Content for NMR-STAR saveframe, assigned_chemical_shifts_3
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 53705
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name Trypto-synth-amidated-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 .
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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 3
2 '2D 1H-1H TOCSY' . . . 53705 3
3 '2D 1H-13C HSQC' . . . 53705 3
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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 3
2 $software_2 . . 53705 3
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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 7.41 0 . . . . . . . 1 TPI H5 . 53705 3
2 . 1 . 1 1 1 TPI H6 H 1 7.01 0 . . . . . . . 1 TPI H6 . 53705 3
3 . 1 . 1 1 1 TPI H7 H 1 7.09 0 . . . . . . . 1 TPI H7 . 53705 3
4 . 1 . 1 1 1 TPI H8 H 1 7.31 0 . . . . . . . 1 TPI H8 . 53705 3
5 . 1 . 1 1 1 TPI H9 H 1 10.31 0 . . . . . . . 1 TPI H9 . 53705 3
6 . 1 . 1 1 1 TPI H12 H 1 4.21 0 . . . . . . . 1 TPI H12 . 53705 3
7 . 1 . 1 1 1 TPI H13 H 1 4.21 0 . . . . . . . 1 TPI H13 . 53705 3
8 . 1 . 1 1 1 TPI HA H 1 3.87 0 . . . . . . . 1 TPI HA . 53705 3
9 . 1 . 1 1 1 TPI HB1 H 1 3.17 0 . . . . . . . 1 TPI HB1 . 53705 3
10 . 1 . 1 1 1 TPI HB2 H 1 2.88 0 . . . . . . . 1 TPI HB2 . 53705 3
11 . 1 . 1 1 1 TPI C1 C 13 42.35 0 . . . . . . . 1 TPI C1 . 53705 3
12 . 1 . 1 1 1 TPI C5 C 13 118.97 0 . . . . . . . 1 TPI C5 . 53705 3
13 . 1 . 1 1 1 TPI C6 C 13 120.62 0 . . . . . . . 1 TPI C6 . 53705 3
14 . 1 . 1 1 1 TPI C7 C 13 123.93 0 . . . . . . . 1 TPI C7 . 53705 3
15 . 1 . 1 1 1 TPI C8 C 13 112.61 0 . . . . . . . 1 TPI C8 . 53705 3
16 . 1 . 1 1 1 TPI CA C 13 56.44 0 . . . . . . . 1 TPI CA . 53705 3
17 . 1 . 1 1 1 TPI CB C 13 24.61 0 . . . . . . . 1 TPI CB . 53705 3
18 . 1 . 1 2 2 ARG H H 1 8.40 0 . . . . . . . 2 ARG HN . 53705 3
19 . 1 . 1 2 2 ARG HA H 1 4.77 0 . . . . . . . 2 ARG HA . 53705 3
20 . 1 . 1 2 2 ARG HB2 H 1 1.90 0 . . . . . . . 2 ARG HB2 . 53705 3
21 . 1 . 1 2 2 ARG HB3 H 1 1.73 0 . . . . . . . 2 ARG HB3 . 53705 3
22 . 1 . 1 2 2 ARG HG2 H 1 1.69 0 . . . . . . . 2 ARG HG2 . 53705 3
23 . 1 . 1 2 2 ARG HG3 H 1 1.69 0 . . . . . . . 2 ARG HG3 . 53705 3
24 . 1 . 1 2 2 ARG HD2 H 1 3.21 0 . . . . . . . 2 ARG HD2 . 53705 3
25 . 1 . 1 2 2 ARG HD3 H 1 3.21 0 . . . . . . . 2 ARG HD3 . 53705 3
26 . 1 . 1 2 2 ARG HE H 1 7.31 0 . . . . . . . 2 ARG HE . 53705 3
27 . 1 . 1 2 2 ARG CA C 13 50.48 0 . . . . . . . 2 ARG CA . 53705 3
28 . 1 . 1 2 2 ARG CB C 13 28.25 0 . . . . . . . 2 ARG CB . 53705 3
29 . 1 . 1 2 2 ARG CG C 13 26.26 0 . . . . . . . 2 ARG CG . 53705 3
30 . 1 . 1 2 2 ARG CD C 13 42.85 0 . . . . . . . 2 ARG CD . 53705 3
31 . 1 . 1 3 3 PRO HA H 1 4.44 0 . . . . . . . 3 PRO HA . 53705 3
32 . 1 . 1 3 3 PRO HB2 H 1 2.15 0 . . . . . . . 3 PRO HB2 . 53705 3
33 . 1 . 1 3 3 PRO HB3 H 1 1.89 0 . . . . . . . 3 PRO HB3 . 53705 3
34 . 1 . 1 3 3 PRO HG2 H 1 1.97 0 . . . . . . . 3 PRO HG2 . 53705 3
35 . 1 . 1 3 3 PRO HG3 H 1 1.97 0 . . . . . . . 3 PRO HG3 . 53705 3
36 . 1 . 1 3 3 PRO HD2 H 1 3.77 0 . . . . . . . 3 PRO HD2 . 53705 3
