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 31029
_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 $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 '1D 1H NMR' . . . 31029 1
2 '2D COSY' . . . 31029 1
3 '2D TOCSY' . . . 31029 1
4 '2D ROESY' . . . 31029 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 ACE H1 H 1 2.06 0.01 . 1 . . . . A 1 ACE H1 . 31029 1
2 . 1 . 1 2 2 GLY H H 1 8.32 0.01 . 5 . . . . A 2 GLY H . 31029 1
3 . 1 . 1 2 2 GLY HA2 H 1 3.91 0.01 . 2 . . . . A 2 GLY HA2 . 31029 1
4 . 1 . 1 2 2 GLY HA3 H 1 3.91 0.01 . 2 . . . . A 2 GLY HA3 . 31029 1
5 . 1 . 1 3 3 ASN H H 1 8.39 0.01 . 1 . . . . A 3 ASN H . 31029 1
6 . 1 . 1 3 3 ASN HA H 1 4.68 0.01 . 5 . . . . A 3 ASN HA . 31029 1
7 . 1 . 1 3 3 ASN HB2 H 1 2.77 0.01 . 2 . . . . A 3 ASN HB2 . 31029 1
8 . 1 . 1 3 3 ASN HB3 H 1 2.77 0.01 . 2 . . . . A 3 ASN HB3 . 31029 1
9 . 1 . 1 3 3 ASN HD21 H 1 6.91 0.01 . 2 . . . . A 3 ASN HD21 . 31029 1
10 . 1 . 1 3 3 ASN HD22 H 1 7.61 0.01 . 2 . . . . A 3 ASN HD22 . 31029 1
11 . 1 . 1 4 4 HIS H H 1 8.52 0.01 . 1 . . . . A 4 HIS H . 31029 1
12 . 1 . 1 4 4 HIS HA H 1 4.68 0.01 . 5 . . . . A 4 HIS HA . 31029 1
13 . 1 . 1 4 4 HIS HB2 H 1 3.17 0.01 . 5 . . . . A 4 HIS HB2 . 31029 1
14 . 1 . 1 4 4 HIS HB3 H 1 3.29 0.01 . 2 . . . . A 4 HIS HB3 . 31029 1
15 . 1 . 1 5 5 ARG H H 1 8.32 0.01 . 5 . . . . A 5 ARG H . 31029 1
16 . 1 . 1 5 5 ARG HA H 1 4.34 0.01 . 1 . . . . A 5 ARG HA . 31029 1
17 . 1 . 1 5 5 ARG HB2 H 1 1.74 0.01 . 2 . . . . A 5 ARG HB2 . 31029 1
18 . 1 . 1 5 5 ARG HB3 H 1 1.74 0.01 . 2 . . . . A 5 ARG HB3 . 31029 1
19 . 1 . 1 5 5 ARG HG2 H 1 1.57 0.01 . 2 . . . . A 5 ARG HG2 . 31029 1
20 . 1 . 1 5 5 ARG HG3 H 1 1.57 0.01 . 2 . . . . A 5 ARG HG3 . 31029 1
21 . 1 . 1 5 5 ARG HD2 H 1 3.17 0.01 . 5 . . . . A 5 ARG HD2 . 31029 1
22 . 1 . 1 5 5 ARG HD3 H 1 3.17 0.01 . 5 . . . . A 5 ARG HD3 . 31029 1
23 . 1 . 1 5 5 ARG HE H 1 7.15 0.01 . 1 . . . . A 5 ARG HE . 31029 1
24 . 1 . 1 6 6 SER H H 1 8.20 0.01 . 5 . . . . A 6 SER H . 31029 1
25 . 1 . 1 6 6 SER HA H 1 4.44 0.01 . 5 . . . . A 6 SER HA . 31029 1
26 . 1 . 1 6 6 SER HB2 H 1 3.85 0.01 . 2 . . . . A 6 SER HB2 . 31029 1
27 . 1 . 1 6 6 SER HB3 H 1 3.85 0.01 . 2 . . . . A 6 SER HB3 . 31029 1
