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 18754
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $45C
_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' . . . 18754 1
2 '3D HCCH-TOCSY' . . . 18754 1
3 '3D 1H-13C NOESY aliphatic' . . . 18754 1
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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 4.742 0.032 . 1 . . . . 14 PRO HA . 18754 1
2 . 1 1 14 14 PRO HB2 H 1 2.318 0.012 . . . . . . 14 PRO HB2 . 18754 1
3 . 1 1 14 14 PRO HB3 H 1 2.085 0.010 . . . . . . 14 PRO HB3 . 18754 1
4 . 1 1 14 14 PRO HG2 H 1 1.404 0.026 . . . . . . 14 PRO HG2 . 18754 1
5 . 1 1 14 14 PRO HG3 H 1 1.833 0.000 . . . . . . 14 PRO HG3 . 18754 1
6 . 1 1 14 14 PRO HD2 H 1 3.490 0.010 . . . . . . 14 PRO HD2 . 18754 1
7 . 1 1 14 14 PRO HD3 H 1 3.490 0.000 . . . . . . 14 PRO HD3 . 18754 1
8 . 1 1 14 14 PRO CA C 13 62.95 0.070 . 1 . . . . 14 PRO CA . 18754 1
9 . 1 1 14 14 PRO CB C 13 34.45 0.070 . 1 . . . . 14 PRO CB . 18754 1
10 . 1 1 14 14 PRO CG C 13 24.82 0.020 . 1 . . . . 14 PRO CG . 18754 1
11 . 1 1 14 14 PRO CD C 13 50.36 0.100 . 1 . . . . 14 PRO CD . 18754 1
12 . 1 1 14 14 PRO N N 15 137.10 0.04 . 1 . . . . 14 PRO N . 18754 1
13 . 1 1 35 35 PRO HA H 1 4.410 0.0138 . 1 . . . . 35 PRO HA . 18754 1
14 . 1 1 35 35 PRO HG2 H 1 2.086 0.0890 . . . . . . 35 PRO HG2 . 18754 1
15 . 1 1 35 35 PRO HD2 H 1 3.651 0.0667 . . . . . . 35 PRO HD2 . 18754 1
16 . 1 1 35 35 PRO HD3 H 1 3.730 0.0780 . . . . . . 35 PRO HD3 . 18754 1
17 . 1 1 35 35 PRO CA C 13 63.06 0.1048 . 1 . . . . 35 PRO CA . 18754 1
18 . 1 1 35 35 PRO CB C 13 32.05 0.0457 . 1 . . . . 35 PRO CB . 18754 1
19 . 1 1 35 35 PRO CG C 13 27.40 0.0467 . 1 . . . . 35 PRO CG . 18754 1
20 . 1 1 35 35 PRO CD C 13 50.49 0.0667 . 1 . . . . 35 PRO CD . 18754 1
21 . 1 1 35 35 PRO N N 15 135.7 0.1595 . 1 . . . . 35 PRO N . 18754 1
22 . 1 1 100 100 PRO HA H 1 4.667 0.013 . 1 . . . . 100 PRO HA . 18754 1
23 . 1 1 100 100 PRO HB2 H 1 2.333 0.007 . . . . . . 100 PRO HB2 . 18754 1
24 . 1 1 100 100 PRO HB3 H 1 1.870 0.017 . . . . . . 100 PRO HB3 . 18754 1
25 . 1 1 100 100 PRO HG2 H 1 2.109 0.070 . . . . . . 100 PRO HG2 . 18754 1
26 . 1 1 100 100 PRO HG3 H 1 1.952 0.097 . . . . . . 100 PRO HG3 . 18754 1
27 . 1 1 100 100 PRO HD2 H 1 3.823 0.019 . . . . . . 100 PRO HD2 . 18754 1
28 . 1 1 100 100 PRO HD3 H 1 3.627 0.061 . . . . . . 100 PRO HD3 . 18754 1
29 . 1 1 100 100 PRO CA C 13 61.36 0.310 . 1 . . . . 100 PRO CA . 18754 1
30 . 1 1 100 100 PRO CB C 13 30.88 0.060 . 1 . . . . 100 PRO CB . 18754 1
31 . 1 1 100 100 PRO CG C 13 27.36 0.080 . 1 . . . . 100 PRO CG . 18754 1
32 . 1 1 100 100 PRO CD C 13 50.45 0.060 . 1 . . . . 100 PRO CD . 18754 1
33 . 1 1 101 101 PRO HA H 1 135.80 0.00 . 1 . . . . 101 PRO HA . 18754 1
34 . 1 1 101 101 PRO HB2 H 1 2.435 0.012 . . . . . . 101 PRO HB2 . 18754 1
35 . 1 1 101 101 PRO HB3 H 1 2.090 0.010 . . . . . . 101 PRO HB3 . 18754 1
36 . 1 1 101 101 PRO HG2 H 1 1.939 0.006 . . . . . . 101 PRO HG2 . 18754 1
37 . 1 1 101 101 PRO HG3 H 1 1.861 0.009 . . . . . . 101 PRO HG3 . 18754 1
38 . 1 1 101 101 PRO HD2 H 1 3.850 0.000 . . . . . . 101 PRO HD2 . 18754 1
39 . 1 1 101 101 PRO HD3 H 1 3.612 0.015 . . . . . . 101 PRO HD3 . 18754 1
40 . 1 1 101 101 PRO CA C 13 61.58 0.080 . 1 . . . . 101 PRO CA . 18754 1
41 . 1 1 101 101 PRO CB C 13 33.07 0.060 . 1 . . . . 101 PRO CB . 18754 1
42 . 1 1 101 101 PRO CG C 13 24.74 0.020 . 1 . . . . 101 PRO CG . 18754 1
43 . 1 1 101 101 PRO CD C 13 50.31 0.090 . 1 . . . . 101 PRO CD . 18754 1
44 . 1 1 101 101 PRO N N 15 136.00 0.00 . 1 . . . . 101 PRO N . 18754 1
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save_