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 6421
_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 . 6421 1
2 '2D NOESY' 1 $sample_1 . 6421 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 CYS H H 1 6.402 0.000 . . . . . . . . . . . 6421 1
2 . 1 1 1 1 CYS HA H 1 4.377 0.003 . . . . . . . . . . . 6421 1
3 . 1 1 1 1 CYS HB2 H 1 3.030 0.000 . . . . . . . . . . . 6421 1
4 . 1 1 1 1 CYS HB3 H 1 2.709 0.000 . . . . . . . . . . . 6421 1
5 . 1 1 2 2 LYS H H 1 8.384 0.006 . . . . . . . . . . . 6421 1
6 . 1 1 2 2 LYS HA H 1 4.144 0.001 . . . . . . . . . . . 6421 1
7 . 1 1 2 2 LYS HB2 H 1 1.447 0.001 . . . . . . . . . . . 6421 1
8 . 1 1 2 2 LYS HG3 H 1 1.213 0.000 . . . . . . . . . . . 6421 1
9 . 1 1 2 2 LYS HD2 H 1 1.481 0.000 . . . . . . . . . . . 6421 1
10 . 1 1 2 2 LYS HD3 H 1 1.397 0.000 . . . . . . . . . . . 6421 1
11 . 1 1 2 2 LYS HE2 H 1 2.692 0.000 . . . . . . . . . . . 6421 1
12 . 1 1 2 2 LYS HZ1 H 1 7.115 0.002 . . . . . . . . . . . 6421 1
13 . 1 1 2 2 LYS HZ2 H 1 7.115 0.002 . . . . . . . . . . . 6421 1
14 . 1 1 2 2 LYS HZ3 H 1 7.115 0.002 . . . . . . . . . . . 6421 1
15 . 1 1 3 3 PHE H H 1 7.993 0.000 . . . . . . . . . . . 6421 1
16 . 1 1 3 3 PHE HA H 1 4.434 0.000 . . . . . . . . . . . 6421 1
17 . 1 1 3 3 PHE HB2 H 1 2.858 0.000 . . . . . . . . . . . 6421 1
18 . 1 1 3 3 PHE HB3 H 1 2.730 0.001 . . . . . . . . . . . 6421 1
19 . 1 1 3 3 PHE HD1 H 1 7.114 0.000 . . . . . . . . . . . 6421 1
20 . 1 1 3 3 PHE HE1 H 1 7.156 0.002 . . . . . . . . . . . 6421 1
21 . 1 1 3 3 PHE HZ H 1 7.101 0.000 . . . . . . . . . . . 6421 1
22 . 1 1 4 4 PHE H H 1 7.819 0.003 . . . . . . . . . . . 6421 1
23 . 1 1 4 4 PHE HA H 1 4.533 0.009 . . . . . . . . . . . 6421 1
24 . 1 1 4 4 PHE HB2 H 1 2.718 0.006 . . . . . . . . . . . 6421 1
25 . 1 1 4 4 PHE HB3 H 1 2.505 0.000 . . . . . . . . . . . 6421 1
26 . 1 1 4 4 PHE HD1 H 1 6.828 0.002 . . . . . . . . . . . 6421 1
27 . 1 1 4 4 PHE HE1 H 1 6.984 0.001 . . . . . . . . . . . 6421 1
28 . 1 1 4 4 PHE HZ H 1 7.056 0.000 . . . . . . . . . . . 6421 1
29 . 1 1 5 5 DTR H H 1 8.357 0.001 . . . . . . . . . . . 6421 1
30 . 1 1 5 5 DTR HA H 1 4.470 0.001 . . . . . . . . . . . 6421 1
31 . 1 1 5 5 DTR HB2 H 1 2.801 0.002 . . . . . . . . . . . 6421 1
32 . 1 1 5 5 DTR HB3 H 1 2.701 0.000 . . . . . . . . . . . 6421 1
33 . 1 1 5 5 DTR HD1 H 1 7.060 0.010 . . . . . . . . . . . 6421 1
34 . 1 1 5 5 DTR HE3 H 1 7.610 0.002 . . . . . . . . . . . 6421 1
35 . 1 1 5 5 DTR HZ2 H 1 7.302 0.005 . . . . . . . . . . . 6421 1
36 . 1 1 5 5 DTR HZ3 H 1 6.988 0.000 . . . . . . . . . . . 6421 1
