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 5111
_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 '2D NOESY' 1 $sample_1 . 5111 1
2 DQF-COSY 1 $sample_1 . 5111 1
3 TOCSY 1 $sample_1 . 5111 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 2 2 ILE H H 1 7.84 . . . . . . . . . . . 5111 1
2 . 1 1 2 2 ILE HA H 1 4.12 . . . . . . . . . . . 5111 1
3 . 1 1 2 2 ILE HB H 1 1.64 . . . . . . . . . . . 5111 1
4 . 1 1 2 2 ILE HG12 H 1 1.32 . . . . . . . . . . . 5111 1
5 . 1 1 2 2 ILE HG13 H 1 1.32 . . . . . . . . . . . 5111 1
6 . 1 1 2 2 ILE HG21 H 1 1.00 . . . . . . . . . . . 5111 1
7 . 1 1 2 2 ILE HG22 H 1 1.00 . . . . . . . . . . . 5111 1
8 . 1 1 2 2 ILE HG23 H 1 1.00 . . . . . . . . . . . 5111 1
9 . 1 1 2 2 ILE HD11 H 1 0.73 . . . . . . . . . . . 5111 1
10 . 1 1 2 2 ILE HD12 H 1 0.73 . . . . . . . . . . . 5111 1
11 . 1 1 2 2 ILE HD13 H 1 0.73 . . . . . . . . . . . 5111 1
12 . 1 1 3 3 TRP H H 1 8.01 . . . . . . . . . . . 5111 1
13 . 1 1 3 3 TRP HA H 1 4.52 . . . . . . . . . . . 5111 1
14 . 1 1 3 3 TRP HB2 H 1 2.97 . . . . . . . . . . . 5111 1
15 . 1 1 3 3 TRP HB3 H 1 3.12 . . . . . . . . . . . 5111 1
16 . 1 1 3 3 TRP HD1 H 1 7.14 . . . . . . . . . . . 5111 1
17 . 1 1 3 3 TRP HE3 H 1 7.55 . . . . . . . . . . . 5111 1
18 . 1 1 3 3 TRP HZ2 H 1 6.95 . . . . . . . . . . . 5111 1
19 . 1 1 3 3 TRP HZ3 H 1 7.04 . . . . . . . . . . . 5111 1
20 . 1 1 3 3 TRP HH2 H 1 7.30 . . . . . . . . . . . 5111 1
21 . 1 1 4 4 GLY H H 1 8.17 . . . . . . . . . . . 5111 1
22 . 1 1 4 4 GLY HA2 H 1 3.70 . . . . . . . . . . . 5111 1
23 . 1 1 4 4 GLY HA3 H 1 3.78 . . . . . . . . . . . 5111 1
24 . 1 1 5 5 CYS H H 1 8.11 . . . . . . . . . . . 5111 1
25 . 1 1 5 5 CYS HA H 1 4.55 . . . . . . . . . . . 5111 1
26 . 1 1 5 5 CYS HB2 H 1 2.82 . . . . . . . . . . . 5111 1
27 . 1 1 5 5 CYS HB3 H 1 3.18 . . . . . . . . . . . 5111 1
28 . 1 1 6 6 BSE H H 1 7.99 . . . . . . . . . . . 5111 1
29 . 1 1 6 6 BSE HA H 1 4.05 . . . . . . . . . . . 5111 1
30 . 1 1 6 6 BSE HB2 H 1 3.34 . . . . . . . . . . . 5111 1
31 . 1 1 6 6 BSE HB3 H 1 3.42 . . . . . . . . . . . 5111 1
32 . 1 1 6 6 BSE HG2 H 1 2.46 . . . . . . . . . . . 5111 1
33 . 1 1 6 6 BSE HG3 H 1 2.39 . . . . . . . . . . . 5111 1
34 . 1 1 6 6 BSE HD H 1 4.83 . . . . . . . . . . . 5111 1
35 . 1 1 7 7 GLY H H 1 8.18 . . . . . . . . . . . 5111 1
36 . 1 1 7 7 GLY HA2 H 1 3.70 . . . . . . . . . . . 5111 1
37 . 1 1 7 7 GLY HA3 H 1 3.70 . . . . . . . . . . . 5111 1
38 . 1 1 8 8 LYS H H 1 7.99 . . . . . . . . . . . 5111 1
39 . 1 1 8 8 LYS HA H 1 4.07 . . . . . . . . . . . 5111 1
40 . 1 1 8 8 LYS HB2 H 1 1.77 . . . . . . . . . . . 5111 1
41 . 1 1 8 8 LYS HB3 H 1 1.77 . . . . . . . . . . . 5111 1
42 . 1 1 8 8 LYS HG2 H 1 1.53 . . . . . . . . . . . 5111 1
43 . 1 1 8 8 LYS HG3 H 1 1.53 . . . . . . . . . . . 5111 1
44 . 1 1 8 8 LYS HD2 H 1 1.32 . . . . . . . . . . . 5111 1
45 . 1 1 8 8 LYS HD3 H 1 1.32 . . . . . . . . . . . 5111 1
46 . 1 1 8 8 LYS HE2 H 1 2.78 . . . . . . . . . . . 5111 1
