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 20113
_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 $chemical_shift_reference_1
_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
1 '2D 1H-1H NOESY' . . . 20113 1
2 '2D 1H-1H TOCSY' . . . 20113 1
3 '2D 1H-13C HSQC' . . . 20113 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 1 1 PHE HA H 1 4.273 0.01 . 1 . . . . 1 PHE HA . 20113 1
2 . 1 1 1 1 PHE HB2 H 1 3.130 0.01 . 2 . . . . 1 PHE HB2 . 20113 1
3 . 1 1 1 1 PHE HB3 H 1 3.130 0.01 . 2 . . . . 1 PHE HB3 . 20113 1
4 . 1 1 1 1 PHE HD1 H 1 7.314 0.01 . 3 . . . . 1 PHE HD1 . 20113 1
5 . 1 1 1 1 PHE HD2 H 1 7.314 0.01 . 3 . . . . 1 PHE HD2 . 20113 1
6 . 1 1 1 1 PHE CA C 13 56.051 0.10 . 1 . . . . 1 PHE CA . 20113 1
7 . 1 1 1 1 PHE CB C 13 39.137 0.10 . 1 . . . . 1 PHE CB . 20113 1
8 . 1 1 1 1 PHE CD1 C 13 131.792 0.10 . 3 . . . . 1 PHE CD1 . 20113 1
9 . 1 1 1 1 PHE CD2 C 13 131.792 0.10 . 3 . . . . 1 PHE CD2 . 20113 1
10 . 1 1 2 2 PHE H H 1 8.920 0.01 . 1 . . . . 2 PHE H . 20113 1
11 . 1 1 2 2 PHE HA H 1 4.526 0.01 . 1 . . . . 2 PHE HA . 20113 1
12 . 1 1 2 2 PHE HB2 H 1 3.079 0.01 . 2 . . . . 2 PHE HB2 . 20113 1
13 . 1 1 2 2 PHE HB3 H 1 3.022 0.01 . 2 . . . . 2 PHE HB3 . 20113 1
14 . 1 1 2 2 PHE HD1 H 1 7.183 0.01 . 3 . . . . 2 PHE HD1 . 20113 1
15 . 1 1 2 2 PHE HD2 H 1 7.183 0.01 . 3 . . . . 2 PHE HD2 . 20113 1
16 . 1 1 2 2 PHE CA C 13 58.049 0.10 . 1 . . . . 2 PHE CA . 20113 1
17 . 1 1 2 2 PHE CB C 13 38.867 0.10 . 1 . . . . 2 PHE CB . 20113 1
18 . 1 1 3 3 PHE H H 1 8.450 0.01 . 1 . . . . 3 PHE H . 20113 1
19 . 1 1 3 3 PHE HA H 1 4.306 0.01 . 1 . . . . 3 PHE HA . 20113 1
20 . 1 1 3 3 PHE HB2 H 1 3.132 0.01 . 2 . . . . 3 PHE HB2 . 20113 1
21 . 1 1 3 3 PHE HB3 H 1 3.021 0.01 . 2 . . . . 3 PHE HB3 . 20113 1
22 . 1 1 3 3 PHE HD1 H 1 7.161 0.01 . 3 . . . . 3 PHE HD1 . 20113 1
23 . 1 1 3 3 PHE HD2 H 1 7.161 0.01 . 3 . . . . 3 PHE HD2 . 20113 1
24 . 1 1 3 3 PHE HE1 H 1 7.317 0.01 . 3 . . . . 3 PHE HE1 . 20113 1
25 . 1 1 3 3 PHE HE2 H 1 7.317 0.01 . 3 . . . . 3 PHE HE2 . 20113 1
26 . 1 1 3 3 PHE CA C 13 59.283 0.10 . 1 . . . . 3 PHE CA . 20113 1
27 . 1 1 3 3 PHE CB C 13 38.906 0.10 . 1 . . . . 3 PHE CB . 20113 1
28 . 1 1 4 4 LEU H H 1 8.052 0.01 . 1 . . . . 4 LEU H . 20113 1
