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 21054
_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 .
_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-13C HSQC' 1 $sample_1 isotropic 21054 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21054 1
3 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 21054 1
4 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21054 1
5 '2D 1H-1H NOESY' 2 $sample_2 isotropic 21054 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 SP H11 H 1 3.594 0.005 . 2 . . . . 0 SP H11 . 21054 1
2 . 1 1 1 1 SP H12 H 1 3.503 0.005 . 2 . . . . 0 SP H12 . 21054 1
3 . 1 1 1 1 SP H2 H 1 4.231 0.005 . 1 . . . . 0 SP H2 . 21054 1
4 . 1 1 1 1 SP H3 H 1 5.764 0.005 . 4 . . . . 0 SP H3 . 21054 1
5 . 1 1 1 1 SP H4 H 1 5.762 0.009 . 4 . . . . 0 SP H4 . 21054 1
6 . 1 1 1 1 SP H5 H 1 4.321 0.009 . 1 . . . . 0 SP H5 . 21054 1
7 . 1 1 1 1 SP H61 H 1 3.892 0.005 . 2 . . . . 0 SP H61 . 21054 1
8 . 1 1 1 1 SP H62 H 1 3.500 0.005 . 2 . . . . 0 SP H62 . 21054 1
9 . 1 1 1 1 SP C1 C 13 67.505 0.050 . 1 . . . . 0 SP C1 . 21054 1
10 . 1 1 1 1 SP C2 C 13 74.651 0.050 . 1 . . . . 0 SP C2 . 21054 1
11 . 1 1 1 1 SP C3 C 13 133.696 0.050 . 4 . . . . 0 SP C3 . 21054 1
12 . 1 1 1 1 SP C4 C 13 133.696 0.050 . 4 . . . . 0 SP C4 . 21054 1
13 . 1 1 1 1 SP C5 C 13 73.154 0.050 . 1 . . . . 0 SP C5 . 21054 1
14 . 1 1 1 1 SP C6 C 13 75.978 0.050 . 1 . . . . 0 SP C6 . 21054 1
15 . 1 1 2 2 MAG H1 H 1 4.443 0.005 . 1 . . . . 1 MAG H1 . 21054 1
16 . 1 1 2 2 MAG H2 H 1 3.849 0.005 . 1 . . . . 1 MAG H2 . 21054 1
17 . 1 1 2 2 MAG H3 H 1 3.974 0.005 . 1 . . . . 1 MAG H3 . 21054 1
18 . 1 1 2 2 MAG H4 H 1 3.728 0.005 . 1 . . . . 1 MAG H4 . 21054 1
19 . 1 1 2 2 MAG H5 H 1 3.501 0.005 . 1 . . . . 1 MAG H5 . 21054 1
20 . 1 1 2 2 MAG H61 H 1 3.956 0.005 . 2 . . . . 1 MAG H61 . 21054 1
21 . 1 1 2 2 MAG H62 H 1 3.865 0.005 . 2 . . . . 1 MAG H62 . 21054 1
22 . 1 1 2 2 MAG H81 H 1 2.081 0.005 . 1 . . . . 1 MAG H81 . 21054 1
23 . 1 1 2 2 MAG H82 H 1 2.081 0.005 . 1 . . . . 1 MAG H82 . 21054 1
24 . 1 1 2 2 MAG H83 H 1 2.081 0.005 . 1 . . . . 1 MAG H83 . 21054 1
25 . 1 1 2 2 MAG HN2 H 1 8.498 0.005 . 1 . . . . 1 MAG HN2 . 21054 1
26 . 1 1 2 2 MAG C1 C 13 104.535 0.050 . 1 . . . . 1 MAG C1 . 21054 1
27 . 1 1 2 2 MAG C2 C 13 58.332 0.050 . 1 . . . . 1 MAG C2 . 21054 1
28 . 1 1 2 2 MAG C3 C 13 78.768 0.050 . 1 . . . . 1 MAG C3 . 21054 1
29 . 1 1 2 2 MAG C4 C 13 74.956 0.070 . 1 . . . . 1 MAG C4 . 21054 1
30 . 1 1 2 2 MAG C5 C 13 77.917 0.050 . 1 . . . . 1 MAG C5 . 21054 1
31 . 1 1 2 2 MAG C6 C 13 62.223 0.050 . 1 . . . . 1 MAG C6 . 21054 1
