Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 20113
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_2
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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
4 '2D 1H-1H NOESY' . . . 20113 2
5 '2D 1H-1H TOCSY' . . . 20113 2
6 '2D 1H-13C HSQC' . . . 20113 2
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 1 1 PHE HA H 1 4.293 0.01 . 1 . . . . 1 PHE HA . 20113 2
2 . 1 1 1 1 PHE HB2 H 1 3.300 0.01 . 2 . . . . 1 PHE HB2 . 20113 2
3 . 1 1 1 1 PHE HB3 H 1 3.300 0.01 . 2 . . . . 1 PHE HB3 . 20113 2
4 . 1 1 1 1 PHE HD1 H 1 7.257 0.01 . 3 . . . . 1 PHE HD1 . 20113 2
5 . 1 1 1 1 PHE HD2 H 1 7.257 0.01 . 3 . . . . 1 PHE HD2 . 20113 2
6 . 1 1 1 1 PHE CA C 13 57.253 0.10 . 1 . . . . 1 PHE CA . 20113 2
7 . 1 1 1 1 PHE CB C 13 39.338 0.10 . 1 . . . . 1 PHE CB . 20113 2
8 . 1 1 2 2 PHE H H 1 7.850 0.01 . 1 . . . . 2 PHE H . 20113 2
9 . 1 1 2 2 PHE HA H 1 4.576 0.01 . 1 . . . . 2 PHE HA . 20113 2
10 . 1 1 2 2 PHE HB2 H 1 3.076 0.01 . 2 . . . . 2 PHE HB2 . 20113 2
11 . 1 1 2 2 PHE HB3 H 1 3.076 0.01 . 2 . . . . 2 PHE HB3 . 20113 2
12 . 1 1 2 2 PHE HD1 H 1 7.133 0.01 . 3 . . . . 2 PHE HD1 . 20113 2
13 . 1 1 2 2 PHE HD2 H 1 7.133 0.01 . 3 . . . . 2 PHE HD2 . 20113 2
14 . 1 1 2 2 PHE CA C 13 59.162 0.10 . 1 . . . . 2 PHE CA . 20113 2
15 . 1 1 2 2 PHE CB C 13 39.298 0.10 . 1 . . . . 2 PHE CB . 20113 2
16 . 1 1 3 3 PHE H H 1 7.820 0.01 . 1 . . . . 3 PHE H . 20113 2
17 . 1 1 3 3 PHE HA H 1 4.341 0.01 . 1 . . . . 3 PHE HA . 20113 2
18 . 1 1 3 3 PHE HB2 H 1 3.166 0.01 . 2 . . . . 3 PHE HB2 . 20113 2
19 . 1 1 3 3 PHE HB3 H 1 3.038 0.01 . 2 . . . . 3 PHE HB3 . 20113 2
20 . 1 1 3 3 PHE HD1 H 1 7.191 0.01 . 3 . . . . 3 PHE HD1 . 20113 2
21 . 1 1 3 3 PHE HD2 H 1 7.191 0.01 . 3 . . . . 3 PHE HD2 . 20113 2
22 . 1 1 3 3 PHE CA C 13 60.130 0.10 . 1 . . . . 3 PHE CA . 20113 2
23 . 1 1 3 3 PHE CB C 13 39.293 0.10 . 1 . . . . 3 PHE CB . 20113 2
24 . 1 1 4 4 LEU H H 1 7.880 0.01 . 1 . . . . 4 LEU H . 20113 2
25 . 1 1 4 4 LEU HA H 1 4.093 0.01 . 1 . . . . 4 LEU HA . 20113 2
26 . 1 1 4 4 LEU HB2 H 1 1.863 0.01 . 2 . . . . 4 LEU HB2 . 20113 2
27 . 1 1 4 4 LEU HB3 H 1 1.611 0.01 . 2 . . . . 4 LEU HB3 . 20113 2
28 . 1 1 4 4 LEU HD11 H 1 0.971 0.01 . 2 . . . . 4 LEU HD11 . 20113 2
29 . 1 1 4 4 LEU HD12 H 1 0.971 0.01 . 2 . . . . 4 LEU HD12 . 20113 2
30 . 1 1 4 4 LEU HD13 H 1 0.971 0.01 . 2 . . . . 4 LEU HD13 . 20113 2
31 . 1 1 4 4 LEU HD21 H 1 0.926 0.01 . 2 . . . . 4 LEU HD21 . 20113 2
32 . 1 1 4 4 LEU HD22 H 1 0.926 0.01 . 2 . . . . 4 LEU HD22 . 20113 2
33 . 1 1 4 4 LEU HD23 H 1 0.926 0.01 . 2 . . . . 4 LEU HD23 . 20113 2
34 . 1 1 4 4 LEU HG H 1 1.717 0.01 . 1 . . . . 4 LEU HG . 20113 2
35 . 1 1 4 4 LEU CA C 13 57.247 0.10 . 1 . . . . 4 LEU CA . 20113 2
36 . 1 1 4 4 LEU CB C 13 41.273 0.10 . 1 . . . . 4 LEU CB . 20113 2
37 . 1 1 4 4 LEU CD1 C 13 25.771 0.10 . 2 . . . . 4 LEU CD1 . 20113 2
38 . 1 1 4 4 LEU CD2 C 13 23.653 0.10 . 2 . . . . 4 LEU CD2 . 20113 2
