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 21002
_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-1H TOCSY' 1 $sample_1 isotropic 21002 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21002 1
3 '2D 1H-1H COSY' 1 $sample_1 isotropic 21002 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 ALA H H 1 6.81 0.1 . 1 . . . . 1 ALA H . 21002 1
2 . 1 1 1 1 ALA HA H 1 4.00 0.1 . 1 . . . . 1 ALA HA . 21002 1
3 . 1 1 1 1 ALA HB1 H 1 1.14 0.1 . 1 . . . . 1 ALA HB . 21002 1
4 . 1 1 1 1 ALA HB2 H 1 1.14 0.1 . 1 . . . . 1 ALA HB . 21002 1
5 . 1 1 1 1 ALA HB3 H 1 1.14 0.1 . 1 . . . . 1 ALA HB . 21002 1
6 . 1 1 2 2 TRP H H 1 8.08 0.1 . 1 . . . . 2 TRP H . 21002 1
7 . 1 1 2 2 TRP HA H 1 5.04 0.1 . 1 . . . . 2 TRP HA . 21002 1
8 . 1 1 2 2 TRP HB2 H 1 3.07 0.1 . 2 . . . . 2 TRP HB2 . 21002 1
9 . 1 1 2 2 TRP HB3 H 1 2.86 0.1 . 2 . . . . 2 TRP HB3 . 21002 1
10 . 1 1 2 2 TRP HD1 H 1 7.21 0.1 . 1 . . . . 2 TRP HD1 . 21002 1
11 . 1 1 2 2 TRP HE1 H 1 9.94 0.1 . 1 . . . . 2 TRP HE1 . 21002 1
12 . 1 1 2 2 TRP HE3 H 1 7.36 0.1 . 1 . . . . 2 TRP HE3 . 21002 1
13 . 1 1 2 2 TRP HZ3 H 1 7.15 0.1 . 1 . . . . 2 TRP HZ3 . 21002 1
14 . 1 1 2 2 TRP HH2 H 1 7.21 0.1 . 1 . . . . 2 TRP HH2 . 21002 1
15 . 1 1 3 3 ALA H H 1 9.64 0.1 . 1 . . . . 3 ALA H . 21002 1
16 . 1 1 3 3 ALA HA H 1 4.94 0.1 . 1 . . . . 3 ALA HA . 21002 1
17 . 1 1 3 3 ALA HB1 H 1 1.41 0.1 . 1 . . . . 3 ALA HB . 21002 1
18 . 1 1 3 3 ALA HB2 H 1 1.41 0.1 . 1 . . . . 3 ALA HB . 21002 1
19 . 1 1 3 3 ALA HB3 H 1 1.41 0.1 . 1 . . . . 3 ALA HB . 21002 1
20 . 1 1 4 4 TRP H H 1 8.82 0.1 . 1 . . . . 4 TRP H . 21002 1
21 . 1 1 4 4 TRP HA H 1 4.64 0.1 . 1 . . . . 4 TRP HA . 21002 1
22 . 1 1 4 4 TRP HB2 H 1 1.94 0.1 . 2 . . . . 4 TRP HB2 . 21002 1
23 . 1 1 4 4 TRP HB3 H 1 2.90 0.1 . 2 . . . . 4 TRP HB3 . 21002 1
24 . 1 1 4 4 TRP HD1 H 1 6.76 0.1 . 1 . . . . 4 TRP HD1 . 21002 1
25 . 1 1 4 4 TRP HE1 H 1 9.91 0.1 . 1 . . . . 4 TRP HE1 . 21002 1
26 . 1 1 4 4 TRP HE3 H 1 5.72 0.1 . 1 . . . . 4 TRP HE3 . 21002 1
27 . 1 1 4 4 TRP HZ2 H 1 7.20 0.1 . 1 . . . . 4 TRP HZ2 . 21002 1