32 . 1 1 2 2 MAG C7 C 13 176.835 0.050 . 1 . . . . 1 MAG C7 . 21054 1
33 . 1 1 2 2 MAG C8 C 13 25.026 0.050 . 1 . . . . 1 MAG C8 . 21054 1
34 . 1 1 3 3 NAG H1 H 1 4.621 0.005 . 1 . . . . 2 NAG H1 . 21054 1
35 . 1 1 3 3 NAG H2 H 1 3.629 0.005 . 1 . . . . 2 NAG H2 . 21054 1
36 . 1 1 3 3 NAG H3 H 1 3.587 0.005 . 1 . . . . 2 NAG H3 . 21054 1
37 . 1 1 3 3 NAG H4 H 1 3.188 0.005 . 1 . . . . 2 NAG H4 . 21054 1
38 . 1 1 3 3 NAG H5 H 1 3.386 0.005 . 1 . . . . 2 NAG H5 . 21054 1
39 . 1 1 3 3 NAG H61 H 1 3.974 0.005 . 2 . . . . 2 NAG H61 . 21054 1
40 . 1 1 3 3 NAG H62 H 1 3.572 0.005 . 2 . . . . 2 NAG H62 . 21054 1
41 . 1 1 3 3 NAG H81 H 1 1.990 0.005 . 1 . . . . 2 NAG H81 . 21054 1
42 . 1 1 3 3 NAG H82 H 1 1.990 0.005 . 1 . . . . 2 NAG H82 . 21054 1
43 . 1 1 3 3 NAG H83 H 1 1.990 0.005 . 1 . . . . 2 NAG H83 . 21054 1
44 . 1 1 3 3 NAG HN2 H 1 8.095 0.005 . 1 . . . . 2 NAG HN2 . 21054 1
45 . 1 1 3 3 NAG C1 C 13 103.939 0.050 . 1 . . . . 2 NAG C1 . 21054 1
46 . 1 1 3 3 NAG C2 C 13 58.685 0.050 . 1 . . . . 2 NAG C2 . 21054 1
47 . 1 1 3 3 NAG C3 C 13 75.671 0.050 . 1 . . . . 2 NAG C3 . 21054 1
48 . 1 1 3 3 NAG C4 C 13 73.383 0.050 . 1 . . . . 2 NAG C4 . 21054 1
49 . 1 1 3 3 NAG C5 C 13 78.485 0.050 . 1 . . . . 2 NAG C5 . 21054 1
50 . 1 1 3 3 NAG C6 C 13 64.384 0.050 . 1 . . . . 2 NAG C6 . 21054 1
51 . 1 1 3 3 NAG C7 C 13 177.393 0.050 . 1 . . . . 2 NAG C7 . 21054 1
52 . 1 1 3 3 NAG C8 C 13 25.020 0.050 . 1 . . . . 2 NAG C8 . 21054 1
53 . 1 1 4 4 FUC H1 H 1 5.022 0.005 . 1 . . . . 3 FUC H1 . 21054 1
54 . 1 1 4 4 FUC H2 H 1 3.795 0.005 . 1 . . . . 3 FUC H2 . 21054 1
55 . 1 1 4 4 FUC H3 H 1 3.916 0.005 . 1 . . . . 3 FUC H3 . 21054 1
56 . 1 1 4 4 FUC H4 H 1 3.796 0.005 . 1 . . . . 3 FUC H4 . 21054 1
57 . 1 1 4 4 FUC H5 H 1 4.853 0.005 . 1 . . . . 3 FUC H5 . 21054 1
58 . 1 1 4 4 FUC H61 H 1 1.274 0.005 . 1 . . . . 3 FUC H61 . 21054 1
59 . 1 1 4 4 FUC H62 H 1 1.274 0.005 . 1 . . . . 3 FUC H62 . 21054 1
60 . 1 1 4 4 FUC H63 H 1 1.274 0.005 . 1 . . . . 3 FUC H63 . 21054 1
61 . 1 1 4 4 FUC C1 C 13 100.791 0.050 . 1 . . . . 3 FUC C1 . 21054 1
62 . 1 1 4 4 FUC C2 C 13 70.356 0.050 . 1 . . . . 3 FUC C2 . 21054 1
63 . 1 1 4 4 FUC C3 C 13 71.714 0.050 . 1 . . . . 3 FUC C3 . 21054 1
64 . 1 1 4 4 FUC C4 C 13 74.705 0.050 . 1 . . . . 3 FUC C4 . 21054 1
65 . 1 1 4 4 FUC C5 C 13 69.434 0.050 . 1 . . . . 3 FUC C5 . 21054 1
66 . 1 1 4 4 FUC C6 C 13 18.250 0.050 . 1 . . . . 3 FUC C6 . 21054 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 4 21054 1
1 5 21054 1
2 11 21054 1
2 12 21054 1
stop_
save_