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 6426
_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 . 6426 1
2 '2D NOESY' 1 $sample_1 . 6426 1
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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 CYS H H 1 6.382 0.000 . . . . . . . . . . . 6426 1
2 . 1 1 1 1 CYS HA H 1 4.390 0.001 . . . . . . . . . . . 6426 1
3 . 1 1 1 1 CYS HB2 H 1 3.060 0.000 . . . . . . . . . . . 6426 1
4 . 1 1 1 1 CYS HB3 H 1 2.786 0.000 . . . . . . . . . . . 6426 1
5 . 1 1 2 2 LYS H H 1 8.340 0.000 . . . . . . . . . . . 6426 1
6 . 1 1 2 2 LYS HA H 1 4.164 0.000 . . . . . . . . . . . 6426 1
7 . 1 1 2 2 LYS HB2 H 1 1.485 0.003 . . . . . . . . . . . 6426 1
8 . 1 1 2 2 LYS HG2 H 1 1.223 0.000 . . . . . . . . . . . 6426 1
9 . 1 1 2 2 LYS HD2 H 1 1.488 0.000 . . . . . . . . . . . 6426 1
10 . 1 1 2 2 LYS HD3 H 1 1.413 0.007 . . . . . . . . . . . 6426 1
11 . 1 1 2 2 LYS HE2 H 1 2.701 0.004 . . . . . . . . . . . 6426 1
12 . 1 1 3 3 PHE H H 1 7.955 0.000 . . . . . . . . . . . 6426 1
13 . 1 1 3 3 PHE HA H 1 4.522 0.002 . . . . . . . . . . . 6426 1
14 . 1 1 3 3 PHE HB2 H 1 2.954 0.000 . . . . . . . . . . . 6426 1
15 . 1 1 3 3 PHE HB3 H 1 2.754 0.000 . . . . . . . . . . . 6426 1
16 . 1 1 3 3 PHE HD1 H 1 7.173 0.002 . . . . . . . . . . . 6426 1
17 . 1 1 3 3 PHE HE1 H 1 7.133 0.001 . . . . . . . . . . . 6426 1
18 . 1 1 4 4 ALA H H 1 7.915 0.002 . . . . . . . . . . . 6426 1
19 . 1 1 4 4 ALA HA H 1 4.248 0.002 . . . . . . . . . . . 6426 1
20 . 1 1 4 4 ALA HB1 H 1 0.950 0.003 . . . . . . . . . . . 6426 1
21 . 1 1 4 4 ALA HB2 H 1 0.950 0.003 . . . . . . . . . . . 6426 1
22 . 1 1 4 4 ALA HB3 H 1 0.950 0.003 . . . . . . . . . . . 6426 1
23 . 1 1 5 5 DTR H H 1 8.145 0.002 . . . . . . . . . . . 6426 1
24 . 1 1 5 5 DTR HA H 1 4.440 0.001 . . . . . . . . . . . 6426 1
25 . 1 1 5 5 DTR HB2 H 1 2.800 0.000 . . . . . . . . . . . 6426 1
26 . 1 1 5 5 DTR HB3 H 1 2.702 0.000 . . . . . . . . . . . 6426 1
27 . 1 1 5 5 DTR HD1 H 1 7.042 0.006 . . . . . . . . . . . 6426 1
28 . 1 1 5 5 DTR HE1 H 1 10.762 0.001 . . . . . . . . . . . 6426 1
29 . 1 1 5 5 DTR HZ3 H 1 6.976 0.003 . . . . . . . . . . . 6426 1
30 . 1 1 5 5 DTR HZ2 H 1 7.307 0.001 . . . . . . . . . . . 6426 1
31 . 1 1 5 5 DTR HH2 H 1 7.062 0.001 . . . . . . . . . . . 6426 1
32 . 1 1 5 5 DTR HE3 H 1 7.556 0.003 . . . . . . . . . . . 6426 1
33 . 1 1 6 6 IAM H H 1 8.500 0.001 . . . . . . . . . . . 6426 1
34 . 1 1 6 6 IAM HA H 1 4.556 0.000 . . . . . . . . . . . 6426 1
35 . 1 1 6 6 IAM HB2 H 1 3.070 0.001 . . . . . . . . . . . 6426 1
