Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18750
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $with_Zn
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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-13C HSQC' . . . 18750 1
2 '3D HCCH-TOCSY' . . . 18750 1
3 '3D 1H-13C NOESY aliphatic' . . . 18750 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.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 14 14 PRO HA H 1 4.226 0.0114 . 1 . . . . 14 PRO HA . 18750 1
2 . 1 1 14 14 PRO HB2 H 1 2.288 0.0125 . . . . . . 14 PRO HB2 . 18750 1
3 . 1 1 14 14 PRO HB3 H 1 1.919 0.0075 . . . . . . 14 PRO HB3 . 18750 1
4 . 1 1 14 14 PRO HG2 H 1 2.069 0.0005 . . . . . . 14 PRO HG2 . 18750 1
5 . 1 1 14 14 PRO HG3 H 1 2.017 0.0255 . . . . . . 14 PRO HG3 . 18750 1
6 . 1 1 14 14 PRO HD2 H 1 3.858 0 . . . . . . 14 PRO HD2 . 18750 1
7 . 1 1 14 14 PRO HD3 H 1 3.620 0 . . . . . . 14 PRO HD3 . 18750 1
8 . 1 1 14 14 PRO CA C 13 64.79 0.0482 . 1 . . . . 14 PRO CA . 18750 1
9 . 1 1 14 14 PRO CB C 13 31.98 0.0492 . 1 . . . . 14 PRO CB . 18750 1
10 . 1 1 14 14 PRO CG C 13 27.35 0.0508 . 1 . . . . 14 PRO CG . 18750 1
11 . 1 1 14 14 PRO CD C 13 50.65 0 . 1 . . . . 14 PRO CD . 18750 1
12 . 1 1 35 35 PRO HA H 1 4.410 0.0138 . 1 . . . . 35 PRO HA . 18750 1
13 . 1 1 35 35 PRO HG2 H 1 2.086 0.089 . . . . . . 35 PRO HG2 . 18750 1
14 . 1 1 35 35 PRO HD2 H 1 3.651 0.0667 . . . . . . 35 PRO HD2 . 18750 1
15 . 1 1 35 35 PRO HD3 H 1 3.730 0.078 . . . . . . 35 PRO HD3 . 18750 1
16 . 1 1 35 35 PRO CA C 13 63.06 0.1048 . 1 . . . . 35 PRO CA . 18750 1
17 . 1 1 35 35 PRO CB C 13 32.05 0.0457 . 1 . . . . 35 PRO CB . 18750 1
18 . 1 1 35 35 PRO CG C 13 27.40 0.0467 . 1 . . . . 35 PRO CG . 18750 1
19 . 1 1 35 35 PRO CD C 13 50.49 0.0667 . 1 . . . . 35 PRO CD . 18750 1
20 . 1 1 35 35 PRO N N 15 135.7 0.1595 . 1 . . . . 35 PRO N . 18750 1
21 . 1 1 100 100 PRO HA H 1 4.846 0.012 . 1 . . . . 100 PRO HA . 18750 1
22 . 1 1 100 100 PRO HB2 H 1 2.406 0.008 . . . . . . 100 PRO HB2 . 18750 1
23 . 1 1 100 100 PRO HB3 H 1 2.037 0.012 . . . . . . 100 PRO HB3 . 18750 1
24 . 1 1 100 100 PRO HG2 H 1 1.837 0.014 . . . . . . 100 PRO HG2 . 18750 1
25 . 1 1 100 100 PRO HG3 H 1 2.169 0.008 . . . . . . 100 PRO HG3 . 18750 1
26 . 1 1 100 100 PRO HD2 H 1 4.010 0.025 . . . . . . 100 PRO HD2 . 18750 1
27 . 1 1 100 100 PRO HD3 H 1 3.707 0.076 . . . . . . 100 PRO HD3 . 18750 1
28 . 1 1 100 100 PRO CA C 13 61.20 0.0907 . 1 . . . . 100 PRO CA . 18750 1
29 . 1 1 100 100 PRO CB C 13 30.91 0.0737 . 1 . . . . 100 PRO CB . 18750 1
30 . 1 1 100 100 PRO CG C 13 27.25 0.0995 . 1 . . . . 100 PRO CG . 18750 1
31 . 1 1 100 100 PRO CD C 13 50.53 0.0822 . 1 . . . . 100 PRO CD . 18750 1
32 . 1 1 101 101 PRO HA H 1 4.204 0.013 . 1 . . . . 101 PRO HA . 18750 1
33 . 1 1 101 101 PRO HB2 H 1 2.380 0.039 . . . . . . 101 PRO HB2 . 18750 1
34 . 1 1 101 101 PRO HB3 H 1 2.006 0.029 . . . . . . 101 PRO HB3 . 18750 1
35 . 1 1 101 101 PRO HG2 H 1 2.222 0.041 . . . . . . 101 PRO HG2 . 18750 1
36 . 1 1 101 101 PRO HG3 H 1 2.042 0.000 . . . . . . 101 PRO HG3 . 18750 1
37 . 1 1 101 101 PRO HD2 H 1 3.300 0.009 . . . . . . 101 PRO HD2 . 18750 1
38 . 1 1 101 101 PRO HD3 H 1 3.112 0.017 . . . . . . 101 PRO HD3 . 18750 1
39 . 1 1 101 101 PRO CA C 13 66.13 0.13 . 1 . . . . 101 PRO CA . 18750 1
40 . 1 1 101 101 PRO CB C 13 32.00 0.06 . 1 . . . . 101 PRO CB . 18750 1
41 . 1 1 101 101 PRO CG C 13 27.45 0.08 . 1 . . . . 101 PRO CG . 18750 1
42 . 1 1 101 101 PRO CD C 13 50.35 0.06 . 1 . . . . 101 PRO CD . 18750 1
43 . 1 1 101 101 PRO N N 15 135.20 0.00 . 1 . . . . 101 PRO N . 18750 1
stop_
save_