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 6424
_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 DQF-COSY 1 $sample_1 . 6424 1
2 '2D NOESY' 1 $sample_1 . 6424 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.Ambiguity_set_ID
_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 TYR HD1 H 1 7.016 0.000 . . . . . . . . . . . 6424 1
2 . 1 1 1 1 TYR HE1 H 1 6.656 0.000 . . . . . . . . . . . 6424 1
3 . 1 1 1 1 TYR HB2 H 1 3.068 0.002 . . . . . . . . . . . 6424 1
4 . 1 1 1 1 TYR HB3 H 1 2.718 0.003 . . . . . . . . . . . 6424 1
5 . 1 1 1 1 TYR HA H 1 3.990 0.000 . . . . . . . . . . . 6424 1
6 . 1 1 2 2 CYS HA H 1 4.611 0.001 . . . . . . . . . . . 6424 1
7 . 1 1 2 2 CYS HB2 H 1 3.156 0.000 . . . . . . . . . . . 6424 1
8 . 1 1 2 2 CYS HB3 H 1 2.883 0.000 . . . . . . . . . . . 6424 1
9 . 1 1 3 3 LYS H H 1 8.245 0.001 . . . . . . . . . . . 6424 1
10 . 1 1 3 3 LYS HA H 1 4.256 0.000 . . . . . . . . . . . 6424 1
11 . 1 1 3 3 LYS HB2 H 1 1.551 0.000 . . . . . . . . . . . 6424 1
12 . 1 1 3 3 LYS HD2 H 1 1.518 0.000 . . . . . . . . . . . 6424 1
13 . 1 1 3 3 LYS HG2 H 1 1.298 0.000 . . . . . . . . . . . 6424 1
14 . 1 1 3 3 LYS HE2 H 1 2.735 0.001 . . . . . . . . . . . 6424 1
15 . 1 1 4 4 PHE H H 1 8.246 0.011 . . . . . . . . . . . 6424 1
16 . 1 1 4 4 PHE HA H 1 4.525 0.011 . . . . . . . . . . . 6424 1
17 . 1 1 4 4 PHE HB2 H 1 2.901 0.000 . . . . . . . . . . . 6424 1
18 . 1 1 4 4 PHE HB3 H 1 2.800 0.011 . . . . . . . . . . . 6424 1
19 . 1 1 4 4 PHE HD1 H 1 7.157 0.010 . . . . . . . . . . . 6424 1
20 . 1 1 5 5 GLU H H 1 8.049 0.011 . . . . . . . . . . . 6424 1
21 . 1 1 5 5 GLU HA H 1 4.130 0.011 . . . . . . . . . . . 6424 1
22 . 1 1 5 5 GLU HB2 H 1 1.601 0.000 . . . . . . . . . . . 6424 1
23 . 1 1 5 5 GLU HG2 H 1 1.881 0.002 . . . . . . . . . . . 6424 1
24 . 1 1 6 6 DTR H H 1 7.948 0.011 . . . . . . . . . . . 6424 1
25 . 1 1 6 6 DTR HA H 1 4.376 0.011 . . . . . . . . . . . 6424 1
26 . 1 1 6 6 DTR HB2 H 1 2.743 0.000 . . . . . . . . . . . 6424 1
27 . 1 1 6 6 DTR HD1 H 1 6.962 0.008 . . . . . . . . . . . 6424 1
28 . 1 1 6 6 DTR HE3 H 1 7.509 0.000 . . . . . . . . . . . 6424 1
29 . 1 1 6 6 DTR HE1 H 1 10.771 0.000 . . . . . . . . . . . 6424 1
30 . 1 1 6 6 DTR HZ3 H 1 6.993 0.000 . . . . . . . . . . . 6424 1
31 . 1 1 6 6 DTR HZ2 H 1 7.306 0.004 . . . . . . . . . . . 6424 1
32 . 1 1 6 6 DTR HH2 H 1 7.039 0.010 . . . . . . . . . . . 6424 1
33 . 1 1 7 7 IAM HA H 1 4.419 0.000 . . . . . . . . . . . 6424 1