47 . 1 1 8 8 LYS HE3 H 1 2.78 . . . . . . . . . . . 5111 1
48 . 1 1 8 8 LYS HZ1 H 1 7.63 . . . . . . . . . . . 5111 1
49 . 1 1 8 8 LYS HZ2 H 1 7.63 . . . . . . . . . . . 5111 1
50 . 1 1 8 8 LYS HZ3 H 1 7.63 . . . . . . . . . . . 5111 1
51 . 1 1 9 9 LEU H H 1 7.88 . . . . . . . . . . . 5111 1
52 . 1 1 9 9 LEU HA H 1 4.22 . . . . . . . . . . . 5111 1
53 . 1 1 9 9 LEU HB2 H 1 1.48 . . . . . . . . . . . 5111 1
54 . 1 1 9 9 LEU HB3 H 1 1.58 . . . . . . . . . . . 5111 1
55 . 1 1 9 9 LEU HD11 H 1 0.82 . . . . . . . . . . . 5111 1
56 . 1 1 9 9 LEU HD12 H 1 0.82 . . . . . . . . . . . 5111 1
57 . 1 1 9 9 LEU HD13 H 1 0.82 . . . . . . . . . . . 5111 1
58 . 1 1 9 9 LEU HD21 H 1 0.89 . . . . . . . . . . . 5111 1
59 . 1 1 9 9 LEU HD22 H 1 0.89 . . . . . . . . . . . 5111 1
60 . 1 1 9 9 LEU HD23 H 1 0.89 . . . . . . . . . . . 5111 1
61 . 1 1 10 10 ILE H H 1 7.47 . . . . . . . . . . . 5111 1
62 . 1 1 10 10 ILE HA H 1 4.17 . . . . . . . . . . . 5111 1
63 . 1 1 10 10 ILE HB H 1 1.74 . . . . . . . . . . . 5111 1
64 . 1 1 10 10 ILE HG12 H 1 1.43 . . . . . . . . . . . 5111 1
65 . 1 1 10 10 ILE HG13 H 1 1.43 . . . . . . . . . . . 5111 1
66 . 1 1 10 10 ILE HG21 H 1 1.04 . . . . . . . . . . . 5111 1
67 . 1 1 10 10 ILE HG22 H 1 1.04 . . . . . . . . . . . 5111 1
68 . 1 1 10 10 ILE HG23 H 1 1.04 . . . . . . . . . . . 5111 1
69 . 1 1 10 10 ILE HD11 H 1 0.79 . . . . . . . . . . . 5111 1
70 . 1 1 10 10 ILE HD12 H 1 0.79 . . . . . . . . . . . 5111 1
71 . 1 1 10 10 ILE HD13 H 1 0.79 . . . . . . . . . . . 5111 1
72 . 1 1 11 11 CYS H H 1 8.43 . . . . . . . . . . . 5111 1
73 . 1 1 11 11 CYS HA H 1 4.68 . . . . . . . . . . . 5111 1
74 . 1 1 11 11 CYS HB2 H 1 2.92 . . . . . . . . . . . 5111 1
75 . 1 1 11 11 CYS HB3 H 1 3.13 . . . . . . . . . . . 5111 1
76 . 1 1 12 12 THR H H 1 7.74 . . . . . . . . . . . 5111 1
77 . 1 1 12 12 THR HA H 1 4.44 . . . . . . . . . . . 5111 1
78 . 1 1 12 12 THR HB H 1 4.00 . . . . . . . . . . . 5111 1
79 . 1 1 12 12 THR HG1 H 1 5.26 . . . . . . . . . . . 5111 1
80 . 1 1 12 12 THR HG21 H 1 1.03 . . . . . . . . . . . 5111 1
81 . 1 1 12 12 THR HG22 H 1 1.03 . . . . . . . . . . . 5111 1
82 . 1 1 12 12 THR HG23 H 1 1.03 . . . . . . . . . . . 5111 1
83 . 1 1 13 13 THR H H 1 7.76 . . . . . . . . . . . 5111 1
84 . 1 1 13 13 THR HA H 1 4.21 . . . . . . . . . . . 5111 1
85 . 1 1 13 13 THR HB H 1 4.04 . . . . . . . . . . . 5111 1
86 . 1 1 13 13 THR HG1 H 1 4.83 . . . . . . . . . . . 5111 1
87 . 1 1 13 13 THR HG21 H 1 1.05 . . . . . . . . . . . 5111 1
88 . 1 1 13 13 THR HG22 H 1 1.05 . . . . . . . . . . . 5111 1
89 . 1 1 13 13 THR HG23 H 1 1.05 . . . . . . . . . . . 5111 1
90 . 1 1 14 14 ALA H H 1 8.01 . . . . . . . . . . . 5111 1
91 . 1 1 14 14 ALA HA H 1 4.18 . . . . . . . . . . . 5111 1
92 . 1 1 14 14 ALA HB1 H 1 1.26 . . . . . . . . . . . 5111 1
93 . 1 1 14 14 ALA HB2 H 1 1.26 . . . . . . . . . . . 5111 1
94 . 1 1 14 14 ALA HB3 H 1 1.26 . . . . . . . . . . . 5111 1
stop_
save_