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 30887
_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' . . . 30887 1
2 '2D 1H-1H NOESY' . . . 30887 1
3 '2D 1H-13C HSQC' . . . 30887 1
4 '2D 1H-15N HSQC' . . . 30887 1
5 '2D 1H-1H TOCSY' . . . 30887 1
6 '2D 1H-1H TOCSY' . . . 30887 1
7 '2D 1H-1H TOCSY' . . . 30887 1
8 '2D 1H-1H TOCSY' . . . 30887 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 7.657 0.000 . . . . . A A 1 GLY H1 . 30887 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.407 0.000 . . . . . A A 1 GLY HA2 . 30887 1
3 . 1 . 1 1 1 GLY CA C 13 43.822 0.000 . . . . . A A 1 GLY CA . 30887 1
4 . 1 . 1 1 1 GLY N N 15 106.176 0.000 . . . . . A A 1 GLY N . 30887 1
5 . 1 . 1 2 2 TYR H H 1 7.373 0.000 . . . . . A A 2 TYR H . 30887 1
6 . 1 . 1 2 2 TYR HA H 1 4.507 0.000 . . . . . A A 2 TYR HA . 30887 1
7 . 1 . 1 2 2 TYR HB2 H 1 2.856 0.000 . . . . . A A 2 TYR HB2 . 30887 1
8 . 1 . 1 2 2 TYR HB3 H 1 2.856 0.000 . . . . . A A 2 TYR HB3 . 30887 1
9 . 1 . 1 2 2 TYR HD1 H 1 7.089 0.000 . . . . . A A 2 TYR HD1 . 30887 1
10 . 1 . 1 2 2 TYR HD2 H 1 7.089 0.000 . . . . . A A 2 TYR HD2 . 30887 1
11 . 1 . 1 2 2 TYR HE1 H 1 6.730 0.006 . . . . . A A 2 TYR HE1 . 30887 1
12 . 1 . 1 2 2 TYR HE2 H 1 6.730 0.006 . . . . . A A 2 TYR HE2 . 30887 1
13 . 1 . 1 2 2 TYR CA C 13 56.290 0.000 . . . . . A A 2 TYR CA . 30887 1
14 . 1 . 1 2 2 TYR CB C 13 36.979 0.000 . . . . . A A 2 TYR CB . 30887 1
15 . 1 . 1 2 2 TYR N N 15 114.831 0.000 . . . . . A A 2 TYR N . 30887 1
16 . 1 . 1 3 3 ILE H H 1 7.345 0.000 . . . . . A A 3 ILE H . 30887 1
17 . 1 . 1 3 3 ILE HA H 1 3.949 0.000 . . . . . A A 3 ILE HA . 30887 1
18 . 1 . 1 3 3 ILE HB H 1 2.076 0.000 . . . . . A A 3 ILE HB . 30887 1
19 . 1 . 1 3 3 ILE HG12 H 1 1.457 0.000 . . . . . A A 3 ILE HG12 . 30887 1
20 . 1 . 1 3 3 ILE HG13 H 1 1.098 0.000 . . . . . A A 3 ILE HG13 . 30887 1
21 . 1 . 1 3 3 ILE HG21 H 1 0.943 0.000 . . . . . A A 3 ILE HG21 . 30887 1
22 . 1 . 1 3 3 ILE HG22 H 1 0.943 0.000 . . . . . A A 3 ILE HG22 . 30887 1
23 . 1 . 1 3 3 ILE HG23 H 1 0.943 0.000 . . . . . A A 3 ILE HG23 . 30887 1
24 . 1 . 1 3 3 ILE HD11 H 1 0.861 0.000 . . . . . A A 3 ILE HD11 . 30887 1
25 . 1 . 1 3 3 ILE HD12 H 1 0.861 0.000 . . . . . A A 3 ILE HD12 . 30887 1
26 . 1 . 1 3 3 ILE HD13 H 1 0.861 0.000 . . . . . A A 3 ILE HD13 . 30887 1
27 . 1 . 1 3 3 ILE CA C 13 60.314 0.000 . . . . . A A 3 ILE CA . 30887 1
28 . 1 . 1 3 3 ILE CB C 13 35.925 0.000 . . . . . A A 3 ILE CB . 30887 1
29 . 1 . 1 3 3 ILE CG1 C 13 25.056 0.000 . . . . . A A 3 ILE CG1 . 30887 1
30 . 1 . 1 3 3 ILE CG2 C 13 15.192 0.000 . . . . . A A 3 ILE CG2 . 30887 1
31 . 1 . 1 3 3 ILE CD1 C 13 10.031 0.000 . . . . . A A 3 ILE CD1 . 30887 1
32 . 1 . 1 3 3 ILE N N 15 114.270 0.000 . . . . . A A 3 ILE N . 30887 1
33 . 1 . 1 4 4 THR H H 1 7.561 0.000 . . . . . A A 4 THR H . 30887 1
34 . 1 . 1 4 4 THR HA H 1 4.865 0.000 . . . . . A A 4 THR HA . 30887 1
35 . 1 . 1 4 4 THR HB H 1 4.478 0.000 . . . . . A A 4 THR HB . 30887 1
36 . 1 . 1 4 4 THR HG21 H 1 1.234 0.000 . . . . . A A 4 THR HG21 . 30887 1