36 . 1 1 6 6 IAM HB3 H 1 2.808 0.003 . . . . . . . . . . . 6426 1
37 . 1 1 6 6 IAM HD1 H 1 7.343 0.003 . . . . . . . . . . . 6426 1
38 . 1 1 6 6 IAM HE1 H 1 7.329 0.001 . . . . . . . . . . . 6426 1
39 . 1 1 6 6 IAM HT H 1 4.032 0.002 . . . . . . . . . . . 6426 1
40 . 1 1 6 6 IAM HH H 1 8.600 0.001 . . . . . . . . . . . 6426 1
41 . 1 1 6 6 IAM HI H 1 3.149 0.004 . . . . . . . . . . . 6426 1
42 . 1 1 6 6 IAM HK H 1 1.137 0.006 . . . . . . . . . . . 6426 1
43 . 1 1 7 7 THR H H 1 7.748 0.006 . . . . . . . . . . . 6426 1
44 . 1 1 7 7 THR HA H 1 4.246 0.000 . . . . . . . . . . . 6426 1
45 . 1 1 7 7 THR HG21 H 1 0.932 0.000 . . . . . . . . . . . 6426 1
46 . 1 1 7 7 THR HG22 H 1 0.932 0.000 . . . . . . . . . . . 6426 1
47 . 1 1 7 7 THR HG23 H 1 0.932 0.000 . . . . . . . . . . . 6426 1
48 . 1 1 7 7 THR HG1 H 1 4.928 0.007 . . . . . . . . . . . 6426 1
49 . 1 1 7 7 THR HB H 1 3.939 0.001 . . . . . . . . . . . 6426 1
50 . 1 1 8 8 IYR H H 1 8.128 0.002 . . . . . . . . . . . 6426 1
51 . 1 1 8 8 IYR HA H 1 4.531 0.001 . . . . . . . . . . . 6426 1
52 . 1 1 8 8 IYR HB2 H 1 2.948 0.000 . . . . . . . . . . . 6426 1
53 . 1 1 8 8 IYR HB3 H 1 2.703 0.000 . . . . . . . . . . . 6426 1
54 . 1 1 8 8 IYR HD1 H 1 7.560 0.003 . . . . . . . . . . . 6426 1
55 . 1 1 8 8 IYR HE1 H 1 6.744 0.001 . . . . . . . . . . . 6426 1
56 . 1 1 8 8 IYR HD2 H 1 7.055 0.000 . . . . . . . . . . . 6426 1
57 . 1 1 8 8 IYR HH H 1 10.062 0.001 . . . . . . . . . . . 6426 1
58 . 1 1 9 9 THR H H 1 7.845 0.000 . . . . . . . . . . . 6426 1
59 . 1 1 9 9 THR HA H 1 4.335 0.002 . . . . . . . . . . . 6426 1
60 . 1 1 9 9 THR HB H 1 4.030 0.000 . . . . . . . . . . . 6426 1
61 . 1 1 9 9 THR HG21 H 1 1.006 0.006 . . . . . . . . . . . 6426 1
62 . 1 1 9 9 THR HG22 H 1 1.006 0.006 . . . . . . . . . . . 6426 1
63 . 1 1 9 9 THR HG23 H 1 1.006 0.006 . . . . . . . . . . . 6426 1
64 . 1 1 9 9 THR HG1 H 1 5.102 0.006 . . . . . . . . . . . 6426 1
65 . 1 1 10 10 SER H H 1 7.877 0.000 . . . . . . . . . . . 6426 1
66 . 1 1 10 10 SER HA H 1 4.302 0.000 . . . . . . . . . . . 6426 1
67 . 1 1 10 10 SER HB2 H 1 3.645 0.000 . . . . . . . . . . . 6426 1
68 . 1 1 10 10 SER HB3 H 1 3.563 0.000 . . . . . . . . . . . 6426 1
69 . 1 1 11 11 CYS H H 1 7.957 0.001 . . . . . . . . . . . 6426 1
70 . 1 1 11 11 CYS HA H 1 4.386 0.000 . . . . . . . . . . . 6426 1
71 . 1 1 11 11 CYS HB2 H 1 3.155 0.006 . . . . . . . . . . . 6426 1
72 . 1 1 11 11 CYS HB3 H 1 3.053 0.004 . . . . . . . . . . . 6426 1
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