28 . 1 1 4 4 TRP HZ3 H 1 6.47 0.1 . 1 . . . . 4 TRP HZ3 . 21002 1
29 . 1 1 4 4 TRP HH2 H 1 6.95 0.1 . 1 . . . . 4 TRP HH2 . 21002 1
30 . 1 1 5 5 GLU H H 1 8.77 0.1 . 1 . . . . 5 GLU H . 21002 1
31 . 1 1 5 5 GLU HA H 1 4.31 0.1 . 1 . . . . 5 GLU HA . 21002 1
32 . 1 1 5 5 GLU HB2 H 1 1.73 0.1 . 2 . . . . 5 GLU HB2 . 21002 1
33 . 1 1 5 5 GLU HB3 H 1 1.78 0.1 . 2 . . . . 5 GLU HB3 . 21002 1
34 . 1 1 5 5 GLU HG2 H 1 2.03 0.1 . 2 . . . . 5 GLU HG2 . 21002 1
35 . 1 1 5 5 GLU HG3 H 1 2.06 0.1 . 2 . . . . 5 GLU HG3 . 21002 1
36 . 1 1 6 6 AIB H H 1 8.89 0.1 . 1 . . . . 6 AIB H . 21002 1
37 . 1 1 6 6 AIB HB11 H 1 1.30 0.1 . 1 . . . . 6 AIB MB1 . 21002 1
38 . 1 1 6 6 AIB HB12 H 1 1.30 0.1 . 1 . . . . 6 AIB MB1 . 21002 1
39 . 1 1 6 6 AIB HB13 H 1 1.30 0.1 . 1 . . . . 6 AIB MB1 . 21002 1
40 . 1 1 6 6 AIB HB21 H 1 1.30 0.1 . 1 . . . . 6 AIB MB2 . 21002 1
41 . 1 1 6 6 AIB HB22 H 1 1.30 0.1 . 1 . . . . 6 AIB MB2 . 21002 1
42 . 1 1 6 6 AIB HB23 H 1 1.30 0.1 . 1 . . . . 6 AIB MB2 . 21002 1
43 . 1 1 7 7 GLY H H 1 7.47 0.1 . 1 . . . . 7 GLY H . 21002 1
44 . 1 1 7 7 GLY HA2 H 1 3.77 0.1 . 2 . . . . 7 GLY HA2 . 21002 1
45 . 1 1 7 7 GLY HA3 H 1 3.13 0.1 . 2 . . . . 7 GLY HA3 . 21002 1
46 . 1 1 8 8 LYS H H 1 7.02 0.1 . 1 . . . . 8 LYS H . 21002 1
47 . 1 1 8 8 LYS HA H 1 4.24 0.1 . 1 . . . . 8 LYS HA . 21002 1
48 . 1 1 8 8 LYS HB2 H 1 1.76 0.1 . 2 . . . . 8 LYS HB2 . 21002 1
49 . 1 1 8 8 LYS HB3 H 1 1.76 0.1 . 2 . . . . 8 LYS HB3 . 21002 1
50 . 1 1 8 8 LYS HG2 H 1 1.29 0.1 . 2 . . . . 8 LYS HG2 . 21002 1
51 . 1 1 8 8 LYS HG3 H 1 1.21 0.1 . 2 . . . . 8 LYS HG3 . 21002 1
52 . 1 1 8 8 LYS HD2 H 1 1.64 0.1 . 2 . . . . 8 LYS HD2 . 21002 1
53 . 1 1 8 8 LYS HD3 H 1 1.64 0.1 . 2 . . . . 8 LYS HD3 . 21002 1
54 . 1 1 8 8 LYS HE2 H 1 2.97 0.1 . 2 . . . . 8 LYS HE2 . 21002 1
55 . 1 1 8 8 LYS HE3 H 1 2.97 0.1 . 2 . . . . 8 LYS HE3 . 21002 1
56 . 1 1 9 9 TRP H H 1 8.22 0.1 . 1 . . . . 9 TRP H . 21002 1
57 . 1 1 9 9 TRP HA H 1 5.11 0.1 . 1 . . . . 9 TRP HA . 21002 1
58 . 1 1 9 9 TRP HB2 H 1 3.20 0.1 . 2 . . . . 9 TRP HB2 . 21002 1
