Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 21032
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 21032 2
5 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21032 2
6 '2D 1H-13C HSQC long range' 1 $sample_1 isotropic 21032 2
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 6HH H21 H 1 2.341 0.005 . 1 . . . . 1 6HH H21 . 21032 2
2 . 1 1 1 1 6HH H22 H 1 2.341 0.005 . 1 . . . . 1 6HH H22 . 21032 2
3 . 1 1 1 1 6HH H31 H 1 1.597 0.005 . 1 . . . . 1 6HH H31 . 21032 2
4 . 1 1 1 1 6HH H32 H 1 1.597 0.005 . 1 . . . . 1 6HH H32 . 21032 2
5 . 1 1 1 1 6HH H41 H 1 1.336 0.005 . 1 . . . . 1 6HH H41 . 21032 2
6 . 1 1 1 1 6HH H42 H 1 1.336 0.005 . 1 . . . . 1 6HH H42 . 21032 2
7 . 1 1 1 1 6HH H51 H 1 1.563 0.005 . 1 . . . . 1 6HH H51 . 21032 2
8 . 1 1 1 1 6HH H52 H 1 1.563 0.005 . 1 . . . . 1 6HH H52 . 21032 2
9 . 1 1 1 1 6HH H61 H 1 3.882 0.005 . 2 . . . . 1 6HH H61 . 21032 2
10 . 1 1 1 1 6HH H62 H 1 3.572 0.005 . 2 . . . . 1 6HH H62 . 21032 2
11 . 1 1 1 1 6HH C2 C 13 37.393 0.050 . 1 . . . . 1 6HH C2 . 21032 2
12 . 1 1 1 1 6HH C3 C 13 27.039 0.050 . 1 . . . . 1 6HH C3 . 21032 2
13 . 1 1 1 1 6HH C4 C 13 27.487 0.050 . 1 . . . . 1 6HH C4 . 21032 2
14 . 1 1 1 1 6HH C5 C 13 31.020 0.050 . 1 . . . . 1 6HH C5 . 21032 2
15 . 1 1 1 1 6HH C6 C 13 73.099 0.050 . 1 . . . . 1 6HH C6 . 21032 2
16 . 1 1 2 2 NAG H1 H 1 4.498 0.005 . 1 . . . . 2 NAG H1 . 21032 2
17 . 1 1 2 2 NAG H2 H 1 3.882 0.005 . 1 . . . . 2 NAG H2 . 21032 2
18 . 1 1 2 2 NAG H3 H 1 3.851 0.005 . 1 . . . . 2 NAG H3 . 21032 2
19 . 1 1 2 2 NAG H4 H 1 3.881 0.005 . 1 . . . . 2 NAG H4 . 21032 2
20 . 1 1 2 2 NAG H5 H 1 3.500 0.005 . 1 . . . . 2 NAG H5 . 21032 2
21 . 1 1 2 2 NAG H61 H 1 3.746 0.005 . 2 . . . . 2 NAG H61 . 21032 2
22 . 1 1 2 2 NAG H62 H 1 3.926 0.005 . 2 . . . . 2 NAG H62 . 21032 2
23 . 1 1 2 2 NAG H81 H 1 2.022 0.005 . 1 . . . . 2 NAG H81 . 21032 2
24 . 1 1 2 2 NAG H82 H 1 2.022 0.005 . 1 . . . . 2 NAG H82 . 21032 2
25 . 1 1 2 2 NAG H83 H 1 2.022 0.005 . 1 . . . . 2 NAG H83 . 21032 2
26 . 1 1 2 2 NAG C1 C 13 103.638 0.050 . 1 . . . . 2 NAG C1 . 21032 2
27 . 1 1 2 2 NAG C2 C 13 58.420 0.050 . 1 . . . . 2 NAG C2 . 21032 2
28 . 1 1 2 2 NAG C3 C 13 77.647 0.050 . 1 . . . . 2 NAG C3 . 21032 2
29 . 1 1 2 2 NAG C4 C 13 76.474 0.050 . 1 . . . . 2 NAG C4 . 21032 2
30 . 1 1 2 2 NAG C5 C 13 78.160 0.050 . 1 . . . . 2 NAG C5 . 21032 2
31 . 1 1 2 2 NAG C6 C 13 62.821 0.050 . 1 . . . . 2 NAG C6 . 21032 2
