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 30883
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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 '2D 1H-1H TOCSY' . . . 30883 1
2 '2D 1H-1H NOESY' . . . 30883 1
3 '2D 1H-13C HSQC' . . . 30883 1
4 '2D 1H-15N HSQC' . . . 30883 1
5 '2D 1H-1H TOCSY' . . . 30883 1
6 '2D 1H-1H TOCSY' . . . 30883 1
7 '2D 1H-1H TOCSY' . . . 30883 1
8 '2D 1H-1H TOCSY' . . . 30883 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 1 1 GLY H H 1 8.000 0.000 . . . . . A A 1 GLY H1 . 30883 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.897 0.000 . . . . . A A 1 GLY HA2 . 30883 1
3 . 1 . 1 1 1 GLY CA C 13 45.150 0.000 . . . . . A A 1 GLY CA . 30883 1
4 . 1 . 1 1 1 GLY N N 15 109.998 0.000 . . . . . A A 1 GLY N . 30883 1
5 . 1 . 1 2 2 LEU H H 1 8.301 0.000 . . . . . A A 2 LEU H . 30883 1
6 . 1 . 1 2 2 LEU HA H 1 4.647 0.001 . . . . . A A 2 LEU HA . 30883 1
7 . 1 . 1 2 2 LEU HB2 H 1 1.662 0.000 . . . . . A A 2 LEU HB2 . 30883 1
8 . 1 . 1 2 2 LEU HB3 H 1 1.540 0.000 . . . . . A A 2 LEU HB3 . 30883 1
9 . 1 . 1 2 2 LEU HG H 1 1.640 0.000 . . . . . A A 2 LEU HG . 30883 1
10 . 1 . 1 2 2 LEU HD11 H 1 0.959 0.000 . . . . . A A 2 LEU HD11 . 30883 1
11 . 1 . 1 2 2 LEU HD12 H 1 0.959 0.000 . . . . . A A 2 LEU HD12 . 30883 1
12 . 1 . 1 2 2 LEU HD13 H 1 0.959 0.000 . . . . . A A 2 LEU HD13 . 30883 1
13 . 1 . 1 2 2 LEU HD21 H 1 0.934 0.000 . . . . . A A 2 LEU HD21 . 30883 1
14 . 1 . 1 2 2 LEU HD22 H 1 0.934 0.000 . . . . . A A 2 LEU HD22 . 30883 1
15 . 1 . 1 2 2 LEU HD23 H 1 0.934 0.000 . . . . . A A 2 LEU HD23 . 30883 1
16 . 1 . 1 2 2 LEU CB C 13 41.333 0.000 . . . . . A A 2 LEU CB . 30883 1
17 . 1 . 1 2 2 LEU CG C 13 27.000 0.000 . . . . . A A 2 LEU CG . 30883 1
18 . 1 . 1 2 2 LEU CD1 C 13 24.731 0.000 . . . . . A A 2 LEU CD1 . 30883 1
19 . 1 . 1 2 2 LEU CD2 C 13 23.800 0.000 . . . . . A A 2 LEU CD2 . 30883 1
20 . 1 . 1 2 2 LEU N N 15 125.351 0.000 . . . . . A A 2 LEU N . 30883 1
21 . 1 . 1 3 3 PRO HA H 1 4.373 0.000 . . . . . A A 3 PRO HA . 30883 1
22 . 1 . 1 3 3 PRO HB2 H 1 2.290 0.000 . . . . . A A 3 PRO HB2 . 30883 1
23 . 1 . 1 3 3 PRO HB3 H 1 1.772 0.000 . . . . . A A 3 PRO HB3 . 30883 1
24 . 1 . 1 3 3 PRO HG2 H 1 2.084 0.000 . . . . . A A 3 PRO HG2 . 30883 1
25 . 1 . 1 3 3 PRO HG3 H 1 2.023 0.000 . . . . . A A 3 PRO HG3 . 30883 1
26 . 1 . 1 3 3 PRO HD2 H 1 3.786 0.000 . . . . . A A 3 PRO HD2 . 30883 1
27 . 1 . 1 3 3 PRO HD3 H 1 3.644 0.000 . . . . . A A 3 PRO HD3 . 30883 1
28 . 1 . 1 3 3 PRO CA C 13 62.162 0.000 . . . . . A A 3 PRO CA . 30883 1
29 . 1 . 1 3 3 PRO CB C 13 30.568 0.000 . . . . . A A 3 PRO CB . 30883 1
30 . 1 . 1 3 3 PRO CG C 13 27.524 0.000 . . . . . A A 3 PRO CG . 30883 1
31 . 1 . 1 3 3 PRO CD C 13 50.045 0.000 . . . . . A A 3 PRO CD . 30883 1
32 . 1 . 1 4 4 PRO HA H 1 4.474 0.000 . . . . . A A 4 PRO HA . 30883 1
33 . 1 . 1 4 4 PRO HB2 H 1 2.054 0.000 . . . . . A A 4 PRO HB2 . 30883 1