59 . 1 1 9 9 TRP HB3 H 1 2.76 0.1 . 2 . . . . 9 TRP HB3 . 21002 1
60 . 1 1 9 9 TRP HD1 H 1 7.06 0.1 . 1 . . . . 9 TRP HD1 . 21002 1
61 . 1 1 9 9 TRP HE1 H 1 9.66 0.1 . 1 . . . . 9 TRP HE1 . 21002 1
62 . 1 1 9 9 TRP HZ2 H 1 7.11 0.1 . 1 . . . . 9 TRP HZ2 . 21002 1
63 . 1 1 9 9 TRP HZ3 H 1 7.22 0.1 . 1 . . . . 9 TRP HZ3 . 21002 1
64 . 1 1 9 9 TRP HH2 H 1 7.03 0.1 . 1 . . . . 9 TRP HH2 . 21002 1
65 . 1 1 10 10 ALA H H 1 9.81 0.1 . 1 . . . . 10 ALA H . 21002 1
66 . 1 1 10 10 ALA HA H 1 5.00 0.1 . 1 . . . . 10 ALA HA . 21002 1
67 . 1 1 10 10 ALA HB1 H 1 1.43 0.1 . 1 . . . . 10 ALA HB . 21002 1
68 . 1 1 10 10 ALA HB2 H 1 1.43 0.1 . 1 . . . . 10 ALA HB . 21002 1
69 . 1 1 10 10 ALA HB3 H 1 1.43 0.1 . 1 . . . . 10 ALA HB . 21002 1
70 . 1 1 11 11 TRP H H 1 8.85 0.1 . 1 . . . . 11 TRP H . 21002 1
71 . 1 1 11 11 TRP HA H 1 4.09 0.1 . 1 . . . . 11 TRP HA . 21002 1
72 . 1 1 11 11 TRP HB2 H 1 1.90 0.1 . 2 . . . . 11 TRP HB2 . 21002 1
73 . 1 1 11 11 TRP HB3 H 1 2.74 0.1 . 2 . . . . 11 TRP HB3 . 21002 1
74 . 1 1 11 11 TRP HD1 H 1 6.71 0.1 . 1 . . . . 11 TRP HD1 . 21002 1
75 . 1 1 11 11 TRP HE1 H 1 9.91 0.1 . 1 . . . . 11 TRP HE1 . 21002 1
76 . 1 1 11 11 TRP HE3 H 1 5.35 0.1 . 1 . . . . 11 TRP HE3 . 21002 1
77 . 1 1 11 11 TRP HZ2 H 1 7.21 0.1 . 1 . . . . 11 TRP HZ2 . 21002 1
78 . 1 1 11 11 TRP HZ3 H 1 6.45 0.1 . 1 . . . . 11 TRP HZ3 . 21002 1
79 . 1 1 11 11 TRP HH2 H 1 6.95 0.1 . 1 . . . . 11 TRP HH2 . 21002 1
80 . 1 1 12 12 LYS H H 1 8.13 0.1 . 1 . . . . 12 LYS H . 21002 1
81 . 1 1 12 12 LYS HA H 1 4.18 0.1 . 1 . . . . 12 LYS HA . 21002 1
82 . 1 1 12 12 LYS HB2 H 1 1.45 0.1 . 2 . . . . 12 LYS HB2 . 21002 1
83 . 1 1 12 12 LYS HB3 H 1 1.45 0.1 . 2 . . . . 12 LYS HB3 . 21002 1
84 . 1 1 12 12 LYS HG2 H 1 1.24 0.1 . 2 . . . . 12 LYS HG2 . 21002 1
85 . 1 1 12 12 LYS HG3 H 1 1.24 0.1 . 2 . . . . 12 LYS HG3 . 21002 1
86 . 1 1 12 12 LYS HD2 H 1 1.62 0.1 . 2 . . . . 12 LYS HD2 . 21002 1
87 . 1 1 12 12 LYS HD3 H 1 1.62 0.1 . 2 . . . . 12 LYS HD3 . 21002 1
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