Content for NMR-STAR saveframe, "chem_shift_set_1"
save_chem_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_set_1
_Assigned_chem_shift_list.Entry_ID 4483
_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_one
_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 DQF-COSY 1 $sample_1 . 4483 1
2 E.COSY 1 $sample_1 . 4483 1
3 ROESY 1 $sample_1 . 4483 1
4 TOCSY 1 $sample_1 . 4483 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 ACE H1 H 1 2.05 0.01 . 2 . . . . . . . . 4483 1
2 . 1 1 1 1 ACE H2 H 1 2.05 0.01 . 2 . . . . . . . . 4483 1
3 . 1 1 1 1 ACE H3 H 1 2.05 0.01 . 2 . . . . . . . . 4483 1
4 . 1 1 2 2 ILE H H 1 8.24 0.01 . 1 . . . . . . . . 4483 1
5 . 1 1 2 2 ILE HA H 1 4.04 0.01 . 1 . . . . . . . . 4483 1
6 . 1 1 2 2 ILE HB H 1 1.74 0.01 . 1 . . . . . . . . 4483 1
7 . 1 1 2 2 ILE HG12 H 1 1.17 0.01 . 1 . . . . . . . . 4483 1
8 . 1 1 2 2 ILE HG13 H 1 1.42 0.01 . 1 . . . . . . . . 4483 1
9 . 1 1 2 2 ILE HG21 H 1 0.77 0.01 . 1 . . . . . . . . 4483 1
10 . 1 1 2 2 ILE HG22 H 1 0.77 0.01 . 1 . . . . . . . . 4483 1
11 . 1 1 2 2 ILE HG23 H 1 0.77 0.01 . 1 . . . . . . . . 4483 1
12 . 1 1 2 2 ILE HD11 H 1 0.85 0.01 . 1 . . . . . . . . 4483 1
13 . 1 1 2 2 ILE HD12 H 1 0.85 0.01 . 1 . . . . . . . . 4483 1
14 . 1 1 2 2 ILE HD13 H 1 0.85 0.01 . 1 . . . . . . . . 4483 1
15 . 1 1 3 3 ASP H H 1 8.53 0.01 . 1 . . . . . . . . 4483 1
16 . 1 1 3 3 ASP HA H 1 4.52 0.01 . 1 . . . . . . . . 4483 1
17 . 1 1 3 3 ASP HB2 H 1 2.58 0.01 . 1 . . . . . . . . 4483 1
18 . 1 1 3 3 ASP HB3 H 1 2.68 0.01 . 1 . . . . . . . . 4483 1
19 . 1 1 4 4 TYR H H 1 8.18 0.01 . 1 . . . . . . . . 4483 1
20 . 1 1 4 4 TYR HA H 1 4.24 0.01 . 1 . . . . . . . . 4483 1
21 . 1 1 4 4 TYR HB2 H 1 2.83 0.01 . 1 . . . . . . . . 4483 1
22 . 1 1 4 4 TYR HB3 H 1 2.95 0.01 . 1 . . . . . . . . 4483 1
23 . 1 1 4 4 TYR HD1 H 1 6.83 0.01 . 1 . . . . . . . . 4483 1
24 . 1 1 4 4 TYR HD2 H 1 6.83 0.01 . 1 . . . . . . . . 4483 1
25 . 1 1 4 4 TYR HE1 H 1 6.60 0.01 . 1 . . . . . . . . 4483 1
26 . 1 1 4 4 TYR HE2 H 1 6.60 0.01 . 1 . . . . . . . . 4483 1
27 . 1 1 5 5 TRP H H 1 7.89 0.01 . 1 . . . . . . . . 4483 1
28 . 1 1 5 5 TRP HA H 1 4.53 0.01 . 1 . . . . . . . . 4483 1
29 . 1 1 5 5 TRP HB2 H 1 3.30 0.01 . 1 . . . . . . . . 4483 1
30 . 1 1 5 5 TRP HB3 H 1 3.56 0.01 . 1 . . . . . . . . 4483 1
31 . 1 1 5 5 TRP HD1 H 1 7.26 0.01 . 1 . . . . . . . . 4483 1
32 . 1 1 5 5 TRP HE1 H 1 10.30 0.01 . 1 . . . . . . . . 4483 1
33 . 1 1 5 5 TRP HE3 H 1 7.48 0.01 . 1 . . . . . . . . 4483 1
34 . 1 1 5 5 TRP HZ2 H 1 7.47 0.01 . 1 . . . . . . . . 4483 1
35 . 1 1 5 5 TRP HZ3 H 1 7.15 0.01 . 1 . . . . . . . . 4483 1
36 . 1 1 5 5 TRP HH2 H 1 7.24 0.01 . 1 . . . . . . . . 4483 1
37 . 1 1 6 6 LEU H H 1 7.65 0.01 . 1 . . . . . . . . 4483 1
38 . 1 1 6 6 LEU HA H 1 4.13 0.01 . 1 . . . . . . . . 4483 1
39 . 1 1 6 6 LEU HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4483 1
40 . 1 1 6 6 LEU HB3 H 1 1.56 0.01 . 1 . . . . . . . . 4483 1
41 . 1 1 6 6 LEU HG H 1 1.45 0.01 . 1 . . . . . . . . 4483 1
42 . 1 1 6 6 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 4483 1
43 . 1 1 6 6 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 4483 1
44 . 1 1 6 6 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 4483 1
45 . 1 1 6 6 LEU HD21 H 1 0.91 0.01 . 2 . . . . . . . . 4483 1
