Content for NMR-STAR saveframe, assigned_chemical_shifts_4
save_assigned_chemical_shifts_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4
_Assigned_chem_shift_list.Entry_ID 53705
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Name Trypto-synth-carboxylic-A
_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 .
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_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 '1D 1H' . . . 53705 4
2 '2D 1H-1H TOCSY' . . . 53705 4
3 '2D 1H-13C HSQC' . . . 53705 4
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 53705 4
2 $software_2 . . 53705 4
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_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 TPI H5 H 1 7.49 0 . . . . . . . 1 TPI H5 . 53705 4
2 . 1 . 1 1 1 TPI H6 H 1 7.08 0 . . . . . . . 1 TPI H6 . 53705 4
3 . 1 . 1 1 1 TPI H7 H 1 7.18 0 . . . . . . . 1 TPI H7 . 53705 4
4 . 1 . 1 1 1 TPI H8 H 1 7.38 0 . . . . . . . 1 TPI H8 . 53705 4
5 . 1 . 1 1 1 TPI H9 H 1 10.68 0 . . . . . . . 1 TPI H9 . 53705 4
6 . 1 . 1 1 1 TPI H12 H 1 3.45 0 . . . . . . . 1 TPI H12 . 53705 4
7 . 1 . 1 1 1 TPI H13 H 1 3.45 0 . . . . . . . 1 TPI H13 . 53705 4
8 . 1 . 1 1 1 TPI HA H 1 4.32 0 . . . . . . . 1 TPI HA . 53705 4
9 . 1 . 1 1 1 TPI HB1 H 1 3.45 0 . . . . . . . 1 TPI HB1 . 53705 4
10 . 1 . 1 1 1 TPI HB2 H 1 3.12 0 . . . . . . . 1 TPI HB2 . 53705 4
11 . 1 . 1 1 1 TPI C1 C 13 42.65 0 . . . . . . . 1 TPI C1 . 53705 4
12 . 1 . 1 1 1 TPI C5 C 13 119.32 0 . . . . . . . 1 TPI C5 . 53705 4
13 . 1 . 1 1 1 TPI C6 C 13 121.12 0 . . . . . . . 1 TPI C6 . 53705 4
14 . 1 . 1 1 1 TPI C7 C 13 124.13 0 . . . . . . . 1 TPI C7 . 53705 4
15 . 1 . 1 1 1 TPI C8 C 13 113.07 0 . . . . . . . 1 TPI C8 . 53705 4
16 . 1 . 1 1 1 TPI CA C 13 56.09 0 . . . . . . . 1 TPI CA . 53705 4
17 . 1 . 1 1 1 TPI CB C 13 23.50 0 . . . . . . . 1 TPI CB . 53705 4
18 . 1 . 1 2 2 ARG H H 1 8.75 0 . . . . . . . 2 ARG HN . 53705 4
19 . 1 . 1 2 2 ARG HA H 1 4.74 0 . . . . . . . 2 ARG HA . 53705 4
20 . 1 . 1 2 2 ARG HB2 H 1 1.93 0 . . . . . . . 2 ARG HB2 . 53705 4
21 . 1 . 1 2 2 ARG HB3 H 1 1.78 0 . . . . . . . 2 ARG HB3 . 53705 4
22 . 1 . 1 2 2 ARG HG2 H 1 1.73 0 . . . . . . . 2 ARG HG2 . 53705 4
23 . 1 . 1 2 2 ARG HG3 H 1 1.73 0 . . . . . . . 2 ARG HG3 . 53705 4
24 . 1 . 1 2 2 ARG HD2 H 1 3.22 0 . . . . . . . 2 ARG HD2 . 53705 4
25 . 1 . 1 2 2 ARG HD3 H 1 3.22 0 . . . . . . . 2 ARG HD3 . 53705 4
26 . 1 . 1 2 2 ARG HE H 1 7.37 0 . . . . . . . 2 ARG HE . 53705 4
27 . 1 . 1 2 2 ARG CA C 13 51.16 0 . . . . . . . 2 ARG CA . 53705 4
28 . 1 . 1 2 2 ARG CB C 13 28.05 0 . . . . . . . 2 ARG CB . 53705 4
29 . 1 . 1 2 2 ARG CG C 13 26.51 0 . . . . . . . 2 ARG CG . 53705 4
30 . 1 . 1 2 2 ARG CD C 13 42.86 0 . . . . . . . 2 ARG CD . 53705 4
31 . 1 . 1 3 3 PRO HA H 1 4.43 0 . . . . . . . 3 PRO HA . 53705 4
32 . 1 . 1 3 3 PRO HB2 H 1 2.17 0 . . . . . . . 3 PRO HB2 . 53705 4
33 . 1 . 1 3 3 PRO HB3 H 1 1.91 0 . . . . . . . 3 PRO HB3 . 53705 4
34 . 1 . 1 3 3 PRO HG2 H 1 2.00 0 . . . . . . . 3 PRO HG2 . 53705 4
35 . 1 . 1 3 3 PRO HG3 H 1 2.00 0 . . . . . . . 3 PRO HG3 . 53705 4