37 . 1 . 1 3 3 PRO HD3 H 1 3.65 0 . . . . . . . 3 PRO HD3 . 53705 3
38 . 1 . 1 3 3 PRO CA C 13 60.08 0 . . . . . . . 3 PRO CA . 53705 3
39 . 1 . 1 3 3 PRO CB C 13 29.09 0 . . . . . . . 3 PRO CB . 53705 3
40 . 1 . 1 3 3 PRO CG C 13 26.49 0 . . . . . . . 3 PRO CG . 53705 3
41 . 1 . 1 3 3 PRO CD C 13 49.30 0 . . . . . . . 3 PRO CD . 53705 3
42 . 1 . 1 4 4 PHE H H 1 8.32 0 . . . . . . . 4 PHE HN . 53705 3
43 . 1 . 1 4 4 PHE HA H 1 4.73 0 . . . . . . . 4 PHE HA . 53705 3
44 . 1 . 1 4 4 PHE HB2 H 1 3.12 0 . . . . . . . 4 PHE HB2 . 53705 3
45 . 1 . 1 4 4 PHE HB3 H 1 2.97 0 . . . . . . . 4 PHE HB3 . 53705 3
46 . 1 . 1 4 4 PHE CA C 13 53.36 0 . . . . . . . 4 PHE CA . 53705 3
47 . 1 . 1 4 4 PHE CB C 13 36.73 0 . . . . . . . 4 PHE CB . 53705 3
48 . 1 . 1 5 5 PRO HA H 1 4.37 0 . . . . . . . 5 PRO HA . 53705 3
49 . 1 . 1 5 5 PRO HB2 H 1 2.09 0 . . . . . . . 5 PRO HB2 . 53705 3
50 . 1 . 1 5 5 PRO HB3 H 1 1.86 0 . . . . . . . 5 PRO HB3 . 53705 3
51 . 1 . 1 5 5 PRO HG2 H 1 1.88 0 . . . . . . . 5 PRO HG2 . 53705 3
52 . 1 . 1 5 5 PRO HG3 H 1 1.88 0 . . . . . . . 5 PRO HG3 . 53705 3
53 . 1 . 1 5 5 PRO HD2 H 1 3.72 0 . . . . . . . 5 PRO HD2 . 53705 3
54 . 1 . 1 5 5 PRO HD3 H 1 3.38 0 . . . . . . . 5 PRO HD3 . 53705 3
55 . 1 . 1 5 5 PRO CA C 13 60.62 0 . . . . . . . 5 PRO CA . 53705 3
56 . 1 . 1 5 5 PRO CB C 13 28.72 0 . . . . . . . 5 PRO CB . 53705 3
57 . 1 . 1 5 5 PRO CG C 13 26.45 0 . . . . . . . 5 PRO CG . 53705 3
58 . 1 . 1 5 5 PRO CD C 13 49.23 0 . . . . . . . 5 PRO CD . 53705 3
59 . 1 . 1 6 6 PHE H H 1 7.96 0 . . . . . . . 6 PHE HN . 53705 3
60 . 1 . 1 6 6 PHE HA H 1 4.63 0 . . . . . . . 6 PHE HA . 53705 3
61 . 1 . 1 6 6 PHE HB2 H 1 3.21 0 . . . . . . . 6 PHE HB2 . 53705 3
62 . 1 . 1 6 6 PHE HB3 H 1 3.05 0 . . . . . . . 6 PHE HB3 . 53705 3
63 . 1 . 1 6 6 PHE CA C 13 55.02 0 . . . . . . . 6 PHE CA . 53705 3
64 . 1 . 1 6 6 PHE CB C 13 36.89 0 . . . . . . . 6 PHE CB . 53705 3
65 . 1 . 1 7 7 LEU H H 1 8.08 0 . . . . . . . 7 LEU HN . 53705 3
66 . 1 . 1 7 7 LEU HA H 1 4.40 0 . . . . . . . 7 LEU HA . 53705 3
67 . 1 . 1 7 7 LEU HB2 H 1 1.62 0 . . . . . . . 7 LEU HB2 . 53705 3
68 . 1 . 1 7 7 LEU HB3 H 1 1.62 0 . . . . . . . 7 LEU HB3 . 53705 3
69 . 1 . 1 7 7 LEU HG H 1 1.64 0 . . . . . . . 7 LEU HG . 53705 3
70 . 1 . 1 7 7 LEU HD11 H 1 0.96 0 . . . . . . . 7 LEU HD1* . 53705 3
71 . 1 . 1 7 7 LEU HD12 H 1 0.96 0 . . . . . . . 7 LEU HD1* . 53705 3
72 . 1 . 1 7 7 LEU HD13 H 1 0.96 0 . . . . . . . 7 LEU HD1* . 53705 3
73 . 1 . 1 7 7 LEU HD21 H 1 0.92 0 . . . . . . . 7 LEU HD2* . 53705 3
74 . 1 . 1 7 7 LEU HD22 H 1 0.92 0 . . . . . . . 7 LEU HD2* . 53705 3
75 . 1 . 1 7 7 LEU HD23 H 1 0.92 0 . . . . . . . 7 LEU HD2* . 53705 3
76 . 1 . 1 7 7 LEU CA C 13 51.65 0 . . . . . . . 7 LEU CA . 53705 3
77 . 1 . 1 7 7 LEU CB C 13 40.58 0 . . . . . . . 7 LEU CB . 53705 3
78 . 1 . 1 7 7 LEU CG C 13 26.55 0 . . . . . . . 7 LEU CG . 53705 3
79 . 1 . 1 7 7 LEU CD1 C 13 24.13 0 . . . . . . . 7 LEU CD1 . 53705 3
80 . 1 . 1 7 7 LEU CD2 C 13 22.51 0 . . . . . . . 7 LEU CD2 . 53705 3
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