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 6041
_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' . . . 6041 1
2 '2D TOCSY' . . . 6041 1
3 DQF-COSY . . . 6041 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 ARG HA H 1 3.925 0.003 . . . . . . . . . . . 6041 1
2 . 1 1 1 1 ARG HB2 H 1 1.920 0.007 . . . . . . . . . . . 6041 1
3 . 1 1 1 1 ARG HD2 H 1 3.208 0.001 . . . . . . . . . . . 6041 1
4 . 1 1 1 1 ARG HE H 1 7.519 0.002 . . . . . . . . . . . 6041 1
5 . 1 1 1 1 ARG HG2 H 1 1.588 0.009 . . . . . . . . . . . 6041 1
6 . 1 1 1 1 ARG H H 1 8.969 0.001 . . . . . . . . . . . 6041 1
7 . 1 1 2 2 ARG HA H 1 4.253 0.005 . . . . . . . . . . . 6041 1
8 . 1 1 2 2 ARG HB2 H 1 1.587 0.005 . . . . . . . . . . . 6041 1
9 . 1 1 2 2 ARG HD2 H 1 3.126 0.003 . . . . . . . . . . . 6041 1
10 . 1 1 2 2 ARG HE H 1 7.504 0.001 . . . . . . . . . . . 6041 1
11 . 1 1 2 2 ARG HG2 H 1 1.750 0.004 . . . . . . . . . . . 6041 1
12 . 1 1 2 2 ARG HG3 H 1 1.432 0.002 . . . . . . . . . . . 6041 1
13 . 1 1 2 2 ARG H H 1 8.361 0.002 . . . . . . . . . . . 6041 1
14 . 1 1 3 3 TRP HA H 1 4.683 0.001 . . . . . . . . . . . 6041 1
15 . 1 1 3 3 TRP HB2 H 1 3.450 0.003 . . . . . . . . . . . 6041 1
16 . 1 1 3 3 TRP HB3 H 1 3.239 0.001 . . . . . . . . . . . 6041 1
17 . 1 1 3 3 TRP HD1 H 1 7.365 0.001 . . . . . . . . . . . 6041 1
18 . 1 1 3 3 TRP HE1 H 1 10.621 0.001 . . . . . . . . . . . 6041 1
19 . 1 1 3 3 TRP HE3 H 1 7.716 0.003 . . . . . . . . . . . 6041 1
20 . 1 1 3 3 TRP HH2 H 1 7.025 0.000 . . . . . . . . . . . 6041 1
21 . 1 1 3 3 TRP H H 1 7.428 0.002 . . . . . . . . . . . 6041 1
22 . 1 1 3 3 TRP HZ2 H 1 7.364 0.000 . . . . . . . . . . . 6041 1
23 . 1 1 3 3 TRP HZ3 H 1 7.088 0.000 . . . . . . . . . . . 6041 1
24 . 1 1 4 4 TRP HA H 1 4.177 0.003 . . . . . . . . . . . 6041 1
25 . 1 1 4 4 TRP HB2 H 1 2.382 0.002 . . . . . . . . . . . 6041 1
26 . 1 1 4 4 TRP HB3 H 1 3.122 0.003 . . . . . . . . . . . 6041 1
27 . 1 1 4 4 TRP HD1 H 1 7.239 0.001 . . . . . . . . . . . 6041 1
28 . 1 1 4 4 TRP HE1 H 1 10.923 0.001 . . . . . . . . . . . 6041 1
29 . 1 1 4 4 TRP HE3 H 1 7.371 0.003 . . . . . . . . . . . 6041 1
30 . 1 1 4 4 TRP HH2 H 1 7.075 0.000 . . . . . . . . . . . 6041 1
31 . 1 1 4 4 TRP H H 1 8.902 0.001 . . . . . . . . . . . 6041 1
32 . 1 1 4 4 TRP HZ2 H 1 7.480 0.002 . . . . . . . . . . . 6041 1
33 . 1 1 4 4 TRP HZ3 H 1 7.004 0.002 . . . . . . . . . . . 6041 1
34 . 1 1 5 5 ARG HA H 1 3.849 0.003 . . . . . . . . . . . 6041 1
35 . 1 1 5 5 ARG HB2 H 1 0.222 0.007 . . . . . . . . . . . 6041 1
36 . 1 1 5 5 ARG HB3 H 1 1.390 0.002 . . . . . . . . . . . 6041 1
37 . 1 1 5 5 ARG HD2 H 1 2.573 0.004 . . . . . . . . . . . 6041 1
38 . 1 1 5 5 ARG HD3 H 1 2.273 0.034 . . . . . . . . . . . 6041 1
39 . 1 1 5 5 ARG HE H 1 7.055 0.002 . . . . . . . . . . . 6041 1
40 . 1 1 5 5 ARG HG2 H 1 0.478 0.005 . . . . . . . . . . . 6041 1
41 . 1 1 5 5 ARG HG3 H 1 -0.055 0.005 . . . . . . . . . . . 6041 1
42 . 1 1 5 5 ARG H H 1 6.298 0.003 . . . . . . . . . . . 6041 1
43 . 1 1 6 6 PHE HA H 1 4.743 0.003 . . . . . . . . . . . 6041 1
44 . 1 1 6 6 PHE HB2 H 1 3.219 0.005 . . . . . . . . . . . 6041 1
45 . 1 1 6 6 PHE HB3 H 1 3.659 0.005 . . . . . . . . . . . 6041 1
46 . 1 1 6 6 PHE HD1 H 1 7.400 0.003 . . . . . . . . . . . 6041 1
47 . 1 1 6 6 PHE HE1 H 1 7.240 0.003 . . . . . . . . . . . 6041 1
48 . 1 1 6 6 PHE H H 1 8.293 0.002 . . . . . . . . . . . 6041 1
stop_
save_