34 . 1 1 7 7 IAM HB2 H 1 2.623 0.012 . . . . . . . . . . . 6424 1
35 . 1 1 7 7 IAM HB3 H 1 3.060 0.011 . . . . . . . . . . . 6424 1
36 . 1 1 7 7 IAM HD1 H 1 7.248 0.006 . . . . . . . . . . . 6424 1
37 . 1 1 7 7 IAM HE1 H 1 7.301 0.000 . . . . . . . . . . . 6424 1
38 . 1 1 7 7 IAM HT H 1 4.024 0.000 . . . . . . . . . . . 6424 1
39 . 1 1 7 7 IAM HH H 1 8.557 0.010 . . . . . . . . . . . 6424 1
40 . 1 1 7 7 IAM HK H 1 1.156 0.010 . . . . . . . . . . . 6424 1
41 . 1 1 7 7 IAM HI H 1 3.163 0.001 . . . . . . . . . . . 6424 1
42 . 1 1 7 7 IAM H H 1 8.638 0.002 . . . . . . . . . . . 6424 1
43 . 1 1 8 8 THR H H 1 7.562 0.000 . . . . . . . . . . . 6424 1
44 . 1 1 8 8 THR HA H 1 4.270 0.000 . . . . . . . . . . . 6424 1
45 . 1 1 8 8 THR HB H 1 3.874 0.002 . . . . . . . . . . . 6424 1
46 . 1 1 8 8 THR HG21 H 1 0.933 0.000 . . . . . . . . . . . 6424 1
47 . 1 1 8 8 THR HG22 H 1 0.933 0.000 . . . . . . . . . . . 6424 1
48 . 1 1 8 8 THR HG23 H 1 0.933 0.000 . . . . . . . . . . . 6424 1
49 . 1 1 8 8 THR HG1 H 1 4.974 0.007 . . . . . . . . . . . 6424 1
50 . 1 1 9 9 PHE H H 1 8.148 0.011 . . . . . . . . . . . 6424 1
51 . 1 1 9 9 PHE HA H 1 4.692 0.011 . . . . . . . . . . . 6424 1
52 . 1 1 9 9 PHE HB2 H 1 2.922 0.011 . . . . . . . . . . . 6424 1
53 . 1 1 9 9 PHE HB3 H 1 2.727 0.011 . . . . . . . . . . . 6424 1
54 . 1 1 9 9 PHE HD1 H 1 7.157 0.011 . . . . . . . . . . . 6424 1
55 . 1 1 10 10 LYS HA H 1 4.400 0.012 . . . . . . . . . . . 6424 1
56 . 1 1 10 10 LYS HB2 H 1 1.591 0.000 . . . . . . . . . . . 6424 1
57 . 1 1 10 10 LYS HG2 H 1 1.200 0.000 . . . . . . . . . . . 6424 1
58 . 1 1 10 10 LYS HD2 H 1 1.326 0.011 . . . . . . . . . . . 6424 1
59 . 1 1 10 10 LYS HE2 H 1 2.999 0.011 . . . . . . . . . . . 6424 1
60 . 1 1 10 10 LYS HZ1 H 1 7.355 0.011 . . . . . . . . . . . 6424 1
61 . 1 1 10 10 LYS HZ2 H 1 7.355 0.011 . . . . . . . . . . . 6424 1
62 . 1 1 10 10 LYS HZ3 H 1 7.355 0.011 . . . . . . . . . . . 6424 1
63 . 1 1 10 10 LYS H H 1 7.922 0.010 . . . . . . . . . . . 6424 1
64 . 1 1 11 11 SER H H 1 8.227 0.011 . . . . . . . . . . . 6424 1
65 . 1 1 11 11 SER HA H 1 4.284 0.000 . . . . . . . . . . . 6424 1
66 . 1 1 11 11 SER HB2 H 1 3.612 0.000 . . . . . . . . . . . 6424 1
67 . 1 1 12 12 CYS H H 1 8.165 0.001 . . . . . . . . . . . 6424 1
68 . 1 1 12 12 CYS HA H 1 4.273 0.003 . . . . . . . . . . . 6424 1
69 . 1 1 12 12 CYS HB2 H 1 2.748 0.000 . . . . . . . . . . . 6424 1
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