32 . 1 1 2 2 NAG C7 C 13 176.857 0.050 . 1 . . . . 2 NAG C7 . 21032 2
33 . 1 1 2 2 NAG C8 C 13 25.014 0.050 . 1 . . . . 2 NAG C8 . 21032 2
34 . 1 1 3 3 NAG H1 H 1 4.526 0.005 . 1 . . . . 3 NAG H1 . 21032 2
35 . 1 1 3 3 NAG H2 H 1 3.730 0.005 . 1 . . . . 3 NAG H2 . 21032 2
36 . 1 1 3 3 NAG H3 H 1 3.553 0.005 . 1 . . . . 3 NAG H3 . 21032 2
37 . 1 1 3 3 NAG H4 H 1 3.256 0.005 . 1 . . . . 3 NAG H4 . 21032 2
38 . 1 1 3 3 NAG H5 H 1 3.430 0.005 . 1 . . . . 3 NAG H5 . 21032 2
39 . 1 1 3 3 NAG H61 H 1 3.959 0.005 . 2 . . . . 3 NAG H61 . 21032 2
40 . 1 1 3 3 NAG H62 H 1 3.622 0.005 . 2 . . . . 3 NAG H62 . 21032 2
41 . 1 1 3 3 NAG H81 H 1 2.053 0.005 . 1 . . . . 3 NAG H81 . 21032 2
42 . 1 1 3 3 NAG H82 H 1 2.053 0.005 . 1 . . . . 3 NAG H82 . 21032 2
43 . 1 1 3 3 NAG H83 H 1 2.053 0.005 . 1 . . . . 3 NAG H83 . 21032 2
44 . 1 1 3 3 NAG C1 C 13 103.152 0.050 . 1 . . . . 3 NAG C1 . 21032 2
45 . 1 1 3 3 NAG C2 C 13 58.569 0.050 . 1 . . . . 3 NAG C2 . 21032 2
46 . 1 1 3 3 NAG C3 C 13 76.418 0.050 . 1 . . . . 3 NAG C3 . 21032 2
47 . 1 1 3 3 NAG C4 C 13 73.520 0.050 . 1 . . . . 3 NAG C4 . 21032 2
48 . 1 1 3 3 NAG C5 C 13 78.691 0.050 . 1 . . . . 3 NAG C5 . 21032 2
49 . 1 1 3 3 NAG C6 C 13 64.371 0.050 . 1 . . . . 3 NAG C6 . 21032 2
50 . 1 1 3 3 NAG C7 C 13 177.291 0.050 . 1 . . . . 3 NAG C7 . 21032 2
51 . 1 1 3 3 NAG C8 C 13 24.888 0.050 . 1 . . . . 3 NAG C8 . 21032 2
52 . 1 1 4 4 FUC H1 H 1 5.124 0.005 . 1 . . . . 4 FUC H1 . 21032 2
53 . 1 1 4 4 FUC H2 H 1 3.711 0.005 . 1 . . . . 4 FUC H2 . 21032 2
54 . 1 1 4 4 FUC H3 H 1 3.949 0.005 . 1 . . . . 4 FUC H3 . 21032 2
55 . 1 1 4 4 FUC H4 H 1 3.807 0.005 . 1 . . . . 4 FUC H4 . 21032 2
56 . 1 1 4 4 FUC H5 H 1 4.737 0.005 . 1 . . . . 4 FUC H5 . 21032 2
57 . 1 1 4 4 FUC H61 H 1 1.270 0.005 . 1 . . . . 4 FUC H61 . 21032 2
58 . 1 1 4 4 FUC H62 H 1 1.270 0.005 . 1 . . . . 4 FUC H62 . 21032 2
59 . 1 1 4 4 FUC H63 H 1 1.270 0.005 . 1 . . . . 4 FUC H63 . 21032 2
60 . 1 1 4 4 FUC C1 C 13 101.192 0.050 . 1 . . . . 4 FUC C1 . 21032 2
61 . 1 1 4 4 FUC C2 C 13 70.527 0.050 . 1 . . . . 4 FUC C2 . 21032 2
62 . 1 1 4 4 FUC C3 C 13 72.006 0.050 . 1 . . . . 4 FUC C3 . 21032 2
63 . 1 1 4 4 FUC C4 C 13 74.802 0.050 . 1 . . . . 4 FUC C4 . 21032 2
64 . 1 1 4 4 FUC C5 C 13 69.415 0.050 . 1 . . . . 4 FUC C5 . 21032 2
65 . 1 1 4 4 FUC C6 C 13 18.246 0.050 . 1 . . . . 4 FUC C6 . 21032 2
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save_