29 . 1 1 4 4 LEU HA H 1 3.990 0.01 . 1 . . . . 4 LEU HA . 20113 1
30 . 1 1 4 4 LEU HB2 H 1 1.768 0.01 . 2 . . . . 4 LEU HB2 . 20113 1
31 . 1 1 4 4 LEU HB3 H 1 1.602 0.01 . 2 . . . . 4 LEU HB3 . 20113 1
32 . 1 1 4 4 LEU HD11 H 1 0.981 0.01 . 2 . . . . 4 LEU HD11 . 20113 1
33 . 1 1 4 4 LEU HD12 H 1 0.981 0.01 . 2 . . . . 4 LEU HD12 . 20113 1
34 . 1 1 4 4 LEU HD13 H 1 0.981 0.01 . 2 . . . . 4 LEU HD13 . 20113 1
35 . 1 1 4 4 LEU HD21 H 1 0.911 0.01 . 2 . . . . 4 LEU HD21 . 20113 1
36 . 1 1 4 4 LEU HD22 H 1 0.911 0.01 . 2 . . . . 4 LEU HD22 . 20113 1
37 . 1 1 4 4 LEU HD23 H 1 0.911 0.01 . 2 . . . . 4 LEU HD23 . 20113 1
38 . 1 1 4 4 LEU HG H 1 1.624 0.01 . 1 . . . . 4 LEU HG . 20113 1
39 . 1 1 4 4 LEU CA C 13 56.454 0.10 . 1 . . . . 4 LEU CA . 20113 1
40 . 1 1 4 4 LEU CB C 13 41.023 0.10 . 1 . . . . 4 LEU CB . 20113 1
41 . 1 1 4 4 LEU CD1 C 13 25.315 0.10 . 2 . . . . 4 LEU CD1 . 20113 1
42 . 1 1 4 4 LEU CD2 C 13 23.201 0.10 . 2 . . . . 4 LEU CD2 . 20113 1
43 . 1 1 4 4 LEU CG C 13 26.802 0.10 . 1 . . . . 4 LEU CG . 20113 1
44 . 1 1 5 5 SER H H 1 8.249 0.01 . 1 . . . . 5 SER H . 20113 1
45 . 1 1 5 5 SER HA H 1 4.195 0.01 . 1 . . . . 5 SER HA . 20113 1
46 . 1 1 5 5 SER HB2 H 1 3.907 0.01 . 2 . . . . 5 SER HB2 . 20113 1
47 . 1 1 5 5 SER HB3 H 1 3.907 0.01 . 2 . . . . 5 SER HB3 . 20113 1
48 . 1 1 5 5 SER CA C 13 60.950 0.10 . 1 . . . . 5 SER CA . 20113 1
49 . 1 1 5 5 SER CB C 13 61.931 0.10 . 1 . . . . 5 SER CB . 20113 1
50 . 1 1 6 6 ARG H H 1 7.859 0.01 . 1 . . . . 6 ARG H . 20113 1
51 . 1 1 6 6 ARG HA H 1 4.137 0.01 . 1 . . . . 6 ARG HA . 20113 1
52 . 1 1 6 6 ARG HB2 H 1 1.793 0.01 . 2 . . . . 6 ARG HB2 . 20113 1
53 . 1 1 6 6 ARG HB3 H 1 1.793 0.01 . 2 . . . . 6 ARG HB3 . 20113 1
54 . 1 1 6 6 ARG HD2 H 1 3.113 0.01 . 2 . . . . 6 ARG HD2 . 20113 1
55 . 1 1 6 6 ARG HD3 H 1 3.113 0.01 . 2 . . . . 6 ARG HD3 . 20113 1
56 . 1 1 6 6 ARG HE H 1 7.527 0.01 . 1 . . . . 6 ARG HE . 20113 1
57 . 1 1 6 6 ARG HG2 H 1 1.569 0.01 . 2 . . . . 6 ARG HG2 . 20113 1
58 . 1 1 6 6 ARG HG3 H 1 1.569 0.01 . 2 . . . . 6 ARG HG3 . 20113 1
59 . 1 1 6 6 ARG CA C 13 56.860 0.10 . 1 . . . . 6 ARG CA . 20113 1
60 . 1 1 6 6 ARG CB C 13 29.582 0.10 . 1 . . . . 6 ARG CB . 20113 1
