Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36316
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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
_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 '2D DQF-COSY' 1 $sample_1 isotropic 36316 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36316 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36316 1
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 3 3 ILE H H 1 8.2510 0.0000 . 1 . . . . A 3 ILE H . 36316 1
2 . 1 . 1 3 3 ILE HA H 1 4.0390 0.0000 . 1 . . . . A 3 ILE HA . 36316 1
3 . 1 . 1 3 3 ILE HB H 1 1.8940 0.0000 . 1 . . . . A 3 ILE HB . 36316 1
4 . 1 . 1 3 3 ILE HG21 H 1 0.9520 0.0000 . 1 . . . . A 3 ILE HG21 . 36316 1
5 . 1 . 1 3 3 ILE HG22 H 1 0.9520 0.0000 . 1 . . . . A 3 ILE HG22 . 36316 1
6 . 1 . 1 3 3 ILE HG23 H 1 0.9520 0.0000 . 1 . . . . A 3 ILE HG23 . 36316 1
7 . 1 . 1 4 4 VAL H H 1 7.2710 0.0000 . 1 . . . . A 4 VAL H . 36316 1
8 . 1 . 1 4 4 VAL HA H 1 3.7530 0.0000 . 1 . . . . A 4 VAL HA . 36316 1
9 . 1 . 1 4 4 VAL HB H 1 2.1580 0.0000 . 1 . . . . A 4 VAL HB . 36316 1
10 . 1 . 1 4 4 VAL HG11 H 1 1.0250 0.0000 . 2 . . . . A 4 VAL HG11 . 36316 1
11 . 1 . 1 4 4 VAL HG12 H 1 1.0250 0.0000 . 2 . . . . A 4 VAL HG12 . 36316 1
12 . 1 . 1 4 4 VAL HG13 H 1 1.0250 0.0000 . 2 . . . . A 4 VAL HG13 . 36316 1
13 . 1 . 1 4 4 VAL HG21 H 1 1.0250 0.0000 . 2 . . . . A 4 VAL HG21 . 36316 1
14 . 1 . 1 4 4 VAL HG22 H 1 1.0250 0.0000 . 2 . . . . A 4 VAL HG22 . 36316 1
15 . 1 . 1 4 4 VAL HG23 H 1 1.0250 0.0000 . 2 . . . . A 4 VAL HG23 . 36316 1
16 . 1 . 1 5 5 LYS H H 1 7.6970 0.0000 . 1 . . . . A 5 LYS H . 36316 1
17 . 1 . 1 5 5 LYS HA H 1 4.0140 0.0000 . 1 . . . . A 5 LYS HA . 36316 1
18 . 1 . 1 5 5 LYS HB2 H 1 1.9390 0.0000 . 2 . . . . A 5 LYS HB2 . 36316 1
19 . 1 . 1 5 5 LYS HB3 H 1 1.9390 0.0000 . 2 . . . . A 5 LYS HB3 . 36316 1
20 . 1 . 1 5 5 LYS HG2 H 1 1.4710 0.0000 . 2 . . . . A 5 LYS HG2 . 36316 1
21 . 1 . 1 5 5 LYS HG3 H 1 1.6000 0.0000 . 2 . . . . A 5 LYS HG3 . 36316 1
22 . 1 . 1 5 5 LYS HD2 H 1 1.7470 0.0000 . 2 . . . . A 5 LYS HD2 . 36316 1
23 . 1 . 1 5 5 LYS HD3 H 1 1.7470 0.0000 . 2 . . . . A 5 LYS HD3 . 36316 1
24 . 1 . 1 6 6 ARG H H 1 7.8110 0.0000 . 1 . . . . A 6 ARG H . 36316 1
25 . 1 . 1 6 6 ARG HA H 1 4.0580 0.0000 . 1 . . . . A 6 ARG HA . 36316 1
26 . 1 . 1 6 6 ARG HB2 H 1 1.9430 0.0000 . 2 . . . . A 6 ARG HB2 . 36316 1
