Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51042
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name s100
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_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 .
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_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 1H-1H TOCSY' . . . 51042 1
2 '2D 1H-1H NOESY' . . . 51042 1
3 '2D 1H-15N HSQC' . . . 51042 1
4 '2D 1H-13C HSQC' . . . 51042 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51042 1
2 $software_2 . . 51042 1
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_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 2 2 PHE H H 1 8.59 0.01 . 1 . . . . . 2 PHE H . 51042 1
2 . 1 . 1 2 2 PHE HA H 1 4.58 0.01 . 1 . . . . . 2 PHE HA . 51042 1
3 . 1 . 1 2 2 PHE CA C 13 57.90 0.3 . 1 . . . . . 2 PHE CA . 51042 1
4 . 1 . 1 2 2 PHE N N 15 124.01 0.3 . 1 . . . . . 2 PHE N . 51042 1
5 . 1 . 1 3 3 GLU H H 1 8.34 0.01 . 1 . . . . . 3 GLU H . 51042 1
6 . 1 . 1 3 3 GLU HA H 1 4.20 0.01 . 1 . . . . . 3 GLU HA . 51042 1
7 . 1 . 1 3 3 GLU CA C 13 55.68 0.3 . 1 . . . . . 3 GLU CA . 51042 1
8 . 1 . 1 3 3 GLU N N 15 124.69 0.3 . 1 . . . . . 3 GLU N . 51042 1
9 . 1 . 1 4 4 GLY H H 1 7.32 0.01 . 1 . . . . . 4 GLY H . 51042 1
10 . 1 . 1 4 4 GLY HA2 H 1 3.76 0.01 . 1 . . . . . 4 GLY HA2 . 51042 1
11 . 1 . 1 4 4 GLY HA3 H 1 3.64 0.01 . 1 . . . . . 4 GLY HA3 . 51042 1
12 . 1 . 1 4 4 GLY CA C 13 44.91 0.3 . 1 . . . . . 4 GLY CA . 51042 1
13 . 1 . 1 5 5 PHE H H 1 8.16 0.01 . 1 . . . . . 5 PHE H . 51042 1
14 . 1 . 1 5 5 PHE HA H 1 4.89 0.01 . 1 . . . . . 5 PHE HA . 51042 1
15 . 1 . 1 5 5 PHE CA C 13 55.82 0.3 . 1 . . . . . 5 PHE CA . 51042 1
16 . 1 . 1 5 5 PHE N N 15 120.57 0.3 . 1 . . . . . 5 PHE N . 51042 1
17 . 1 . 1 6 6 PRO HA H 1 4.40 0.01 . 1 . . . . . 6 PRO HA . 51042 1
18 . 1 . 1 6 6 PRO CA C 13 63.51 0.3 . 1 . . . . . 6 PRO CA . 51042 1
19 . 1 . 1 7 7 ASP H H 1 8.42 0.01 . 1 . . . . . 7 ASP H . 51042 1
20 . 1 . 1 7 7 ASP HA H 1 4.63 0.01 . 1 . . . . . 7 ASP HA . 51042 1
21 . 1 . 1 7 7 ASP CA C 13 53.62 0.3 . 1 . . . . . 7 ASP CA . 51042 1
22 . 1 . 1 7 7 ASP N N 15 119.37 0.3 . 1 . . . . . 7 ASP N . 51042 1
23 . 1 . 1 8 8 LYS H H 1 8.29 0.01 . 1 . . . . . 8 LYS H . 51042 1
24 . 1 . 1 8 8 LYS HA H 1 4.32 0.01 . 1 . . . . . 8 LYS HA . 51042 1
25 . 1 . 1 8 8 LYS CA C 13 56.23 0.3 . 1 . . . . . 8 LYS CA . 51042 1
26 . 1 . 1 8 8 LYS N N 15 121.60 0.3 . 1 . . . . . 8 LYS N . 51042 1
27 . 1 . 1 9 9 GLN H H 1 8.24 0.01 . 1 . . . . . 9 GLN H . 51042 1
28 . 1 . 1 9 9 GLN HA H 1 4.59 0.01 . 1 . . . . . 9 GLN HA . 51042 1
29 . 1 . 1 9 9 GLN CA C 13 53.69 0.3 . 1 . . . . . 9 GLN CA . 51042 1
30 . 1 . 1 9 9 GLN N N 15 121.85 0.3 . 1 . . . . . 9 GLN N . 51042 1
31 . 1 . 1 10 10 PRO HA H 1 4.40 0.01 . 1 . . . . . 10 PRO HA . 51042 1
32 . 1 . 1 10 10 PRO CA C 13 63.07 0.3 . 1 . . . . . 10 PRO CA . 51042 1
33 . 1 . 1 11 11 ARG H H 1 8.43 0.01 . 1 . . . . . 11 ARG H . 51042 1
34 . 1 . 1 11 11 ARG HA H 1 4.29 0.01 . 1 . . . . . 11 ARG HA . 51042 1
35 . 1 . 1 11 11 ARG CA C 13 56.11 0.3 . 1 . . . . . 11 ARG CA . 51042 1
36 . 1 . 1 11 11 ARG N N 15 121.75 0.3 . 1 . . . . . 11 ARG N . 51042 1
37 . 1 . 1 12 12 LYS H H 1 8.39 0.01 . 1 . . . . . 12 LYS H . 51042 1
38 . 1 . 1 12 12 LYS HA H 1 4.29 0.01 . 1 . . . . . 12 LYS HA . 51042 1
39 . 1 . 1 12 12 LYS CA C 13 56.18 0.3 . 1 . . . . . 12 LYS CA . 51042 1
40 . 1 . 1 12 12 LYS N N 15 123.49 0.3 . 1 . . . . . 12 LYS N . 51042 1
41 . 1 . 1 13 13 LYS H H 1 8.43 0.01 . 1 . . . . . 13 LYS H . 51042 1
42 . 1 . 1 13 13 LYS HA H 1 4.28 0.01 . 1 . . . . . 13 LYS HA . 51042 1
43 . 1 . 1 13 13 LYS CA C 13 56.26 0.3 . 1 . . . . . 13 LYS CA . 51042 1
44 . 1 . 1 13 13 LYS N N 15 124.25 0.3 . 1 . . . . . 13 LYS N . 51042 1
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