37 . 1 . 1 4 4 THR HG22 H 1 1.234 0.000 . . . . . A A 4 THR HG22 . 30887 1
38 . 1 . 1 4 4 THR HG23 H 1 1.234 0.000 . . . . . A A 4 THR HG23 . 30887 1
39 . 1 . 1 4 4 THR CA C 13 55.387 0.000 . . . . . A A 4 THR CA . 30887 1
40 . 1 . 1 4 4 THR CB C 13 67.650 0.000 . . . . . A A 4 THR CB . 30887 1
41 . 1 . 1 4 4 THR CG2 C 13 19.036 0.000 . . . . . A A 4 THR CG2 . 30887 1
42 . 1 . 1 4 4 THR N N 15 105.391 0.000 . . . . . A A 4 THR N . 30887 1
43 . 1 . 1 5 5 PRO HA H 1 4.266 0.000 . . . . . A A 5 PRO HA . 30887 1
44 . 1 . 1 5 5 PRO HB2 H 1 2.341 0.000 . . . . . A A 5 PRO HB2 . 30887 1
45 . 1 . 1 5 5 PRO HB3 H 1 1.819 0.000 . . . . . A A 5 PRO HB3 . 30887 1
46 . 1 . 1 5 5 PRO HG2 H 1 2.019 0.007 . . . . . A A 5 PRO HG2 . 30887 1
47 . 1 . 1 5 5 PRO HG3 H 1 1.950 0.005 . . . . . A A 5 PRO HG3 . 30887 1
48 . 1 . 1 5 5 PRO HD2 H 1 3.807 0.000 . . . . . A A 5 PRO HD2 . 30887 1
49 . 1 . 1 5 5 PRO HD3 H 1 3.753 0.000 . . . . . A A 5 PRO HD3 . 30887 1
50 . 1 . 1 5 5 PRO CA C 13 62.038 0.000 . . . . . A A 5 PRO CA . 30887 1
51 . 1 . 1 5 5 PRO CB C 13 29.257 0.000 . . . . . A A 5 PRO CB . 30887 1
52 . 1 . 1 5 5 PRO CG C 13 25.033 0.000 . . . . . A A 5 PRO CG . 30887 1
53 . 1 . 1 5 5 PRO CD C 13 47.982 0.000 . . . . . A A 5 PRO CD . 30887 1
54 . 1 . 1 6 6 LEU H H 1 6.880 0.000 . . . . . A A 6 LEU H . 30887 1
55 . 1 . 1 6 6 LEU HA H 1 4.130 0.000 . . . . . A A 6 LEU HA . 30887 1
56 . 1 . 1 6 6 LEU HB2 H 1 1.681 0.000 . . . . . A A 6 LEU HB2 . 30887 1
57 . 1 . 1 6 6 LEU HB3 H 1 1.681 0.000 . . . . . A A 6 LEU HB3 . 30887 1
58 . 1 . 1 6 6 LEU HG H 1 1.533 0.000 . . . . . A A 6 LEU HG . 30887 1
59 . 1 . 1 6 6 LEU HD11 H 1 0.959 0.000 . . . . . A A 6 LEU HD11 . 30887 1
60 . 1 . 1 6 6 LEU HD12 H 1 0.959 0.000 . . . . . A A 6 LEU HD12 . 30887 1
61 . 1 . 1 6 6 LEU HD13 H 1 0.959 0.000 . . . . . A A 6 LEU HD13 . 30887 1
62 . 1 . 1 6 6 LEU HD21 H 1 0.900 0.000 . . . . . A A 6 LEU HD21 . 30887 1
63 . 1 . 1 6 6 LEU HD22 H 1 0.900 0.000 . . . . . A A 6 LEU HD22 . 30887 1
64 . 1 . 1 6 6 LEU HD23 H 1 0.900 0.000 . . . . . A A 6 LEU HD23 . 30887 1
65 . 1 . 1 6 6 LEU CA C 13 53.197 0.000 . . . . . A A 6 LEU CA . 30887 1
66 . 1 . 1 6 6 LEU CB C 13 39.703 0.000 . . . . . A A 6 LEU CB . 30887 1
67 . 1 . 1 6 6 LEU CG C 13 24.620 0.000 . . . . . A A 6 LEU CG . 30887 1
68 . 1 . 1 6 6 LEU CD1 C 13 22.002 0.000 . . . . . A A 6 LEU CD1 . 30887 1
69 . 1 . 1 6 6 LEU CD2 C 13 20.706 0.000 . . . . . A A 6 LEU CD2 . 30887 1
70 . 1 . 1 6 6 LEU N N 15 109.539 0.000 . . . . . A A 6 LEU N . 30887 1
71 . 1 . 1 7 7 ASP H H 1 7.200 0.000 . . . . . A A 7 ASP H . 30887 1
72 . 1 . 1 7 7 ASP HA H 1 4.880 0.000 . . . . . A A 7 ASP HA . 30887 1
73 . 1 . 1 7 7 ASP HB2 H 1 3.156 0.000 . . . . . A A 7 ASP HB2 . 30887 1
74 . 1 . 1 7 7 ASP HB3 H 1 2.720 0.000 . . . . . A A 7 ASP HB3 . 30887 1
75 . 1 . 1 7 7 ASP CA C 13 48.681 0.000 . . . . . A A 7 ASP CA . 30887 1
76 . 1 . 1 7 7 ASP CB C 13 36.938 0.000 . . . . . A A 7 ASP CB . 30887 1
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save_