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 30447
_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-1H TOCSY' . . . 30447 1
2 '2D 1H-13C HSQC aliphatic' . . . 30447 1
3 '2D 1H-13C HSQC aromatic' . . . 30447 1
4 '2D 1H-1H NOESY' . . . 30447 1
5 '2D 1H-1H TOCSY' . . . 30447 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 HIS HA H 1 4.213 . . . . . . . A 1 HIS HA . 30447 1
2 . 1 1 1 1 HIS HB2 H 1 3.224 . . . . . . . A 1 HIS HB2 . 30447 1
3 . 1 1 1 1 HIS HB3 H 1 3.224 . . . . . . . A 1 HIS HB3 . 30447 1
4 . 1 1 1 1 HIS HD2 H 1 7.085 . . . . . . . A 1 HIS HD2 . 30447 1
5 . 1 1 1 1 HIS HE1 H 1 8.417 . . . . . . . A 1 HIS HE1 . 30447 1
6 . 1 1 1 1 HIS CA C 13 48.922 . . . . . . . A 1 HIS CA . 30447 1
7 . 1 1 1 1 HIS CB C 13 34.957 . . . . . . . A 1 HIS CB . 30447 1
8 . 1 1 1 1 HIS CD2 C 13 115.636 . . . . . . . A 1 HIS CD2 . 30447 1
9 . 1 1 1 1 HIS CE1 C 13 139.555 . . . . . . . A 1 HIS CE1 . 30447 1
10 . 1 1 2 2 ARG H H 1 8.674 . . . . . . . A 2 ARG H . 30447 1
11 . 1 1 2 2 ARG HA H 1 4.335 . . . . . . . A 2 ARG HA . 30447 1
12 . 1 1 2 2 ARG HB2 H 1 1.681 . . . . . . . A 2 ARG HB2 . 30447 1
13 . 1 1 2 2 ARG HB3 H 1 1.681 . . . . . . . A 2 ARG HB3 . 30447 1
14 . 1 1 2 2 ARG HG2 H 1 1.550 . . . . . . . A 2 ARG HG2 . 30447 1
15 . 1 1 2 2 ARG HG3 H 1 1.550 . . . . . . . A 2 ARG HG3 . 30447 1
16 . 1 1 2 2 ARG HD2 H 1 3.116 . . . . . . . A 2 ARG HD2 . 30447 1
17 . 1 1 2 2 ARG HD3 H 1 3.116 . . . . . . . A 2 ARG HD3 . 30447 1
18 . 1 1 2 2 ARG HE H 1 7.116 . . . . . . . A 2 ARG HE . 30447 1
19 . 1 1 2 2 ARG CA C 13 49.593 . . . . . . . A 2 ARG CA . 30447 1
20 . 1 1 2 2 ARG CB C 13 35.927 . . . . . . . A 2 ARG CB . 30447 1
21 . 1 1 2 2 ARG CG C 13 42.388 . . . . . . . A 2 ARG CG . 30447 1
22 . 1 1 2 2 ARG CD C 13 42.577 . . . . . . . A 2 ARG CD . 30447 1
23 . 1 1 3 3 PHE H H 1 8.620 . . . . . . . A 3 PHE H . 30447 1
24 . 1 1 3 3 PHE HA H 1 4.603 . . . . . . . A 3 PHE HA . 30447 1
25 . 1 1 3 3 PHE HB2 H 1 3.048 . . . . . . . A 3 PHE HB2 . 30447 1
26 . 1 1 3 3 PHE HB3 H 1 2.991 . . . . . . . A 3 PHE HB3 . 30447 1
27 . 1 1 3 3 PHE HD1 H 1 7.229 . . . . . . . A 3 PHE HD1 . 30447 1
28 . 1 1 3 3 PHE HD2 H 1 7.229 . . . . . . . A 3 PHE HD2 . 30447 1
29 . 1 1 3 3 PHE HE1 H 1 7.229 . . . . . . . A 3 PHE HE1 . 30447 1
30 . 1 1 3 3 PHE HE2 H 1 7.229 . . . . . . . A 3 PHE HE2 . 30447 1
31 . 1 1 3 3 PHE HZ H 1 7.298 . . . . . . . A 3 PHE HZ . 30447 1
32 . 1 1 3 3 PHE CA C 13 50.341 . . . . . . . A 3 PHE CA . 30447 1
33 . 1 1 3 3 PHE CB C 13 40.705 . . . . . . . A 3 PHE CB . 30447 1
34 . 1 1 3 3 PHE CD1 C 13 131.360 . . . . . . . A 3 PHE CD1 . 30447 1
35 . 1 1 3 3 PHE CD2 C 13 131.360 . . . . . . . A 3 PHE CD2 . 30447 1
36 . 1 1 3 3 PHE CE1 C 13 128.625 . . . . . . . A 3 PHE CE1 . 30447 1
37 . 1 1 3 3 PHE CE2 C 13 128.625 . . . . . . . A 3 PHE CE2 . 30447 1
