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 6897
_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 . 6897 1
2 '2D TOCSY' 1 $sample_1 . 6897 1
3 DQF-COSY 1 $sample_1 . 6897 1
4 E-COSY 1 $sample_1 . 6897 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 GLY HA2 H 1 4.059 0.001 . 1 . . . . . . . . . 6897 1
2 . 1 1 1 1 GLY HA3 H 1 4.059 0.001 . 1 . . . . . . . . . 6897 1
3 . 1 1 2 2 SEC H H 1 9.124 0.002 . 1 . . . . . . . . . 6897 1
4 . 1 1 2 2 SEC HA H 1 4.610 0.397 . 1 . . . . . . . . . 6897 1
5 . 1 1 2 2 SEC HB2 H 1 3.842 0.398 . 2 . . . . . . . . . 6897 1
6 . 1 1 2 2 SEC HB3 H 1 3.226 0.018 . 2 . . . . . . . . . 6897 1
7 . 1 1 3 3 CYS H H 1 8.688 0.015 . 1 . . . . . . . . . 6897 1
8 . 1 1 3 3 CYS HA H 1 4.456 0.036 . 1 . . . . . . . . . 6897 1
9 . 1 1 3 3 CYS HB2 H 1 3.563 0.009 . 2 . . . . . . . . . 6897 1
10 . 1 1 3 3 CYS HB3 H 1 3.062 0.013 . 2 . . . . . . . . . 6897 1
11 . 1 1 4 4 SER H H 1 8.203 0.011 . 1 . . . . . . . . . 6897 1
12 . 1 1 4 4 SER HA H 1 4.664 0.027 . 1 . . . . . . . . . 6897 1
13 . 1 1 4 4 SER HB2 H 1 4.156 0.005 . 2 . . . . . . . . . 6897 1
14 . 1 1 4 4 SER HB3 H 1 4.071 0.007 . 2 . . . . . . . . . 6897 1
15 . 1 1 5 5 ASP H H 1 8.267 0.007 . 1 . . . . . . . . . 6897 1
16 . 1 1 5 5 ASP HA H 1 5.259 0.005 . 1 . . . . . . . . . 6897 1
17 . 1 1 5 5 ASP HB2 H 1 3.488 0.023 . 2 . . . . . . . . . 6897 1
18 . 1 1 5 5 ASP HB3 H 1 2.845 0.022 . 2 . . . . . . . . . 6897 1
19 . 1 1 6 6 PRO HA H 1 4.406 0.592 . 1 . . . . . . . . . 6897 1
20 . 1 1 6 6 PRO HB2 H 1 2.546 0.186 . 1 . . . . . . . . . 6897 1
21 . 1 1 6 6 PRO HB3 H 1 2.524 0.648 . 1 . . . . . . . . . 6897 1
22 . 1 1 6 6 PRO HG2 H 1 2.345 0.130 . 1 . . . . . . . . . 6897 1
23 . 1 1 6 6 PRO HG3 H 1 2.345 0.130 . 1 . . . . . . . . . 6897 1
24 . 1 1 6 6 PRO HD2 H 1 4.268 0.020 . 2 . . . . . . . . . 6897 1
25 . 1 1 6 6 PRO HD3 H 1 4.074 0.461 . 2 . . . . . . . . . 6897 1
26 . 1 1 7 7 ARG H H 1 8.807 0.007 . 1 . . . . . . . . . 6897 1
27 . 1 1 7 7 ARG HA H 1 4.534 0.028 . 1 . . . . . . . . . 6897 1
28 . 1 1 7 7 ARG HB2 H 1 2.157 0.018 . 2 . . . . . . . . . 6897 1
29 . 1 1 7 7 ARG HB3 H 1 2.018 0.010 . 2 . . . . . . . . . 6897 1
30 . 1 1 7 7 ARG HG2 H 1 1.919 0.005 . 1 . . . . . . . . . 6897 1
31 . 1 1 7 7 ARG HG3 H 1 1.919 0.005 . 1 . . . . . . . . . 6897 1
32 . 1 1 7 7 ARG HD2 H 1 3.459 0.013 . 1 . . . . . . . . . 6897 1
33 . 1 1 7 7 ARG HD3 H 1 3.459 0.013 . 1 . . . . . . . . . 6897 1
34 . 1 1 8 8 SEC H H 1 8.403 0.016 . 1 . . . . . . . . . 6897 1
35 . 1 1 8 8 SEC HA H 1 4.709 0.018 . 1 . . . . . . . . . 6897 1
36 . 1 1 8 8 SEC HB2 H 1 4.000 0.026 . 2 . . . . . . . . . 6897 1
37 . 1 1 8 8 SEC HB3 H 1 3.469 0.006 . 2 . . . . . . . . . 6897 1
38 . 1 1 9 9 ALA H H 1 8.165 0.001 . 1 . . . . . . . . . 6897 1
39 . 1 1 9 9 ALA HA H 1 4.718 1.150 . 1 . . . . . . . . . 6897 1
40 . 1 1 9 9 ALA HB1 H 1 1.635 0.010 . 1 . . . . . . . . . 6897 1
41 . 1 1 9 9 ALA HB2 H 1 1.635 0.010 . 1 . . . . . . . . . 6897 1
42 . 1 1 9 9 ALA HB3 H 1 1.635 0.010 . 1 . . . . . . . . . 6897 1
43 . 1 1 10 10 TRP H H 1 8.236 0.006 . 1 . . . . . . . . . 6897 1
44 . 1 1 10 10 TRP HA H 1 4.679 0.022 . 1 . . . . . . . . . 6897 1
45 . 1 1 10 10 TRP HB2 H 1 3.657 0.007 . 2 . . . . . . . . . 6897 1
46 . 1 1 10 10 TRP HB3 H 1 3.390 0.025 . 2 . . . . . . . . . 6897 1
47 . 1 1 10 10 TRP HD1 H 1 7.621 0.003 . 1 . . . . . . . . . 6897 1
48 . 1 1 10 10 TRP HE3 H 1 7.792 0.005 . 1 . . . . . . . . . 6897 1
49 . 1 1 11 11 ARG H H 1 7.741 0.019 . 1 . . . . . . . . . 6897 1
50 . 1 1 11 11 ARG HA H 1 3.979 0.027 . 1 . . . . . . . . . 6897 1
51 . 1 1 11 11 ARG HB3 H 1 1.610 0.003 . 2 . . . . . . . . . 6897 1
52 . 1 1 11 11 ARG HB2 H 1 1.553 0.033 . 2 . . . . . . . . . 6897 1
53 . 1 1 11 11 ARG HG2 H 1 0.630 0.046 . 2 . . . . . . . . . 6897 1
54 . 1 1 11 11 ARG HG3 H 1 0.569 0.041 . 2 . . . . . . . . . 6897 1
55 . 1 1 11 11 ARG HD2 H 1 3.150 0.005 . 1 . . . . . . . . . 6897 1
56 . 1 1 11 11 ARG HD3 H 1 3.150 0.005 . 1 . . . . . . . . . 6897 1
57 . 1 1 12 12 CYS H H 1 8.134 0.015 . 1 . . . . . . . . . 6897 1
58 . 1 1 12 12 CYS HA H 1 4.804 0.026 . 1 . . . . . . . . . 6897 1
59 . 1 1 12 12 CYS HB2 H 1 3.582 0.003 . 2 . . . . . . . . . 6897 1
60 . 1 1 12 12 CYS HB3 H 1 3.371 0.009 . 2 . . . . . . . . . 6897 1
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save_