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 52049
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name VAQAQINI
_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 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_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 13C-13C DARR' . . . 52049 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 . . 52049 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 1 1 VAL C C 13 170.894 0.085 . 1 . . . . . 101 VAL C . 52049 1
2 . 1 . 1 1 1 VAL CA C 13 60.812 0.051 . 1 . . . . . 101 VAL CA . 52049 1
3 . 1 . 1 1 1 VAL CB C 13 33.112 0.102 . 1 . . . . . 101 VAL CB . 52049 1
4 . 1 . 1 1 1 VAL CG1 C 13 20.176 0.336 . . . . . . . 101 VAL CG1 . 52049 1
5 . 1 . 1 1 1 VAL CG2 C 13 18.821 0.125 . . . . . . . 101 VAL CG2 . 52049 1
6 . 1 . 1 2 2 ALA C C 13 174.009 0.032 . 1 . . . . . 102 ALA C . 52049 1
7 . 1 . 1 2 2 ALA CA C 13 49.519 0.159 . 1 . . . . . 102 ALA CA . 52049 1
8 . 1 . 1 2 2 ALA CB C 13 38.298 12.974 . 1 . . . . . 102 ALA CB . 52049 1
9 . 1 . 1 3 3 GLN C C 13 173.517 0.069 . 1 . . . . . 103 GLN C . 52049 1
10 . 1 . 1 3 3 GLN CA C 13 53.895 0.067 . 1 . . . . . 103 GLN CA . 52049 1
11 . 1 . 1 3 3 GLN CB C 13 55.329 52.895 . 1 . . . . . 103 GLN CB . 52049 1
12 . 1 . 1 3 3 GLN CG C 13 32.494 0.585 . 1 . . . . . 103 GLN CG . 52049 1
13 . 1 . 1 4 4 ALA C C 13 175.108 0.022 . 1 . . . . . 104 ALA C . 52049 1
14 . 1 . 1 4 4 ALA CA C 13 49.360 0.088 . 1 . . . . . 104 ALA CA . 52049 1
15 . 1 . 1 4 4 ALA CB C 13 26.612 8.627 . 1 . . . . . 104 ALA CB . 52049 1
16 . 1 . 1 5 5 GLN C C 13 174.658 0.065 . 1 . . . . . 105 GLN C . 52049 1
17 . 1 . 1 5 5 GLN CA C 13 53.991 0.069 . 1 . . . . . 105 GLN CA . 52049 1
18 . 1 . 1 5 5 GLN CB C 13 31.691 0.298 . 1 . . . . . 105 GLN CB . 52049 1
19 . 1 . 1 5 5 GLN CG C 13 31.602 0.060 . 1 . . . . . 105 GLN CG . 52049 1
20 . 1 . 1 6 6 ILE C C 13 174.386 0.039 . 1 . . . . . 106 ILE C . 52049 1
21 . 1 . 1 6 6 ILE CA C 13 59.809 0.083 . 1 . . . . . 106 ILE CA . 52049 1
22 . 1 . 1 6 6 ILE CB C 13 42.129 0.007 . 1 . . . . . 106 ILE CB . 52049 1
23 . 1 . 1 6 6 ILE CG1 C 13 28.345 0.007 . 1 . . . . . 106 ILE CG1 . 52049 1
24 . 1 . 1 6 6 ILE CG2 C 13 16.507 0.007 . 1 . . . . . 106 ILE CG2 . 52049 1
25 . 1 . 1 6 6 ILE CD1 C 13 14.878 0.007 . 1 . . . . . 106 ILE CD1 . 52049 1
26 . 1 . 1 7 7 ASN C C 13 172.263 0.558 . 1 . . . . . 107 ASN C . 52049 1
27 . 1 . 1 7 7 ASN CA C 13 52.610 0.080 . 1 . . . . . 107 ASN CA . 52049 1
28 . 1 . 1 7 7 ASN CB C 13 41.551 0.128 . 1 . . . . . 107 ASN CB . 52049 1
29 . 1 . 1 8 8 ILE C C 13 176.346 1.350 . 1 . . . . . 108 ILE C . 52049 1
30 . 1 . 1 8 8 ILE CA C 13 58.962 0.520 . 1 . . . . . 108 ILE CA . 52049 1
31 . 1 . 1 8 8 ILE CB C 13 39.914 0.183 . 1 . . . . . 108 ILE CB . 52049 1
32 . 1 . 1 8 8 ILE CG1 C 13 26.944 0.120 . 1 . . . . . 108 ILE CG1 . 52049 1
33 . 1 . 1 8 8 ILE CG2 C 13 30.174 42.241 . 1 . . . . . 108 ILE CG2 . 52049 1
34 . 1 . 1 8 8 ILE CD1 C 13 13.626 0.265 . 1 . . . . . 108 ILE CD1 . 52049 1
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