Content for NMR-STAR saveframe, assigned_chemical_shifts_5
save_assigned_chemical_shifts_5
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5
_Assigned_chem_shift_list.Entry_ID 53705
_Assigned_chem_shift_list.ID 5
_Assigned_chem_shift_list.Name Trypto-synth-carboxylic-B
_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 .
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 '1D 1H' . . . 53705 5
2 '2D 1H-1H TOCSY' . . . 53705 5
3 '2D 1H-13C HSQC' . . . 53705 5
stop_
loop_
_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 5
2 $software_2 . . 53705 5
stop_
loop_
_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 7.48 0 . . . . . . . 1 TPI H5 . 53705 5
2 . 1 . 1 1 1 TPI H6 H 1 7.08 0 . . . . . . . 1 TPI H6 . 53705 5
3 . 1 . 1 1 1 TPI H7 H 1 7.17 0 . . . . . . . 1 TPI H7 . 53705 5
4 . 1 . 1 1 1 TPI H8 H 1 7.38 0 . . . . . . . 1 TPI H8 . 53705 5
5 . 1 . 1 1 1 TPI H9 H 1 10.66 0 . . . . . . . 1 TPI H9 . 53705 5
6 . 1 . 1 1 1 TPI H12 H 1 4.51 0 . . . . . . . 1 TPI H12 . 53705 5
7 . 1 . 1 1 1 TPI H13 H 1 4.51 0 . . . . . . . 1 TPI H13 . 53705 5
8 . 1 . 1 1 1 TPI HA H 1 4.32 0 . . . . . . . 1 TPI HA . 53705 5
9 . 1 . 1 1 1 TPI HB1 H 1 3.48 0 . . . . . . . 1 TPI HB1 . 53705 5
10 . 1 . 1 1 1 TPI HB2 H 1 3.07 0 . . . . . . . 1 TPI HB2 . 53705 5
11 . 1 . 1 1 1 TPI C1 C 13 42.65 0 . . . . . . . 1 TPI C1 . 53705 5
12 . 1 . 1 1 1 TPI C5 C 13 119.39 0 . . . . . . . 1 TPI C5 . 53705 5
13 . 1 . 1 1 1 TPI C6 C 13 121.32 0 . . . . . . . 1 TPI C6 . 53705 5
14 . 1 . 1 1 1 TPI C7 C 13 124.19 0 . . . . . . . 1 TPI C7 . 53705 5
15 . 1 . 1 1 1 TPI C8 C 13 113.04 0 . . . . . . . 1 TPI C8 . 53705 5
16 . 1 . 1 1 1 TPI CA C 13 55.96 0 . . . . . . . 1 TPI CA . 53705 5
17 . 1 . 1 1 1 TPI CB C 13 23.30 0 . . . . . . . 1 TPI CB . 53705 5
18 . 1 . 1 2 2 ARG H H 1 8.69 0 . . . . . . . 2 ARG HN . 53705 5
19 . 1 . 1 2 2 ARG HA H 1 4.76 0 . . . . . . . 2 ARG HA . 53705 5
20 . 1 . 1 2 2 ARG HB2 H 1 1.93 0 . . . . . . . 2 ARG HB2 . 53705 5
21 . 1 . 1 2 2 ARG HB3 H 1 1.78 0 . . . . . . . 2 ARG HB3 . 53705 5
22 . 1 . 1 2 2 ARG HG2 H 1 1.75 0 . . . . . . . 2 ARG HG2 . 53705 5
23 . 1 . 1 2 2 ARG HG3 H 1 1.75 0 . . . . . . . 2 ARG HG3 . 53705 5
24 . 1 . 1 2 2 ARG HD2 H 1 3.21 0 . . . . . . . 2 ARG HD2 . 53705 5
25 . 1 . 1 2 2 ARG HD3 H 1 3.21 0 . . . . . . . 2 ARG HD3 . 53705 5
26 . 1 . 1 2 2 ARG HE H 1 7.34 0 . . . . . . . 2 ARG HE . 53705 5
27 . 1 . 1 2 2 ARG CA C 13 51.09 0 . . . . . . . 2 ARG CA . 53705 5
28 . 1 . 1 2 2 ARG CB C 13 28.05 0 . . . . . . . 2 ARG CB . 53705 5
29 . 1 . 1 2 2 ARG CG C 13 26.43 0 . . . . . . . 2 ARG CG . 53705 5
30 . 1 . 1 2 2 ARG CD C 13 42.88 0 . . . . . . . 2 ARG CD . 53705 5
31 . 1 . 1 3 3 PRO HA H 1 4.43 0 . . . . . . . 3 PRO HA . 53705 5
32 . 1 . 1 3 3 PRO HB2 H 1 2.13 0 . . . . . . . 3 PRO HB2 . 53705 5
33 . 1 . 1 3 3 PRO HB3 H 1 1.89 0 . . . . . . . 3 PRO HB3 . 53705 5
34 . 1 . 1 3 3 PRO HG2 H 1 1.98 0 . . . . . . . 3 PRO HG2 . 53705 5
35 . 1 . 1 3 3 PRO HG3 H 1 1.98 0 . . . . . . . 3 PRO HG3 . 53705 5
36 . 1 . 1 3 3 PRO HD2 H 1 3.77 0 . . . . . . . 3 PRO HD2 . 53705 5
