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 30476
_Assigned_chem_shift_list.ID 1
_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' . . . 30476 1
2 '2D 1H-1H NOESY' . . . 30476 1
3 '2D 1H-1H ROESY' . . . 30476 1
4 '2D 1H-13C HSQC' . . . 30476 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 PRO HA H 1 4.047 0.020 . 1 . . . . A 1 PRO HA . 30476 1
2 . 1 1 1 1 PRO HB2 H 1 1.803 0.020 . 2 . . . . A 1 PRO HB2 . 30476 1
3 . 1 1 1 1 PRO HB3 H 1 1.632 0.020 . 2 . . . . A 1 PRO HB3 . 30476 1
4 . 1 1 1 1 PRO HG2 H 1 1.637 0.020 . 2 . . . . A 1 PRO HG2 . 30476 1
5 . 1 1 1 1 PRO HG3 H 1 1.248 0.020 . 2 . . . . A 1 PRO HG3 . 30476 1
6 . 1 1 1 1 PRO HD2 H 1 3.429 0.020 . 2 . . . . A 1 PRO HD2 . 30476 1
7 . 1 1 1 1 PRO HD3 H 1 3.103 0.020 . 2 . . . . A 1 PRO HD3 . 30476 1
8 . 1 1 1 1 PRO CA C 13 61.379 0.3 . 1 . . . . A 1 PRO CA . 30476 1
9 . 1 1 1 1 PRO CB C 13 31.287 0.3 . 1 . . . . A 1 PRO CB . 30476 1
10 . 1 1 1 1 PRO CG C 13 21.210 0.3 . 1 . . . . A 1 PRO CG . 30476 1
11 . 1 1 1 1 PRO CD C 13 46.669 0.3 . 1 . . . . A 1 PRO CD . 30476 1
12 . 1 1 2 2 TYR H H 1 7.988 0.020 . 1 . . . . A 2 TYR H . 30476 1
13 . 1 1 2 2 TYR HA H 1 4.863 0.020 . 1 . . . . A 2 TYR HA . 30476 1
14 . 1 1 2 2 TYR HB2 H 1 3.009 0.020 . 2 . . . . A 2 TYR HB2 . 30476 1
15 . 1 1 2 2 TYR HB3 H 1 2.537 0.020 . 2 . . . . A 2 TYR HB3 . 30476 1
16 . 1 1 2 2 TYR HD1 H 1 6.950 0.020 . 1 . . . . A 2 TYR HD1 . 30476 1
17 . 1 1 2 2 TYR HD2 H 1 6.950 0.020 . 1 . . . . A 2 TYR HD2 . 30476 1
18 . 1 1 2 2 TYR HE1 H 1 6.584 0.020 . 1 . . . . A 2 TYR HE1 . 30476 1
19 . 1 1 2 2 TYR HE2 H 1 6.584 0.020 . 1 . . . . A 2 TYR HE2 . 30476 1
20 . 1 1 2 2 TYR CA C 13 51.743 0.3 . 1 . . . . A 2 TYR CA . 30476 1
21 . 1 1 2 2 TYR CB C 13 37.108 0.3 . 1 . . . . A 2 TYR CB . 30476 1
22 . 1 1 2 2 TYR CD1 C 13 130.500 0.3 . 1 . . . . A 2 TYR CD1 . 30476 1
23 . 1 1 2 2 TYR CD2 C 13 130.500 0.3 . 1 . . . . A 2 TYR CD2 . 30476 1
24 . 1 1 2 2 TYR CE1 C 13 114.600 0.3 . 1 . . . . A 2 TYR CE1 . 30476 1
25 . 1 1 2 2 TYR CE2 C 13 114.600 0.3 . 1 . . . . A 2 TYR CE2 . 30476 1
26 . 1 1 3 3 PRO HA H 1 4.243 0.020 . 1 . . . . A 3 PRO HA . 30476 1
27 . 1 1 3 3 PRO HB2 H 1 2.045 0.020 . 2 . . . . A 3 PRO HB2 . 30476 1
28 . 1 1 3 3 PRO HB3 H 1 1.960 0.020 . 2 . . . . A 3 PRO HB3 . 30476 1
29 . 1 1 3 3 PRO HG2 H 1 1.889 0.020 . 2 . . . . A 3 PRO HG2 . 30476 1
30 . 1 1 3 3 PRO HG3 H 1 1.523 0.020 . 2 . . . . A 3 PRO HG3 . 30476 1
31 . 1 1 3 3 PRO HD2 H 1 3.558 0.020 . 2 . . . . A 3 PRO HD2 . 30476 1
32 . 1 1 3 3 PRO HD3 H 1 3.205 0.020 . 2 . . . . A 3 PRO HD3 . 30476 1
33 . 1 1 3 3 PRO CA C 13 61.565 0.3 . 1 . . . . A 3 PRO CA . 30476 1
34 . 1 1 3 3 PRO CB C 13 31.808 0.3 . 1 . . . . A 3 PRO CB . 30476 1
35 . 1 1 3 3 PRO CG C 13 21.934 0.3 . 1 . . . . A 3 PRO CG . 30476 1
36 . 1 1 3 3 PRO CD C 13 47.025 0.3 . 1 . . . . A 3 PRO CD . 30476 1
37 . 1 1 4 4 VAL H H 1 7.841 0.020 . 1 . . . . A 4 VAL H . 30476 1
38 . 1 1 4 4 VAL HA H 1 4.407 0.020 . 1 . . . . A 4 VAL HA . 30476 1
39 . 1 1 4 4 VAL HG11 H 1 0.787 0.020 . 2 . . . . A 4 VAL HG11 . 30476 1
40 . 1 1 4 4 VAL HG12 H 1 0.787 0.020 . 2 . . . . A 4 VAL HG12 . 30476 1
41 . 1 1 4 4 VAL HG13 H 1 0.787 0.020 . 2 . . . . A 4 VAL HG13 . 30476 1
42 . 1 1 4 4 VAL HG21 H 1 0.817 0.020 . 2 . . . . A 4 VAL HG21 . 30476 1
43 . 1 1 4 4 VAL HG22 H 1 0.817 0.020 . 2 . . . . A 4 VAL HG22 . 30476 1
44 . 1 1 4 4 VAL HG23 H 1 0.817 0.020 . 2 . . . . A 4 VAL HG23 . 30476 1
45 . 1 1 4 4 VAL CA C 13 55.120 0.3 . 1 . . . . A 4 VAL CA . 30476 1
46 . 1 1 4 4 VAL CB C 13 29.073 0.3 . 1 . . . . A 4 VAL CB . 30476 1
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save_