H H 1 8.39 . . 1 . . . . . . . . 6246 1
38 . 1 1 7 7 ASP HA H 1 4.49 . . 1 . . . . . . . . 6246 1
39 . 1 1 7 7 ASP HB2 H 1 2.58 . . 1 . . . . . . . . 6246 1
40 . 1 1 7 7 ASP HB3 H 1 2.43 . . 1 . . . . . . . . 6246 1
41 . 1 1 8 8 DAL H H 1 8.28 . . 1 . . . . . . . . 6246 1
42 . 1 1 8 8 DAL HA H 1 4.34 . . 1 . . . . . . . . 6246 1
43 . 1 1 8 8 DAL HB H 1 1.36 . . 1 . . . . . . . . 6246 1
44 . 1 1 9 9 ASP H H 1 8.49 . . 1 . . . . . . . . 6246 1
45 . 1 1 9 9 ASP HA H 1 4.63 . . 1 . . . . . . . . 6246 1
46 . 1 1 9 9 ASP HB2 H 1 2.74 . . 1 . . . . . . . . 6246 1
47 . 1 1 9 9 ASP HB3 H 1 2.67 . . 1 . . . . . . . . 6246 1
48 . 1 1 10 10 GLY H H 1 8.38 . . 1 . . . . . . . . 6246 1
49 . 1 1 10 10 GLY HA2 H 1 4.01 . . 1 . . . . . . . . 6246 1
50 . 1 1 10 10 GLY HA3 H 1 4.01 . . 1 . . . . . . . . 6246 1
51 . 1 1 11 11 DSN H H 1 8.21 . . 1 . . . . . . . . 6246 1
52 . 1 1 11 11 DSN HA H 1 4.58 . . 1 . . . . . . . . 6246 1
53 . 1 1 11 11 DSN HB2 H 1 3.89 . . 1 . . . . . . . . 6246 1
54 . 1 1 11 11 DSN HB3 H 1 3.89 . . 1 . . . . . . . . 6246 1
55 . 1 1 12 12 MEG H H 1 8.33 . . 1 . . . . . . . . 6246 1
56 . 1 1 12 12 MEG HA H 1 4.51 . . 1 . . . . . . . . 6246 1
57 . 1 1 12 12 MEG HB2 H 1 2.43 . . 2 . . . . . . . . 6246 1
58 . 1 1 12 12 MEG HB3 H 1 2.43 . . 2 . . . . . . . . 6246 1
59 . 1 1 12 12 MEG HG12 H 1 2.33 . . 1 . . . . . . . . 6246 1
60 . 1 1 12 12 MEG HG13 H 1 2.05 . . 1 . . . . . . . . 6246 1
61 . 1 1 12 12 MEG HG22 H 1 0.93 . . 2 . . . . . . . . 6246 1
62 . 1 1 12 12 MEG HG23 H 1 0.93 . . 2 . . . . . . . . 6246 1
63 . 1 1 13 13 KYN H H 1 8.45 . . 1 . . . . . . . . 6246 1
64 . 1 1 13 13 KYN HA H 1 4.75 . . 1 . . . . . . . . 6246 1
65 . 1 1 13 13 KYN HB2 H 1 3.45 . . 1 . . . . . . . . 6246 1
66 . 1 1 13 13 KYN HB3 H 1 3.13 . . 1 . . . . . . . . 6246 1
67 . 1 1 13 13 KYN HE1 H 1 7.38 . . 1 . . . . . . . . 6246 1
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