37 . 1 . 1 3 3 PRO HD3 H 1 3.65 0 . . . . . . . 3 PRO HD3 . 53705 5
38 . 1 . 1 3 3 PRO CA C 13 60.14 0 . . . . . . . 3 PRO CA . 53705 5
39 . 1 . 1 3 3 PRO CB C 13 29.08 0 . . . . . . . 3 PRO CB . 53705 5
40 . 1 . 1 3 3 PRO CG C 13 26.53 0 . . . . . . . 3 PRO CG . 53705 5
41 . 1 . 1 3 3 PRO CD C 13 49.34 0 . . . . . . . 3 PRO CD . 53705 5
42 . 1 . 1 4 4 PHE H H 1 8.25 0 . . . . . . . 4 PHE HN . 53705 5
43 . 1 . 1 4 4 PHE HA H 1 4.75 0 . . . . . . . 4 PHE HA . 53705 5
44 . 1 . 1 4 4 PHE HB2 H 1 3.11 0 . . . . . . . 4 PHE HB2 . 53705 5
45 . 1 . 1 4 4 PHE HB3 H 1 2.94 0 . . . . . . . 4 PHE HB3 . 53705 5
46 . 1 . 1 4 4 PHE CA C 13 53.23 0 . . . . . . . 4 PHE CA . 53705 5
47 . 1 . 1 4 4 PHE CB C 13 36.77 0 . . . . . . . 4 PHE CB . 53705 5
48 . 1 . 1 5 5 PRO HA H 1 4.39 0 . . . . . . . 5 PRO HA . 53705 5
49 . 1 . 1 5 5 PRO HB2 H 1 2.06 0 . . . . . . . 5 PRO HB2 . 53705 5
50 . 1 . 1 5 5 PRO HB3 H 1 1.89 0 . . . . . . . 5 PRO HB3 . 53705 5
51 . 1 . 1 5 5 PRO HG2 H 1 1.89 0 . . . . . . . 5 PRO HG2 . 53705 5
52 . 1 . 1 5 5 PRO HG3 H 1 1.83 0 . . . . . . . 5 PRO HG3 . 53705 5
53 . 1 . 1 5 5 PRO HD2 H 1 3.70 0 . . . . . . . 5 PRO HD2 . 53705 5
54 . 1 . 1 5 5 PRO HD3 H 1 3.36 0 . . . . . . . 5 PRO HD3 . 53705 5
55 . 1 . 1 5 5 PRO CA C 13 60.51 0 . . . . . . . 5 PRO CA . 53705 5
56 . 1 . 1 5 5 PRO CB C 13 28.70 0 . . . . . . . 5 PRO CB . 53705 5
57 . 1 . 1 5 5 PRO CG C 13 26.42 0 . . . . . . . 5 PRO CG . 53705 5
58 . 1 . 1 5 5 PRO CD C 13 49.19 0 . . . . . . . 5 PRO CD . 53705 5
59 . 1 . 1 6 6 PHE H H 1 7.80 0 . . . . . . . 6 PHE HN . 53705 5
60 . 1 . 1 6 6 PHE HA H 1 4.69 0 . . . . . . . 6 PHE HA . 53705 5
61 . 1 . 1 6 6 PHE HB2 H 1 3.25 0 . . . . . . . 6 PHE HB2 . 53705 5
62 . 1 . 1 6 6 PHE HB3 H 1 2.98 0 . . . . . . . 6 PHE HB3 . 53705 5
63 . 1 . 1 6 6 PHE CA C 13 54.41 0 . . . . . . . 6 PHE CA . 53705 5
64 . 1 . 1 6 6 PHE CB C 13 37.30 0 . . . . . . . 6 PHE CB . 53705 5
65 . 1 . 1 7 7 LEU H H 1 8.28 0 . . . . . . . 7 LEU HN . 53705 5
66 . 1 . 1 7 7 LEU HA H 1 4.46 0 . . . . . . . 7 LEU HA . 53705 5
67 . 1 . 1 7 7 LEU HB2 H 1 1.67 0 . . . . . . . 7 LEU HB2 . 53705 5
68 . 1 . 1 7 7 LEU HB3 H 1 1.67 0 . . . . . . . 7 LEU HB3 . 53705 5
69 . 1 . 1 7 7 LEU HG H 1 1.72 0 . . . . . . . 7 LEU HG . 53705 5
70 . 1 . 1 7 7 LEU HD11 H 1 0.98 0 . . . . . . . 7 LEU HD1* . 53705 5
71 . 1 . 1 7 7 LEU HD12 H 1 0.98 0 . . . . . . . 7 LEU HD1* . 53705 5
72 . 1 . 1 7 7 LEU HD13 H 1 0.98 0 . . . . . . . 7 LEU HD1* . 53705 5
73 . 1 . 1 7 7 LEU HD21 H 1 0.94 0 . . . . . . . 7 LEU HD2* . 53705 5
74 . 1 . 1 7 7 LEU HD22 H 1 0.94 0 . . . . . . . 7 LEU HD2* . 53705 5
75 . 1 . 1 7 7 LEU HD23 H 1 0.94 0 . . . . . . . 7 LEU HD2* . 53705 5
76 . 1 . 1 7 7 LEU CA C 13 50.91 0 . . . . . . . 7 LEU CA . 53705 5
77 . 1 . 1 7 7 LEU CB C 13 40.46 0 . . . . . . . 7 LEU CB . 53705 5
78 . 1 . 1 7 7 LEU CG C 13 26.44 0 . . . . . . . 7 LEU CG . 53705 5
79 . 1 . 1 7 7 LEU CD1 C 13 24.00 0 . . . . . . . 7 LEU CD1 . 53705 5
80 . 1 . 1 7 7 LEU CD2 C 13 22.60 0 . . . . . . . 7 LEU CD2 . 53705 5
stop_
save_