34 . 1 . 1 4 4 PRO HB3 H 1 1.974 0.000 . . . . . A A 4 PRO HB3 . 30883 1
35 . 1 . 1 4 4 PRO HG2 H 1 1.654 0.000 . . . . . A A 4 PRO HG2 . 30883 1
36 . 1 . 1 4 4 PRO HG3 H 1 0.767 0.000 . . . . . A A 4 PRO HG3 . 30883 1
37 . 1 . 1 4 4 PRO HD2 H 1 3.295 0.000 . . . . . A A 4 PRO HD2 . 30883 1
38 . 1 . 1 4 4 PRO HD3 H 1 3.030 0.005 . . . . . A A 4 PRO HD3 . 30883 1
39 . 1 . 1 4 4 PRO CA C 13 63.383 0.000 . . . . . A A 4 PRO CA . 30883 1
40 . 1 . 1 4 4 PRO CB C 13 33.522 0.000 . . . . . A A 4 PRO CB . 30883 1
41 . 1 . 1 4 4 PRO CG C 13 23.603 0.000 . . . . . A A 4 PRO CG . 30883 1
42 . 1 . 1 4 4 PRO CD C 13 49.360 0.000 . . . . . A A 4 PRO CD . 30883 1
43 . 1 . 1 5 5 TYR H H 1 8.683 0.000 . . . . . A A 5 TYR H . 30883 1
44 . 1 . 1 5 5 TYR HA H 1 4.464 0.000 . . . . . A A 5 TYR HA . 30883 1
45 . 1 . 1 5 5 TYR HB2 H 1 3.150 0.000 . . . . . A A 5 TYR HB2 . 30883 1
46 . 1 . 1 5 5 TYR HB3 H 1 3.006 0.000 . . . . . A A 5 TYR HB3 . 30883 1
47 . 1 . 1 5 5 TYR HD1 H 1 7.240 0.006 . . . . . A A 5 TYR HD1 . 30883 1
48 . 1 . 1 5 5 TYR HD2 H 1 7.240 0.006 . . . . . A A 5 TYR HD2 . 30883 1
49 . 1 . 1 5 5 TYR CA C 13 59.013 0.000 . . . . . A A 5 TYR CA . 30883 1
50 . 1 . 1 5 5 TYR CB C 13 38.099 0.000 . . . . . A A 5 TYR CB . 30883 1
51 . 1 . 1 5 5 TYR N N 15 126.264 0.000 . . . . . A A 5 TYR N . 30883 1
52 . 1 . 1 6 6 VAL H H 1 8.145 0.006 . . . . . A A 6 VAL H . 30883 1
53 . 1 . 1 6 6 VAL HA H 1 4.060 0.000 . . . . . A A 6 VAL HA . 30883 1
54 . 1 . 1 6 6 VAL HB H 1 2.087 0.000 . . . . . A A 6 VAL HB . 30883 1
55 . 1 . 1 6 6 VAL HG11 H 1 0.987 0.000 . . . . . A A 6 VAL HG11 . 30883 1
56 . 1 . 1 6 6 VAL HG12 H 1 0.987 0.000 . . . . . A A 6 VAL HG12 . 30883 1
57 . 1 . 1 6 6 VAL HG13 H 1 0.987 0.000 . . . . . A A 6 VAL HG13 . 30883 1
58 . 1 . 1 6 6 VAL HG21 H 1 0.947 0.000 . . . . . A A 6 VAL HG21 . 30883 1
59 . 1 . 1 6 6 VAL HG22 H 1 0.947 0.000 . . . . . A A 6 VAL HG22 . 30883 1
60 . 1 . 1 6 6 VAL HG23 H 1 0.947 0.000 . . . . . A A 6 VAL HG23 . 30883 1
61 . 1 . 1 6 6 VAL CA C 13 62.538 0.000 . . . . . A A 6 VAL CA . 30883 1
62 . 1 . 1 6 6 VAL CB C 13 33.148 0.000 . . . . . A A 6 VAL CB . 30883 1
63 . 1 . 1 6 6 VAL CG1 C 13 20.833 0.000 . . . . . A A 6 VAL CG1 . 30883 1
64 . 1 . 1 6 6 VAL CG2 C 13 20.872 0.000 . . . . . A A 6 VAL CG2 . 30883 1
65 . 1 . 1 6 6 VAL N N 15 120.150 0.000 . . . . . A A 6 VAL N . 30883 1
66 . 1 . 1 7 7 ASP H H 1 8.561 0.000 . . . . . A A 7 ASP H . 30883 1
67 . 1 . 1 7 7 ASP HA H 1 4.555 0.000 . . . . . A A 7 ASP HA . 30883 1
68 . 1 . 1 7 7 ASP HB2 H 1 2.957 0.000 . . . . . A A 7 ASP HB2 . 30883 1
69 . 1 . 1 7 7 ASP HB3 H 1 2.847 0.000 . . . . . A A 7 ASP HB3 . 30883 1
70 . 1 . 1 7 7 ASP CA C 13 53.879 0.000 . . . . . A A 7 ASP CA . 30883 1
71 . 1 . 1 7 7 ASP CB C 13 37.449 0.000 . . . . . A A 7 ASP CB . 30883 1
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save_