46 . 1 1 6 6 LEU HD22 H 1 0.91 0.01 . 2 . . . . . . . . 4483 1
47 . 1 1 6 6 LEU HD23 H 1 0.91 0.01 . 2 . . . . . . . . 4483 1
48 . 1 1 7 7 ALA H H 1 7.84 0.01 . 1 . . . . . . . . 4483 1
49 . 1 1 7 7 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 4483 1
50 . 1 1 7 7 ALA HB1 H 1 1.27 0.01 . 1 . . . . . . . . 4483 1
51 . 1 1 7 7 ALA HB2 H 1 1.27 0.01 . 1 . . . . . . . . 4483 1
52 . 1 1 7 7 ALA HB3 H 1 1.27 0.01 . 1 . . . . . . . . 4483 1
53 . 1 1 8 8 HIS H H 1 8.11 0.01 . 1 . . . . . . . . 4483 1
54 . 1 1 8 8 HIS HA H 1 4.56 0.01 . 1 . . . . . . . . 4483 1
55 . 1 1 8 8 HIS HB2 H 1 2.94 0.01 . 1 . . . . . . . . 4483 1
56 . 1 1 8 8 HIS HB3 H 1 3.22 0.01 . 1 . . . . . . . . 4483 1
57 . 1 1 8 8 HIS HD2 H 1 7.13 0.01 . 1 . . . . . . . . 4483 1
58 . 1 1 8 8 HIS HE1 H 1 8.50 0.01 . 1 . . . . . . . . 4483 1
59 . 1 1 9 9 LYS H H 1 8.20 0.01 . 1 . . . . . . . . 4483 1
60 . 1 1 9 9 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 4483 1
61 . 1 1 9 9 LYS HB2 H 1 1.70 0.01 . 1 . . . . . . . . 4483 1
62 . 1 1 9 9 LYS HB3 H 1 1.74 0.01 . 1 . . . . . . . . 4483 1
63 . 1 1 9 9 LYS HG2 H 1 1.35 0.01 . 1 . . . . . . . . 4483 1
64 . 1 1 9 9 LYS HG3 H 1 1.35 0.01 . 1 . . . . . . . . 4483 1
65 . 1 1 9 9 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 4483 1
66 . 1 1 9 9 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 4483 1
67 . 1 1 9 9 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 4483 1
68 . 1 1 9 9 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 4483 1
69 . 1 1 9 9 LYS HZ1 H 1 7.58 0.01 . 2 . . . . . . . . 4483 1
70 . 1 1 9 9 LYS HZ2 H 1 7.58 0.01 . 2 . . . . . . . . 4483 1
71 . 1 1 9 9 LYS HZ3 H 1 7.58 0.01 . 2 . . . . . . . . 4483 1
72 . 1 1 10 10 ALA H H 1 8.39 0.01 . 1 . . . . . . . . 4483 1
73 . 1 1 10 10 ALA HA H 1 4.27 0.01 . 1 . . . . . . . . 4483 1
74 . 1 1 10 10 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4483 1
75 . 1 1 10 10 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4483 1
76 . 1 1 10 10 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4483 1
77 . 1 1 11 11 LEU H H 1 8.26 0.01 . 1 . . . . . . . . 4483 1
78 . 1 1 11 11 LEU HA H 1 4.31 0.01 . 1 . . . . . . . . 4483 1
79 . 1 1 11 11 LEU HB2 H 1 1.56 0.01 . 1 . . . . . . . . 4483 1
80 . 1 1 11 11 LEU HB3 H 1 1.66 0.01 . 1 . . . . . . . . 4483 1
81 . 1 1 11 11 LEU HG H 1 1.60 0.01 . 1 . . . . . . . . 4483 1
82 . 1 1 11 11 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 4483 1
83 . 1 1 11 11 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 4483 1
84 . 1 1 11 11 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 4483 1
85 . 1 1 11 11 LEU HD21 H 1 0.93 0.01 . 2 . . . . . . . . 4483 1
86 . 1 1 11 11 LEU HD22 H 1 0.93 0.01 . 2 . . . . . . . . 4483 1
87 . 1 1 11 11 LEU HD23 H 1 0.93 0.01 . 2 . . . . . . . . 4483 1
88 . 1 1 12 12 ALA H H 1 8.27 0.01 . 1 . . . . . . . . 4483 1
89 . 1 1 12 12 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 4483 1
90 . 1 1 12 12 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 4483 1
91 . 1 1 12 12 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 4483 1
92 . 1 1 12 12 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4483 1
93 . 1 1 13 13 NH2 HN1 H 1 7.10 0.01 . 1 . . . . . . . . 4483 1
94 . 1 1 13 13 NH2 HN2 H 1 7.54 0.01 . 1 . . . . . . . . 4483 1
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save_