27 . 1 . 1 6 6 ARG HB3 H 1 1.9430 0.0000 . 2 . . . . A 6 ARG HB3 . 36316 1
28 . 1 . 1 6 6 ARG HG2 H 1 1.6180 0.0000 . 2 . . . . A 6 ARG HG2 . 36316 1
29 . 1 . 1 6 6 ARG HG3 H 1 1.7080 0.0000 . 2 . . . . A 6 ARG HG3 . 36316 1
30 . 1 . 1 6 6 ARG HD2 H 1 3.1220 0.0000 . 2 . . . . A 6 ARG HD2 . 36316 1
31 . 1 . 1 6 6 ARG HD3 H 1 3.1220 0.0000 . 2 . . . . A 6 ARG HD3 . 36316 1
32 . 1 . 1 7 7 ILE H H 1 8.0510 0.0000 . 1 . . . . A 7 ILE H . 36316 1
33 . 1 . 1 7 7 ILE HA H 1 3.8840 0.0000 . 1 . . . . A 7 ILE HA . 36316 1
34 . 1 . 1 7 7 ILE HB H 1 1.9900 0.0000 . 1 . . . . A 7 ILE HB . 36316 1
35 . 1 . 1 7 7 ILE HG12 H 1 1.1600 0.0000 . 2 . . . . A 7 ILE HG12 . 36316 1
36 . 1 . 1 7 7 ILE HG13 H 1 1.1600 0.0000 . 2 . . . . A 7 ILE HG13 . 36316 1
37 . 1 . 1 7 7 ILE HG21 H 1 1.0120 0.0000 . 1 . . . . A 7 ILE HG21 . 36316 1
38 . 1 . 1 7 7 ILE HG22 H 1 1.0120 0.0000 . 1 . . . . A 7 ILE HG22 . 36316 1
39 . 1 . 1 7 7 ILE HG23 H 1 1.0120 0.0000 . 1 . . . . A 7 ILE HG23 . 36316 1
40 . 1 . 1 7 7 ILE HD11 H 1 0.8480 0.0000 . 1 . . . . A 7 ILE HD11 . 36316 1
41 . 1 . 1 7 7 ILE HD12 H 1 0.8480 0.0000 . 1 . . . . A 7 ILE HD12 . 36316 1
42 . 1 . 1 7 7 ILE HD13 H 1 0.8480 0.0000 . 1 . . . . A 7 ILE HD13 . 36316 1
43 . 1 . 1 8 8 LYS H H 1 8.3010 0.0000 . 1 . . . . A 8 LYS H . 36316 1
44 . 1 . 1 8 8 LYS HA H 1 3.9730 0.0000 . 1 . . . . A 8 LYS HA . 36316 1
45 . 1 . 1 8 8 LYS HB2 H 1 1.9280 0.0000 . 2 . . . . A 8 LYS HB2 . 36316 1
46 . 1 . 1 8 8 LYS HB3 H 1 1.8520 0.0000 . 2 . . . . A 8 LYS HB3 . 36316 1
47 . 1 . 1 8 8 LYS HG2 H 1 1.3960 0.0000 . 2 . . . . A 8 LYS HG2 . 36316 1
48 . 1 . 1 8 8 LYS HG3 H 1 1.3960 0.0000 . 2 . . . . A 8 LYS HG3 . 36316 1
49 . 1 . 1 8 8 LYS HD2 H 1 1.6850 0.0000 . 2 . . . . A 8 LYS HD2 . 36316 1
50 . 1 . 1 8 8 LYS HD3 H 1 1.6850 0.0000 . 2 . . . . A 8 LYS HD3 . 36316 1
51 . 1 . 1 9 9 LYS H H 1 7.8250 0.0000 . 1 . . . . A 9 LYS H . 36316 1
52 . 1 . 1 9 9 LYS HA H 1 4.0340 0.0000 . 1 . . . . A 9 LYS HA . 36316 1
53 . 1 . 1 9 9 LYS HB2 H 1 1.9410 0.0000 . 2 . . . . A 9 LYS HB2 . 36316 1
54 . 1 . 1 9 9 LYS HB3 H 1 1.9410 0.0000 . 2 . . . . A 9 LYS HB3 . 36316 1
55 . 1 . 1 9 9 LYS HG2 H 1 1.4130 0.0000 . 2 . . . . A 9 LYS HG2 . 36316 1
56 . 1 . 1 9 9 LYS HG3 H 1 1.5660 0.0000 . 2 . . . . A 9 LYS HG3 . 36316 1
57 . 1 . 1 9 9 LYS HD2 H 1 1.7090 0.0000 . 2 . . . . A 9 LYS HD2 . 36316 1
