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 51595
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name P5-9
_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 .
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 1H-1H TOCSY' . . . 51595 1
2 '2D 1H-1H NOESY' . . . 51595 1
3 '2D 1H-13C HSQC' . . . 51595 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 . . 51595 1
2 $software_2 . . 51595 1
3 $software_3 . . 51595 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 4 4 GLY H H 1 8.712 0.000 . 1 . . . . . 4 GLY H . 51595 1
2 . 1 . 1 4 4 GLY HA2 H 1 3.958 0.000 . 1 . . . . . 4 GLY HA2 . 51595 1
3 . 1 . 1 6 6 SER H H 1 8.575 0.000 . 1 . . . . . 6 SER H . 51595 1
4 . 1 . 1 6 6 SER HB2 H 1 3.914 0.000 . 1 . . . . . 6 SER HB2 . 51595 1
5 . 1 . 1 7 7 LEU H H 1 8.430 0.000 . 1 . . . . . 7 LEU H . 51595 1
6 . 1 . 1 7 7 LEU HA H 1 4.323 0.000 . 1 . . . . . 7 LEU HA . 51595 1
7 . 1 . 1 7 7 LEU HB2 H 1 1.640 0.000 . 1 . . . . . 7 LEU HB2 . 51595 1
8 . 1 . 1 7 7 LEU HD11 H 1 0.883 0.000 . 2 . . . . . 7 LEU HD11 . 51595 1
9 . 1 . 1 7 7 LEU HD12 H 1 0.883 0.000 . 2 . . . . . 7 LEU HD12 . 51595 1
10 . 1 . 1 7 7 LEU HD13 H 1 0.883 0.000 . 2 . . . . . 7 LEU HD13 . 51595 1
11 . 1 . 1 7 7 LEU HD21 H 1 0.939 0.000 . 2 . . . . . 7 LEU HD21 . 51595 1
12 . 1 . 1 7 7 LEU HD22 H 1 0.939 0.000 . 2 . . . . . 7 LEU HD22 . 51595 1
13 . 1 . 1 7 7 LEU HD23 H 1 0.939 0.000 . 2 . . . . . 7 LEU HD23 . 51595 1
14 . 1 . 1 11 11 GLN H H 1 8.301 0.000 . 1 . . . . . 11 GLN H . 51595 1
15 . 1 . 1 11 11 GLN HA H 1 4.209 0.000 . 1 . . . . . 11 GLN HA . 51595 1
16 . 1 . 1 11 11 GLN HB2 H 1 2.101 0.000 . 1 . . . . . 11 GLN HB2 . 51595 1
17 . 1 . 1 11 11 GLN HG2 H 1 2.396 0.000 . 2 . . . . . 11 GLN HG2 . 51595 1
18 . 1 . 1 11 11 GLN HG3 H 1 2.462 0.000 . 2 . . . . . 11 GLN HG3 . 51595 1
19 . 1 . 1 11 11 GLN CA C 13 57.119 0.000 . 1 . . . . . 11 GLN CA . 51595 1
20 . 1 . 1 11 11 GLN N N 15 119.347 0.000 . 1 . . . . . 11 GLN N . 51595 1
21 . 1 . 1 12 12 LEU H H 1 8.172 0.001 . 1 . . . . . 12 LEU H . 51595 1
22 . 1 . 1 12 12 LEU HA H 1 4.246 0.000 . 1 . . . . . 12 LEU HA . 51595 1
23 . 1 . 1 12 12 LEU HB2 H 1 1.682 0.000 . 1 . . . . . 12 LEU HB2 . 51595 1
24 . 1 . 1 12 12 LEU HG H 1 1.648 0.000 . 1 . . . . . 12 LEU HG . 51595 1
25 . 1 . 1 12 12 LEU HD11 H 1 0.906 0.000 . 1 . . . . . 12 LEU HD11 . 51595 1
26 . 1 . 1 12 12 LEU HD12 H 1 0.906 0.000 . 1 . . . . . 12 LEU HD12 . 51595 1
27 . 1 . 1 12 12 LEU HD13 H 1 0.906 0.000 . 1 . . . . . 12 LEU HD13 . 51595 1
28 . 1 . 1 16 16 GLN H H 1 8.126 0.001 . 1 . . . . . 16 GLN H . 51595 1
29 . 1 . 1 16 16 GLN HA H 1 4.244 0.002 . 1 . . . . . 16 GLN HA . 51595 1
30 . 1 . 1 16 16 GLN HB2 H 1 2.009 0.000 . 2 . . . . . 16 GLN HB2 . 51595 1
31 . 1 . 1 16 16 GLN HB3 H 1 2.108 0.000 . 2 . . . . . 16 GLN HB3 . 51595 1
32 . 1 . 1 16 16 GLN HG2 H 1 2.424 0.000 . 1 . . . . . 16 GLN HG2 . 51595 1
33 . 1 . 1 16 16 GLN CA C 13 56.290 0.000 . 1 . . . . . 16 GLN CA . 51595 1
34 . 1 . 1 16 16 GLN N N 15 118.807 0.000 . 1 . . . . . 16 GLN N . 51595 1
35 . 1 . 1 19 19 TYR H H 1 7.863 0.000 . 1 . . . . . 19 TYR H . 51595 1
36 . 1 . 1 19 19 TYR HA H 1 4.369 0.000 . 1 . . . . . 19 TYR HA . 51595 1
37 . 1 . 1 19 19 TYR HB2 H 1 3.091 0.000 . 2 . . . . . 19 TYR HB2 . 51595 1
38 . 1 . 1 19 19 TYR HB3 H 1 2.852 0.000 . 2 . . . . . 19 TYR HB3 . 51595 1
39 . 1 . 1 19 19 TYR N N 15 109.415 0.000 . 1 . . . . . 19 TYR N . 51595 1
stop_
save_