36 . 1 . 1 3 3 PRO HD2 H 1 3.88 0 . . . . . . . 3 PRO HD2 . 53705 4
37 . 1 . 1 3 3 PRO HD3 H 1 3.69 0 . . . . . . . 3 PRO HD3 . 53705 4
38 . 1 . 1 3 3 PRO CA C 13 60.21 0 . . . . . . . 3 PRO CA . 53705 4
39 . 1 . 1 3 3 PRO CB C 13 29.09 0 . . . . . . . 3 PRO CB . 53705 4
40 . 1 . 1 3 3 PRO CG C 13 26.50 0 . . . . . . . 3 PRO CG . 53705 4
41 . 1 . 1 3 3 PRO CD C 13 49.41 0 . . . . . . . 3 PRO CD . 53705 4
42 . 1 . 1 4 4 PHE H H 1 8.24 0 . . . . . . . 4 PHE HN . 53705 4
43 . 1 . 1 4 4 PHE HA H 1 4.76 0 . . . . . . . 4 PHE HA . 53705 4
44 . 1 . 1 4 4 PHE HB2 H 1 3.11 0 . . . . . . . 4 PHE HB2 . 53705 4
45 . 1 . 1 4 4 PHE HB3 H 1 2.92 0 . . . . . . . 4 PHE HB3 . 53705 4
46 . 1 . 1 4 4 PHE CA C 13 53.07 0 . . . . . . . 4 PHE CA . 53705 4
47 . 1 . 1 4 4 PHE CB C 13 36.81 0 . . . . . . . 4 PHE CB . 53705 4
48 . 1 . 1 5 5 PRO HA H 1 4.40 0 . . . . . . . 5 PRO HA . 53705 4
49 . 1 . 1 5 5 PRO HB2 H 1 2.06 0 . . . . . . . 5 PRO HB2 . 53705 4
50 . 1 . 1 5 5 PRO HB3 H 1 1.89 0 . . . . . . . 5 PRO HB3 . 53705 4
51 . 1 . 1 5 5 PRO HG2 H 1 1.89 0 . . . . . . . 5 PRO HG2 . 53705 4
52 . 1 . 1 5 5 PRO HG3 H 1 1.83 0 . . . . . . . 5 PRO HG3 . 53705 4
53 . 1 . 1 5 5 PRO HD2 H 1 3.70 0 . . . . . . . 5 PRO HD2 . 53705 4
54 . 1 . 1 5 5 PRO HD3 H 1 3.38 0 . . . . . . . 5 PRO HD3 . 53705 4
55 . 1 . 1 5 5 PRO CA C 13 60.51 0 . . . . . . . 5 PRO CA . 53705 4
56 . 1 . 1 5 5 PRO CB C 13 28.70 0 . . . . . . . 5 PRO CB . 53705 4
57 . 1 . 1 5 5 PRO CG C 13 26.41 0 . . . . . . . 5 PRO CG . 53705 4
58 . 1 . 1 5 5 PRO CD C 13 49.21 0 . . . . . . . 5 PRO CD . 53705 4
59 . 1 . 1 6 6 PHE H H 1 7.81 0 . . . . . . . 6 PHE HN . 53705 4
60 . 1 . 1 6 6 PHE HA H 1 4.69 0 . . . . . . . 6 PHE HA . 53705 4
61 . 1 . 1 6 6 PHE HB2 H 1 3.22 0 . . . . . . . 6 PHE HB2 . 53705 4
62 . 1 . 1 6 6 PHE HB3 H 1 2.98 0 . . . . . . . 6 PHE HB3 . 53705 4
63 . 1 . 1 6 6 PHE CA C 13 54.42 0 . . . . . . . 6 PHE CA . 53705 4
64 . 1 . 1 6 6 PHE CB C 13 37.31 0 . . . . . . . 6 PHE CB . 53705 4
65 . 1 . 1 7 7 LEU H H 1 8.29 0 . . . . . . . 7 LEU HN . 53705 4
66 . 1 . 1 7 7 LEU HA H 1 4.47 0 . . . . . . . 7 LEU HA . 53705 4
67 . 1 . 1 7 7 LEU HB2 H 1 1.67 0 . . . . . . . 7 LEU HB2 . 53705 4
68 . 1 . 1 7 7 LEU HB3 H 1 1.67 0 . . . . . . . 7 LEU HB3 . 53705 4
69 . 1 . 1 7 7 LEU HG H 1 1.73 0 . . . . . . . 7 LEU HG . 53705 4
70 . 1 . 1 7 7 LEU HD11 H 1 0.98 0 . . . . . . . 7 LEU HD1* . 53705 4
71 . 1 . 1 7 7 LEU HD12 H 1 0.98 0 . . . . . . . 7 LEU HD1* . 53705 4
72 . 1 . 1 7 7 LEU HD13 H 1 0.98 0 . . . . . . . 7 LEU HD1* . 53705 4
73 . 1 . 1 7 7 LEU HD21 H 1 0.94 0 . . . . . . . 7 LEU HD2* . 53705 4
74 . 1 . 1 7 7 LEU HD22 H 1 0.94 0 . . . . . . . 7 LEU HD2* . 53705 4
75 . 1 . 1 7 7 LEU HD23 H 1 0.94 0 . . . . . . . 7 LEU HD2* . 53705 4
76 . 1 . 1 7 7 LEU CA C 13 50.99 0 . . . . . . . 7 LEU CA . 53705 4
77 . 1 . 1 7 7 LEU CB C 13 40.48 0 . . . . . . . 7 LEU CB . 53705 4
78 . 1 . 1 7 7 LEU CG C 13 26.52 0 . . . . . . . 7 LEU CG . 53705 4
79 . 1 . 1 7 7 LEU CD1 C 13 24.03 0 . . . . . . . 7 LEU CD1 . 53705 4
80 . 1 . 1 7 7 LEU CD2 C 13 22.63 0 . . . . . . . 7 LEU CD2 . 53705 4
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