28 . 1 . 1 7 7 PHE H H 1 8.36 0.01 . 1 . . . . A 7 PHE H . 31029 1
29 . 1 . 1 7 7 PHE HA H 1 4.66 0.01 . 1 . . . . A 7 PHE HA . 31029 1
30 . 1 . 1 7 7 PHE HB2 H 1 3.05 0.01 . 1 . . . . A 7 PHE HB2 . 31029 1
31 . 1 . 1 7 7 PHE HB3 H 1 3.17 0.01 . 5 . . . . A 7 PHE HB3 . 31029 1
32 . 1 . 1 7 7 PHE HD1 H 1 7.33 0.01 . 3 . . . . A 7 PHE HD1 . 31029 1
33 . 1 . 1 7 7 PHE HD2 H 1 7.33 0.01 . 3 . . . . A 7 PHE HD2 . 31029 1
34 . 1 . 1 7 7 PHE HE1 H 1 7.24 0.01 . 3 . . . . A 7 PHE HE1 . 31029 1
35 . 1 . 1 7 7 PHE HE2 H 1 7.24 0.01 . 3 . . . . A 7 PHE HE2 . 31029 1
36 . 1 . 1 7 7 PHE HZ H 1 7.28 0.01 . 1 . . . . A 7 PHE HZ . 31029 1
37 . 1 . 1 8 8 SER H H 1 8.20 0.01 . 5 . . . . A 8 SER H . 31029 1
38 . 1 . 1 8 8 SER HA H 1 4.43 0.01 . 5 . . . . A 8 SER HA . 31029 1
39 . 1 . 1 8 8 SER HB2 H 1 3.83 0.01 . 2 . . . . A 8 SER HB2 . 31029 1
40 . 1 . 1 8 8 SER HB3 H 1 3.83 0.01 . 2 . . . . A 8 SER HB3 . 31029 1
41 . 1 . 1 9 9 ASP H H 1 8.25 0.01 . 1 . . . . A 9 ASP H . 31029 1
42 . 1 . 1 9 9 ASP HA H 1 4.60 0.01 . 1 . . . . A 9 ASP HA . 31029 1
43 . 1 . 1 9 9 ASP HB2 H 1 2.73 0.01 . 2 . . . . A 9 ASP HB2 . 31029 1
44 . 1 . 1 9 9 ASP HB3 H 1 2.73 0.01 . 2 . . . . A 9 ASP HB3 . 31029 1
45 . 1 . 1 10 10 LYS H H 1 8.28 0.01 . 1 . . . . A 10 LYS H . 31029 1
46 . 1 . 1 10 10 LYS HA H 1 4.28 0.01 . 1 . . . . A 10 LYS HA . 31029 1
47 . 1 . 1 10 10 LYS HB2 H 1 1.84 0.01 . 2 . . . . A 10 LYS HB2 . 31029 1
48 . 1 . 1 10 10 LYS HB3 H 1 1.84 0.01 . 2 . . . . A 10 LYS HB3 . 31029 1
49 . 1 . 1 10 10 LYS HG2 H 1 1.43 0.01 . 2 . . . . A 10 LYS HG2 . 31029 1
50 . 1 . 1 10 10 LYS HG3 H 1 1.43 0.01 . 2 . . . . A 10 LYS HG3 . 31029 1
51 . 1 . 1 10 10 LYS HD2 H 1 1.66 0.01 . 2 . . . . A 10 LYS HD2 . 31029 1
52 . 1 . 1 10 10 LYS HD3 H 1 1.66 0.01 . 2 . . . . A 10 LYS HD3 . 31029 1
53 . 1 . 1 10 10 LYS HE2 H 1 2.98 0.01 . 2 . . . . A 10 LYS HE2 . 31029 1
54 . 1 . 1 10 10 LYS HE3 H 1 2.98 0.01 . 2 . . . . A 10 LYS HE3 . 31029 1
55 . 1 . 1 11 11 ASN H H 1 8.38 0.01 . 1 . . . . A 11 ASN H . 31029 1
56 . 1 . 1 11 11 ASN HA H 1 4.68 0.01 . 5 . . . . A 11 ASN HA . 31029 1
57 . 1 . 1 11 11 ASN HB2 H 1 2.85 0.01 . 2 . . . . A 11 ASN HB2 . 31029 1