39 . 1 1 4 4 LEU CG C 13 27.238 0.10 . 1 . . . . 4 LEU CG . 20113 2
40 . 1 1 5 5 SER H H 1 7.940 0.01 . 1 . . . . 5 SER H . 20113 2
41 . 1 1 5 5 SER HA H 1 4.266 0.01 . 1 . . . . 5 SER HA . 20113 2
42 . 1 1 5 5 SER HB2 H 1 3.945 0.01 . 2 . . . . 5 SER HB2 . 20113 2
43 . 1 1 5 5 SER HB3 H 1 3.945 0.01 . 2 . . . . 5 SER HB3 . 20113 2
44 . 1 1 5 5 SER CA C 13 60.630 0.10 . 1 . . . . 5 SER CA . 20113 2
45 . 1 1 5 5 SER CB C 13 62.988 0.10 . 1 . . . . 5 SER CB . 20113 2
46 . 1 1 6 6 ARG H H 1 7.720 0.01 . 1 . . . . 6 ARG H . 20113 2
47 . 1 1 6 6 ARG HA H 1 4.181 0.01 . 1 . . . . 6 ARG HA . 20113 2
48 . 1 1 6 6 ARG HB2 H 1 1.849 0.01 . 2 . . . . 6 ARG HB2 . 20113 2
49 . 1 1 6 6 ARG HB3 H 1 1.849 0.01 . 2 . . . . 6 ARG HB3 . 20113 2
50 . 1 1 6 6 ARG HD2 H 1 3.124 0.01 . 2 . . . . 6 ARG HD2 . 20113 2
51 . 1 1 6 6 ARG HD3 H 1 3.124 0.01 . 2 . . . . 6 ARG HD3 . 20113 2
52 . 1 1 6 6 ARG HG2 H 1 1.622 0.01 . 2 . . . . 6 ARG HG2 . 20113 2
53 . 1 1 6 6 ARG HG3 H 1 1.622 0.01 . 2 . . . . 6 ARG HG3 . 20113 2
54 . 1 1 6 6 ARG CA C 13 57.629 0.10 . 1 . . . . 6 ARG CA . 20113 2
55 . 1 1 6 6 ARG CB C 13 30.349 0.10 . 1 . . . . 6 ARG CB . 20113 2
56 . 1 1 6 6 ARG CD C 13 43.382 0.10 . 1 . . . . 6 ARG CD . 20113 2
57 . 1 1 6 6 ARG CG C 13 27.399 0.10 . 1 . . . . 6 ARG CG . 20113 2
58 . 1 1 7 7 ILE H H 1 7.450 0.01 . 1 . . . . 7 ILE H . 20113 2
59 . 1 1 7 7 ILE HA H 1 3.899 0.01 . 1 . . . . 7 ILE HA . 20113 2
60 . 1 1 7 7 ILE HB H 1 1.542 0.01 . 1 . . . . 7 ILE HB . 20113 2
61 . 1 1 7 7 ILE HD11 H 1 0.713 0.01 . 1 . . . . 7 ILE HD11 . 20113 2
62 . 1 1 7 7 ILE HD12 H 1 0.713 0.01 . 1 . . . . 7 ILE HD12 . 20113 2
63 . 1 1 7 7 ILE HD13 H 1 0.713 0.01 . 1 . . . . 7 ILE HD13 . 20113 2
64 . 1 1 7 7 ILE HG12 H 1 1.298 0.01 . 2 . . . . 7 ILE HG12 . 20113 2
65 . 1 1 7 7 ILE HG13 H 1 1.002 0.01 . 2 . . . . 7 ILE HG13 . 20113 2
66 . 1 1 7 7 ILE HG21 H 1 0.360 0.01 . 1 . . . . 7 ILE HG21 . 20113 2
67 . 1 1 7 7 ILE HG22 H 1 0.360 0.01 . 1 . . . . 7 ILE HG22 . 20113 2
68 . 1 1 7 7 ILE HG23 H 1 0.360 0.01 . 1 . . . . 7 ILE HG23 . 20113 2
69 . 1 1 7 7 ILE CA C 13 62.623 0.10 . 1 . . . . 7 ILE CA . 20113 2
70 . 1 1 7 7 ILE CB C 13 38.883 0.10 . 1 . . . . 7 ILE CB . 20113 2
71 . 1 1 7 7 ILE CD1 C 13 13.180 0.10 . 1 . . . . 7 ILE CD1 . 20113 2
72 . 1 1 7 7 ILE CG1 C 13 27.582 0.10 . 1 . . . . 7 ILE CG1 . 20113 2
73 . 1 1 7 7 ILE CG2 C 13 17.177 0.10 . 1 . . . . 7 ILE CG2 . 20113 2
74 . 1 1 8 8 NFA H H 1 7.740 0.01 . 1 . . . . 8 NFA H . 20113 2
75 . 1 1 8 8 NFA CA C 13 57.724 0.10 . 1 . . . . 8 NFA CA . 20113 2
76 . 1 1 8 8 NFA HA H 1 4.633 0.01 . 1 . . . . 8 NFA HA . 20113 2
77 . 1 1 8 8 NFA CB C 13 39.898 0.10 . 1 . . . . 8 NFA CB . 20113 2
78 . 1 1 8 8 NFA HB2 H 1 3.315 0.01 . 2 . . . . 8 NFA HB2 . 20113 2
79 . 1 1 8 8 NFA HB3 H 1 2.840 0.01 . 2 . . . . 8 NFA HB3 . 20113 2
80 . 1 1 8 8 NFA HD1 H 1 7.341 0.01 . 3 . . . . 8 NFA HD1 . 20113 2
81 . 1 1 8 8 NFA HD2 H 1 7.341 0.01 . 3 . . . . 8 NFA HD2 . 20113 2
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