38 . 1 1 3 3 PHE CZ C 13 130.706 . . . . . . . A 3 PHE CZ . 30447 1
39 . 1 1 4 4 LEU H H 1 8.262 . . . . . . . A 4 LEU H . 30447 1
40 . 1 1 4 4 LEU HA H 1 4.315 . . . . . . . A 4 LEU HA . 30447 1
41 . 1 1 4 4 LEU HB2 H 1 1.446 . . . . . . . A 4 LEU HB2 . 30447 1
42 . 1 1 4 4 LEU HB3 H 1 1.446 . . . . . . . A 4 LEU HB3 . 30447 1
43 . 1 1 4 4 LEU HG H 1 1.489 . . . . . . . A 4 LEU HG . 30447 1
44 . 1 1 4 4 LEU HD11 H 1 0.778 . . . . . . . A 4 LEU HD11 . 30447 1
45 . 1 1 4 4 LEU HD12 H 1 0.778 . . . . . . . A 4 LEU HD11 . 30447 1
46 . 1 1 4 4 LEU HD13 H 1 0.778 . . . . . . . A 4 LEU HD11 . 30447 1
47 . 1 1 4 4 LEU HD21 H 1 0.841 . . . . . . . A 4 LEU HD21 . 30447 1
48 . 1 1 4 4 LEU HD22 H 1 0.841 . . . . . . . A 4 LEU HD21 . 30447 1
49 . 1 1 4 4 LEU HD23 H 1 0.841 . . . . . . . A 4 LEU HD21 . 30447 1
50 . 1 1 4 4 LEU CA C 13 48.744 . . . . . . . A 4 LEU CA . 30447 1
51 . 1 1 4 4 LEU CB C 13 42.405 . . . . . . . A 4 LEU CB . 30447 1
52 . 1 1 4 4 LEU CG C 13 33.567 . . . . . . . A 4 LEU CG . 30447 1
53 . 1 1 4 4 LEU CD1 C 13 31.832 . . . . . . . A 4 LEU CD1 . 30447 1
54 . 1 1 4 4 LEU CD2 C 13 32.515 . . . . . . . A 4 LEU CD2 . 30447 1
55 . 1 1 5 5 ARG H H 1 8.294 . . . . . . . A 5 ARG H . 30447 1
56 . 1 1 5 5 ARG HA H 1 4.190 . . . . . . . A 5 ARG HA . 30447 1
57 . 1 1 5 5 ARG HB2 H 1 1.757 . . . . . . . A 5 ARG HB2 . 30447 1
58 . 1 1 5 5 ARG HB3 H 1 1.702 . . . . . . . A 5 ARG HB3 . 30447 1
59 . 1 1 5 5 ARG HG2 H 1 1.591 . . . . . . . A 5 ARG HG2 . 30447 1
60 . 1 1 5 5 ARG HG3 H 1 1.531 . . . . . . . A 5 ARG HG3 . 30447 1
61 . 1 1 5 5 ARG HD2 H 1 3.162 . . . . . . . A 5 ARG HD2 . 30447 1
62 . 1 1 5 5 ARG HD3 H 1 3.162 . . . . . . . A 5 ARG HD3 . 30447 1
63 . 1 1 5 5 ARG HE H 1 7.179 . . . . . . . A 5 ARG HE . 30447 1
64 . 1 1 5 5 ARG CA C 13 49.592 . . . . . . . A 5 ARG CA . 30447 1
65 . 1 1 5 5 ARG CB C 13 35.878 . . . . . . . A 5 ARG CB . 30447 1
66 . 1 1 5 5 ARG CG C 13 33.720 . . . . . . . A 5 ARG CG . 30447 1
67 . 1 1 5 5 ARG CD C 13 42.585 . . . . . . . A 5 ARG CD . 30447 1
68 . 1 1 6 6 HIS H H 1 8.567 . . . . . . . A 6 HIS H . 30447 1
69 . 1 1 6 6 HIS HA H 1 4.623 . . . . . . . A 6 HIS HA . 30447 1
70 . 1 1 6 6 HIS HB2 H 1 3.225 . . . . . . . A 6 HIS HB2 . 30447 1
71 . 1 1 6 6 HIS HB3 H 1 3.134 . . . . . . . A 6 HIS HB3 . 30447 1
72 . 1 1 6 6 HIS HD2 H 1 7.286 . . . . . . . A 6 HIS HD2 . 30447 1
73 . 1 1 6 6 HIS HE1 H 1 8.562 . . . . . . . A 6 HIS HE1 . 30447 1
74 . 1 1 6 6 HIS CA C 13 48.955 . . . . . . . A 6 HIS CA . 30447 1
75 . 1 1 6 6 HIS CB C 13 34.908 . . . . . . . A 6 HIS CB . 30447 1
76 . 1 1 6 6 HIS CD2 C 13 114.267 . . . . . . . A 6 HIS CD2 . 30447 1
77 . 1 1 6 6 HIS CE1 C 13 138.183 . . . . . . . A 6 HIS CE1 . 30447 1
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