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 30344
_Assigned_chem_shift_list.ID 1
_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 '2D 1H-13C HSQC' . . . 30344 1
2 '2D 1H-1H TOCSY 80' . . . 30344 1
3 '2D 1H-1H TOCSY 20' . . . 30344 1
4 '2D DQF-COSY' . . . 30344 1
5 '2D 1H-1H ROESY' . . . 30344 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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 HA2 H 1 3.620 0.002 . 2 . . 49 . A 1 GLY HA2 . 30344 1
2 . 1 1 1 1 GLY HA3 H 1 3.798 0.001 . 2 . . 50 . A 1 GLY HA3 . 30344 1
3 . 1 1 1 1 GLY H H 1 7.472 0.001 . 1 . . 48 . A 1 GLY H . 30344 1
4 . 1 1 1 1 GLY CA C 13 46.217 0.013 . 1 . . 73 . A 1 GLY CA . 30344 1
5 . 1 1 2 2 SER H H 1 8.171 0.001 . 1 . . 51 . A 2 SER H . 30344 1
6 . 1 1 2 2 SER HA H 1 4.523 0.001 . 1 . . 52 . A 2 SER HA . 30344 1
7 . 1 1 2 2 SER HB2 H 1 3.749 0.001 . 1 . . 53 . A 2 SER HB2 . 30344 1
8 . 1 1 2 2 SER CA C 13 57.091 . . 1 . . 68 . A 2 SER CA . 30344 1
9 . 1 1 2 2 SER CB C 13 63.921 . . 1 . . 75 . A 2 SER CB . 30344 1
10 . 1 1 3 3 PRO HA H 1 4.582 0.001 . 1 . . 59 . A 3 PRO HA . 30344 1
11 . 1 1 3 3 PRO HB2 H 1 2.149 0.004 . 2 . . 58 . A 3 PRO HB2 . 30344 1
12 . 1 1 3 3 PRO HB3 H 1 2.183 . . 2 . . 60 . A 3 PRO HB3 . 30344 1
13 . 1 1 3 3 PRO HG2 H 1 1.949 0.002 . 2 . . 39 . A 3 PRO HG2 . 30344 1
14 . 1 1 3 3 PRO HG3 H 1 1.656 0.005 . 2 . . 57 . A 3 PRO HG3 . 30344 1
15 . 1 1 3 3 PRO HD2 H 1 3.486 0.004 . 2 . . 38 . A 3 PRO HD2 . 30344 1
16 . 1 1 3 3 PRO HD3 H 1 3.567 0.003 . 2 . . 40 . A 3 PRO HD3 . 30344 1
17 . 1 1 3 3 PRO CA C 13 63.999 . . 1 . . 67 . A 3 PRO CA . 30344 1
18 . 1 1 3 3 PRO CB C 13 33.876 . . 1 . . 78 . A 3 PRO CB . 30344 1
19 . 1 1 3 3 PRO CG C 13 24.245 . . 1 . . 81 . A 3 PRO CG . 30344 1
20 . 1 1 3 3 PRO CD C 13 50.284 . . 1 . . 83 . A 3 PRO CD . 30344 1
21 . 1 1 4 4 LEU H H 1 8.139 0.001 . 1 . . 32 . A 4 LEU H . 30344 1
22 . 1 1 4 4 LEU HA H 1 4.484 0.004 . 1 . . 33 . A 4 LEU HA . 30344 1
23 . 1 1 4 4 LEU HB2 H 1 1.638 0.001 . 1 . . 45 . A 4 LEU HB2 . 30344 1
24 . 1 1 4 4 LEU HG H 1 1.449 0.001 . 1 . . 46 . A 4 LEU HG . 30344 1
25 . 1 1 4 4 LEU HD11 H 1 0.803 0.0 . 1 . . 47 . A 4 LEU HD11 . 30344 1
26 . 1 1 4 4 LEU HD12 H 1 0.803 0.0 . 1 . . 47 . A 4 LEU HD12 . 30344 1
27 . 1 1 4 4 LEU HD13 H 1 0.803 0.0 . 1 . . 47 . A 4 LEU HD13 . 30344 1
28 . 1 1 4 4 LEU CA C 13 54.771 . . 1 . . 69 . A 4 LEU CA . 30344 1
29 . 1 1 4 4 LEU CB C 13 42.670 . . 1 . . 76 . A 4 LEU CB . 30344 1
30 . 1 1 4 4 LEU CG C 13 27.304 . . 1 . . 80 . A 4 LEU CG . 30344 1
31 . 1 1 4 4 LEU CD1 C 13 24.908 . . 1 . . 82 . A 4 LEU CD1 . 30344 1
32 . 1 1 5 5 PHE H H 1 8.467 0.001 . 1 . . 34 . A 5 PHE H . 30344 1
33 . 1 1 5 5 PHE HA H 1 4.267 0.003 . 1 . . 35 . A 5 PHE HA . 30344 1
34 . 1 1 5 5 PHE HB2 H 1 3.069 0.001 . 2 . . 36 . A 5 PHE HB2 . 30344 1
35 . 1 1 5 5 PHE HB3 H 1 2.967 0.004 . 2 . . 37 . A 5 PHE HB3 . 30344 1
36 . 1 1 5 5 PHE HD1 H 1 7.181 0.005 . 1 . . 54 . A 5 PHE HD1 . 30344 1
37 . 1 1 5 5 PHE HD2 H 1 7.181 0.005 . 1 . . 54 . A 5 PHE HD2 . 30344 1
38 . 1 1 5 5 PHE CA C 13 59.546 . . 1 . . 71 . A 5 PHE CA . 30344 1
39 . 1 1 5 5 PHE CB C 13 40.447 0.027 . 1 . . 74 . A 5 PHE CB . 30344 1
40 . 1 1 6 6 ASP H H 1 8.299 0.001 . 1 . . 41 . A 6 ASP H . 30344 1
41 . 1 1 6 6 ASP HA H 1 4.355 0.001 . 1 . . 42 . A 6 ASP HA . 30344 1
42 . 1 1 6 6 ASP HB2 H 1 2.644 0.0 . 2 . . 43 . A 6 ASP HB2 . 30344 1
43 . 1 1 6 6 ASP HB3 H 1 2.697 0.0 . 2 . . 44 . A 6 ASP HB3 . 30344 1
44 . 1 1 6 6 ASP CA C 13 52.941 . . 1 . . 70 . A 6 ASP CA . 30344 1
45 . 1 1 6 6 ASP CB C 13 37.059 . . 1 . . 77 . A 6 ASP CB . 30344 1
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save_