37 . 1 1 5 5 DTR HH2 H 1 7.044 0.001 . . . . . . . . . . . 6421 1
38 . 1 1 5 5 DTR HE1 H 1 10.758 0.003 . . . . . . . . . . . 6421 1
39 . 1 1 6 6 IAM H H 1 8.428 0.000 . . . . . . . . . . . 6421 1
40 . 1 1 6 6 IAM HA H 1 4.576 0.000 . . . . . . . . . . . 6421 1
41 . 1 1 6 6 IAM HB2 H 1 3.040 0.000 . . . . . . . . . . . 6421 1
42 . 1 1 6 6 IAM HB3 H 1 2.816 0.000 . . . . . . . . . . . 6421 1
43 . 1 1 6 6 IAM HD1 H 1 7.340 0.000 . . . . . . . . . . . 6421 1
44 . 1 1 6 6 IAM HE1 H 1 7.316 0.001 . . . . . . . . . . . 6421 1
45 . 1 1 6 6 IAM 1HK1 H 1 1.133 0.006 . . . . . . . . . . . 6421 1
46 . 1 1 6 6 IAM HI H 1 3.136 0.004 . . . . . . . . . . . 6421 1
47 . 1 1 6 6 IAM 1HT H 1 4.012 0.003 . . . . . . . . . . . 6421 1
48 . 1 1 7 7 THR H H 1 7.808 0.002 . . . . . . . . . . . 6421 1
49 . 1 1 7 7 THR HA H 1 4.240 0.001 . . . . . . . . . . . 6421 1
50 . 1 1 7 7 THR HB H 1 3.929 0.003 . . . . . . . . . . . 6421 1
51 . 1 1 7 7 THR HG21 H 1 0.902 0.000 . . . . . . . . . . . 6421 1
52 . 1 1 7 7 THR HG22 H 1 0.902 0.000 . . . . . . . . . . . 6421 1
53 . 1 1 7 7 THR HG23 H 1 0.902 0.000 . . . . . . . . . . . 6421 1
54 . 1 1 8 8 IYR H H 1 8.118 0.002 . . . . . . . . . . . 6421 1
55 . 1 1 8 8 IYR HA H 1 4.514 0.000 . . . . . . . . . . . 6421 1
56 . 1 1 8 8 IYR HB2 H 1 2.956 0.000 . . . . . . . . . . . 6421 1
57 . 1 1 8 8 IYR HB3 H 1 2.717 0.000 . . . . . . . . . . . 6421 1
58 . 1 1 8 8 IYR HE1 H 1 6.736 0.001 . . . . . . . . . . . 6421 1
59 . 1 1 8 8 IYR HD2 H 1 7.446 0.278 . . . . . . . . . . . 6421 1
60 . 1 1 8 8 IYR HD1 H 1 7.054 0.000 . . . . . . . . . . . 6421 1
61 . 1 1 9 9 THR H H 1 7.813 0.003 . . . . . . . . . . . 6421 1
62 . 1 1 9 9 THR HA H 1 4.344 0.000 . . . . . . . . . . . 6421 1
63 . 1 1 9 9 THR HB H 1 4.074 0.000 . . . . . . . . . . . 6421 1
64 . 1 1 9 9 THR HG21 H 1 1.003 0.003 . . . . . . . . . . . 6421 1
65 . 1 1 9 9 THR HG22 H 1 1.003 0.003 . . . . . . . . . . . 6421 1
66 . 1 1 9 9 THR HG23 H 1 1.003 0.003 . . . . . . . . . . . 6421 1
67 . 1 1 10 10 SER H H 1 7.873 0.000 . . . . . . . . . . . 6421 1
68 . 1 1 10 10 SER HA H 1 4.268 0.002 . . . . . . . . . . . 6421 1
69 . 1 1 10 10 SER HB2 H 1 3.669 0.000 . . . . . . . . . . . 6421 1
70 . 1 1 10 10 SER HB3 H 1 3.546 0.000 . . . . . . . . . . . 6421 1
71 . 1 1 11 11 CYS HB2 H 1 3.140 0.055 . . . . . . . . . . . 6421 1
72 . 1 1 11 11 CYS HA H 1 4.276 0.000 . . . . . . . . . . . 6421 1
73 . 1 1 11 11 CYS HB3 H 1 3.045 0.000 . . . . . . . . . . . 6421 1
74 . 1 1 11 11 CYS H H 1 7.875 0.004 . . . . . . . . . . . 6421 1
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save_