58 . 1 . 1 11 11 ASN HB3 H 1 2.85 0.01 . 2 . . . . A 11 ASN HB3 . 31029 1
59 . 1 . 1 11 11 ASN HD21 H 1 6.90 0.01 . 1 . . . . A 11 ASN HD21 . 31029 1
60 . 1 . 1 11 11 ASN HD22 H 1 7.57 0.01 . 5 . . . . A 11 ASN HD22 . 31029 1
61 . 1 . 1 12 12 GLY H H 1 8.30 0.01 . 1 . . . . A 12 GLY H . 31029 1
62 . 1 . 1 12 12 GLY HA2 H 1 3.94 0.01 . 2 . . . . A 12 GLY HA2 . 31029 1
63 . 1 . 1 12 12 GLY HA3 H 1 3.94 0.01 . 2 . . . . A 12 GLY HA3 . 31029 1
64 . 1 . 1 13 13 LEU H H 1 8.13 0.01 . 1 . . . . A 13 LEU H . 31029 1
65 . 1 . 1 13 13 LEU HA H 1 4.43 0.01 . 5 . . . . A 13 LEU HA . 31029 1
66 . 1 . 1 13 13 LEU HB2 H 1 1.69 0.01 . 2 . . . . A 13 LEU HB2 . 31029 1
67 . 1 . 1 13 13 LEU HB3 H 1 1.69 0.01 . 2 . . . . A 13 LEU HB3 . 31029 1
68 . 1 . 1 13 13 LEU HG H 1 1.62 0.01 . 1 . . . . A 13 LEU HG . 31029 1
69 . 1 . 1 13 13 LEU HD11 H 1 0.87 0.01 . 2 . . . . A 13 LEU HD11 . 31029 1
70 . 1 . 1 13 13 LEU HD12 H 1 0.87 0.01 . 2 . . . . A 13 LEU HD12 . 31029 1
71 . 1 . 1 13 13 LEU HD13 H 1 0.87 0.01 . 2 . . . . A 13 LEU HD13 . 31029 1
72 . 1 . 1 13 13 LEU HD21 H 1 0.93 0.01 . 2 . . . . A 13 LEU HD21 . 31029 1
73 . 1 . 1 13 13 LEU HD22 H 1 0.93 0.01 . 2 . . . . A 13 LEU HD22 . 31029 1
74 . 1 . 1 13 13 LEU HD23 H 1 0.93 0.01 . 2 . . . . A 13 LEU HD23 . 31029 1
75 . 1 . 1 14 14 THR H H 1 8.20 0.01 . 5 . . . . A 14 THR H . 31029 1
76 . 1 . 1 14 14 THR HA H 1 4.43 0.01 . 5 . . . . A 14 THR HA . 31029 1
77 . 1 . 1 14 14 THR HB H 1 4.29 0.01 . 1 . . . . A 14 THR HB . 31029 1
78 . 1 . 1 14 14 THR HG21 H 1 1.20 0.01 . 1 . . . . A 14 THR HG21 . 31029 1
79 . 1 . 1 14 14 THR HG22 H 1 1.20 0.01 . 1 . . . . A 14 THR HG22 . 31029 1
80 . 1 . 1 14 14 THR HG23 H 1 1.20 0.01 . 1 . . . . A 14 THR HG23 . 31029 1
81 . 1 . 1 15 15 SER H H 1 8.40 0.01 . 1 . . . . A 15 SER H . 31029 1
82 . 1 . 1 15 15 SER HA H 1 4.44 0.01 . 5 . . . . A 15 SER HA . 31029 1
83 . 1 . 1 15 15 SER HB2 H 1 3.82 0.01 . 2 . . . . A 15 SER HB2 . 31029 1
84 . 1 . 1 15 15 SER HB3 H 1 3.82 0.01 . 2 . . . . A 15 SER HB3 . 31029 1
85 . 1 . 1 16 16 NH2 HN1 H 1 7.16 0.01 . 1 . . . . A 16 NH2 HN1 . 31029 1
86 . 1 . 1 16 16 NH2 HN2 H 1 7.57 0.01 . 5 . . . . A 16 NH2 HN2 . 31029 1
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