61 . 1 1 6 6 ARG CD C 13 42.526 0.10 . 1 . . . . 6 ARG CD . 20113 1
62 . 1 1 6 6 ARG CG C 13 26.619 0.10 . 1 . . . . 6 ARG CG . 20113 1
63 . 1 1 7 7 ILE H H 1 7.440 0.01 . 1 . . . . 7 ILE H . 20113 1
64 . 1 1 7 7 ILE HA H 1 3.799 0.01 . 1 . . . . 7 ILE HA . 20113 1
65 . 1 1 7 7 ILE HB H 1 1.546 0.01 . 1 . . . . 7 ILE HB . 20113 1
66 . 1 1 7 7 ILE HD11 H 1 0.678 0.01 . 1 . . . . 7 ILE HD11 . 20113 1
67 . 1 1 7 7 ILE HD12 H 1 0.678 0.01 . 1 . . . . 7 ILE HD12 . 20113 1
68 . 1 1 7 7 ILE HD13 H 1 0.678 0.01 . 1 . . . . 7 ILE HD13 . 20113 1
69 . 1 1 7 7 ILE HG12 H 1 1.261 0.01 . 2 . . . . 7 ILE HG12 . 20113 1
70 . 1 1 7 7 ILE HG13 H 1 0.964 0.01 . 2 . . . . 7 ILE HG13 . 20113 1
71 . 1 1 7 7 ILE HG21 H 1 0.329 0.01 . 1 . . . . 7 ILE HG21 . 20113 1
72 . 1 1 7 7 ILE HG22 H 1 0.329 0.01 . 1 . . . . 7 ILE HG22 . 20113 1
73 . 1 1 7 7 ILE HG23 H 1 0.329 0.01 . 1 . . . . 7 ILE HG23 . 20113 1
74 . 1 1 7 7 ILE CA C 13 62.296 0.10 . 1 . . . . 7 ILE CA . 20113 1
75 . 1 1 7 7 ILE CB C 13 37.969 0.10 . 1 . . . . 7 ILE CB . 20113 1
76 . 1 1 7 7 ILE CD1 C 13 12.762 0.10 . 1 . . . . 7 ILE CD1 . 20113 1
77 . 1 1 7 7 ILE CG1 C 13 27.140 0.10 . 1 . . . . 7 ILE CG1 . 20113 1
78 . 1 1 7 7 ILE CG2 C 13 16.792 0.10 . 1 . . . . 7 ILE CG2 . 20113 1
79 . 1 1 8 8 NFA H H 1 7.682 0.01 . 1 . . . . 8 NFA H . 20113 1
80 . 1 1 8 8 NFA CA C 13 57.338 0.10 . 1 . . . . 8 NFA CA . 20113 1
81 . 1 1 8 8 NFA HA H 1 4.527 0.01 . 1 . . . . 8 NFA HA . 20113 1
82 . 1 1 8 8 NFA CB C 13 39.452 0.10 . 1 . . . . 8 NFA CB . 20113 1
83 . 1 1 8 8 NFA HB3 H 1 3.279 0.01 . 1 . . . . 8 NFA HB3 . 20113 1
84 . 1 1 8 8 NFA HB2 H 1 2.809 0.01 . 1 . . . . 8 NFA HB2 . 20113 1
85 . 1 1 8 8 NFA CD1 C 13 131.545 0.10 . 3 . . . . 8 NFA CD1 . 20113 1
86 . 1 1 8 8 NFA CD2 C 13 131.545 0.10 . 3 . . . . 8 NFA CD2 . 20113 1
87 . 1 1 8 8 NFA CZ C 13 128.498 0.10 . 1 . . . . 8 NFA CZ . 20113 1
88 . 1 1 8 8 NFA HZ H 1 7.093 0.01 . 1 . . . . 8 NFA HZ . 20113 1
89 . 1 1 8 8 NFA HD1 H 1 7.354 0.01 . 3 . . . . 8 NFA HD1 . 20113 1
90 . 1 1 8 8 NFA HD2 H 1 7.354 0.01 . 3 . . . . 8 NFA HD2 . 20113 1
91 . 1 1 8 8 NFA HE1 H 1 7.206 0.01 . 3 . . . . 8 NFA HE1 . 20113 1
92 . 1 1 8 8 NFA HE2 H 1 7.206 0.01 . 3 . . . . 8 NFA HE2 . 20113 1
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