58 . 1 . 1 9 9 LYS HD3 H 1 1.7090 0.0000 . 2 . . . . A 9 LYS HD3 . 36316 1
59 . 1 . 1 10 10 TRP H H 1 8.1400 0.0000 . 1 . . . . A 10 TRP H . 36316 1
60 . 1 . 1 10 10 TRP HA H 1 4.4920 0.0000 . 1 . . . . A 10 TRP HA . 36316 1
61 . 1 . 1 10 10 TRP HB2 H 1 3.4020 0.0000 . 2 . . . . A 10 TRP HB2 . 36316 1
62 . 1 . 1 10 10 TRP HB3 H 1 3.5480 0.0000 . 2 . . . . A 10 TRP HB3 . 36316 1
63 . 1 . 1 10 10 TRP HD1 H 1 7.1940 0.0000 . 1 . . . . A 10 TRP HD1 . 36316 1
64 . 1 . 1 10 10 TRP HE1 H 1 9.8310 0.0000 . 1 . . . . A 10 TRP HE1 . 36316 1
65 . 1 . 1 10 10 TRP HE3 H 1 7.6090 0.0000 . 1 . . . . A 10 TRP HE3 . 36316 1
66 . 1 . 1 10 10 TRP HZ2 H 1 7.4390 0.0000 . 1 . . . . A 10 TRP HZ2 . 36316 1
67 . 1 . 1 10 10 TRP HZ3 H 1 7.0990 0.0000 . 1 . . . . A 10 TRP HZ3 . 36316 1
68 . 1 . 1 10 10 TRP HH2 H 1 7.1870 0.0000 . 1 . . . . A 10 TRP HH2 . 36316 1
69 . 1 . 1 11 11 LEU H H 1 8.4660 0.0000 . 1 . . . . A 11 LEU H . 36316 1
70 . 1 . 1 11 11 LEU HA H 1 4.0060 0.0000 . 1 . . . . A 11 LEU HA . 36316 1
71 . 1 . 1 11 11 LEU HB2 H 1 1.8890 0.0000 . 2 . . . . A 11 LEU HB2 . 36316 1
72 . 1 . 1 11 11 LEU HB3 H 1 1.8890 0.0000 . 2 . . . . A 11 LEU HB3 . 36316 1
73 . 1 . 1 11 11 LEU HG H 1 1.5060 0.0000 . 1 . . . . A 11 LEU HG . 36316 1
74 . 1 . 1 11 11 LEU HD11 H 1 0.8860 0.0000 . 2 . . . . A 11 LEU HD11 . 36316 1
75 . 1 . 1 11 11 LEU HD12 H 1 0.8860 0.0000 . 2 . . . . A 11 LEU HD12 . 36316 1
76 . 1 . 1 11 11 LEU HD13 H 1 0.8860 0.0000 . 2 . . . . A 11 LEU HD13 . 36316 1
77 . 1 . 1 11 11 LEU HD21 H 1 0.8860 0.0000 . 2 . . . . A 11 LEU HD21 . 36316 1
78 . 1 . 1 11 11 LEU HD22 H 1 0.8860 0.0000 . 2 . . . . A 11 LEU HD22 . 36316 1
79 . 1 . 1 11 11 LEU HD23 H 1 0.8860 0.0000 . 2 . . . . A 11 LEU HD23 . 36316 1
80 . 1 . 1 12 12 ARG H H 1 7.7690 0.0000 . 1 . . . . A 12 ARG H . 36316 1
81 . 1 . 1 12 12 ARG HA H 1 4.1790 0.0000 . 1 . . . . A 12 ARG HA . 36316 1
82 . 1 . 1 12 12 ARG HB2 H 1 1.9120 0.0000 . 2 . . . . A 12 ARG HB2 . 36316 1
83 . 1 . 1 12 12 ARG HB3 H 1 1.9620 0.0000 . 2 . . . . A 12 ARG HB3 . 36316 1
84 . 1 . 1 12 12 ARG HG2 H 1 1.7120 0.0000 . 2 . . . . A 12 ARG HG2 . 36316 1
85 . 1 . 1 12 12 ARG HG3 H 1 1.8330 0.0000 . 2 . . . . A 12 ARG HG3 . 36316 1
86 . 1 . 1 12 12 ARG HD2 H 1 3.1900 0.0000 . 2 . . . . A 12 ARG HD2 . 36316 1
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