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 31265
_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 '2D 1H-1H NOESY' . . . 31265 1
2 '2D 1H-1H TOCSY' . . . 31265 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 PHE H H 1 8.060 0.020 . 1 . . . . A 1 PHE H1 . 31265 1
2 . 1 . 1 1 1 PHE HA H 1 4.420 0.020 . 1 . . . . A 1 PHE HA . 31265 1
3 . 1 . 1 1 1 PHE HB2 H 1 2.438 0.020 . 2 . . . . A 1 PHE HB2 . 31265 1
4 . 1 . 1 1 1 PHE HB3 H 1 2.597 0.020 . 2 . . . . A 1 PHE HB3 . 31265 1
5 . 1 . 1 1 1 PHE HD1 H 1 6.739 0.020 . 1 . . . . A 1 PHE HD1 . 31265 1
6 . 1 . 1 1 1 PHE HD2 H 1 6.739 0.020 . 1 . . . . A 1 PHE HD2 . 31265 1
7 . 1 . 1 1 1 PHE HE1 H 1 6.896 0.020 . 1 . . . . A 1 PHE HE1 . 31265 1
8 . 1 . 1 1 1 PHE HE2 H 1 6.896 0.020 . 1 . . . . A 1 PHE HE2 . 31265 1
9 . 1 . 1 1 1 PHE HZ H 1 6.903 0.020 . 1 . . . . A 1 PHE HZ . 31265 1
10 . 1 . 1 2 2 HIS H H 1 8.120 0.020 . 1 . . . . A 2 HIS H . 31265 1
11 . 1 . 1 2 2 HIS HA H 1 4.305 0.020 . 1 . . . . A 2 HIS HA . 31265 1
12 . 1 . 1 2 2 HIS HB2 H 1 2.680 0.020 . 2 . . . . A 2 HIS HB2 . 31265 1
13 . 1 . 1 2 2 HIS HB3 H 1 2.756 0.020 . 2 . . . . A 2 HIS HB3 . 31265 1
14 . 1 . 1 2 2 HIS HD2 H 1 6.620 0.020 . 1 . . . . A 2 HIS HD2 . 31265 1
15 . 1 . 1 2 2 HIS HE1 H 1 7.890 0.020 . 1 . . . . A 2 HIS HE1 . 31265 1
16 . 1 . 1 3 3 SER H H 1 8.170 0.020 . 1 . . . . A 3 SER H . 31265 1
17 . 1 . 1 3 3 SER HA H 1 4.210 0.020 . 1 . . . . A 3 SER HA . 31265 1
18 . 1 . 1 3 3 SER HB2 H 1 3.465 0.020 . 2 . . . . A 3 SER HB2 . 31265 1
19 . 1 . 1 3 3 SER HB3 H 1 3.396 0.020 . 2 . . . . A 3 SER HB3 . 31265 1
20 . 1 . 1 4 4 HIS H H 1 8.445 0.020 . 1 . . . . A 4 HIS H . 31265 1
21 . 1 . 1 4 4 HIS HA H 1 4.330 0.020 . 1 . . . . A 4 HIS HA . 31265 1
22 . 1 . 1 4 4 HIS HB2 H 1 2.696 0.020 . 2 . . . . A 4 HIS HB2 . 31265 1
23 . 1 . 1 4 4 HIS HB3 H 1 2.862 0.020 . 2 . . . . A 4 HIS HB3 . 31265 1
24 . 1 . 1 4 4 HIS HD2 H 1 6.816 0.020 . 1 . . . . A 4 HIS HD2 . 31265 1
25 . 1 . 1 4 4 HIS HE1 H 1 8.060 0.020 . 1 . . . . A 4 HIS HE1 . 31265 1
26 . 1 . 1 5 5 ORN HA H 1 3.730 0.020 . 1 . . . . A 5 ORN HA . 31265 1
27 . 1 . 1 5 5 ORN HB2 H 1 1.445 0.020 . 2 . . . . A 5 ORN HB2 . 31265 1
28 . 1 . 1 5 5 ORN HB3 H 1 1.445 0.020 . 2 . . . . A 5 ORN HB3 . 31265 1
29 . 1 . 1 5 5 ORN HD2 H 1 2.742 0.020 . 2 . . . . A 5 ORN HD2 . 31265 1
30 . 1 . 1 5 5 ORN HD3 H 1 3.077 0.020 . 2 . . . . A 5 ORN HD3 . 31265 1
31 . 1 . 1 5 5 ORN HE1 H 1 7.936 0.020 . 1 . . . . A 5 ORN HE1 . 31265 1
32 . 1 . 1 5 5 ORN HE2 H 1 7.936 0.020 . 1 . . . . A 5 ORN HE2 . 31265 1
33 . 1 . 1 5 5 ORN HG2 H 1 1.219 0.020 . 2 . . . . A 5 ORN HG2 . 31265 1
34 . 1 . 1 5 5 ORN HG3 H 1 1.219 0.020 . 2 . . . . A 5 ORN HG3 . 31265 1
35 . 1 . 1 6 6 PHE H H 1 8.280 0.020 . 1 . . . . A 6 PHE H . 31265 1
36 . 1 . 1 6 6 PHE HA H 1 4.470 0.020 . 1 . . . . A 6 PHE HA . 31265 1
37 . 1 . 1 6 6 PHE HB2 H 1 2.624 0.020 . 2 . . . . A 6 PHE HB2 . 31265 1
38 . 1 . 1 6 6 PHE HB3 H 1 2.692 0.020 . 2 . . . . A 6 PHE HB3 . 31265 1
39 . 1 . 1 6 6 PHE HD1 H 1 6.800 0.020 . 1 . . . . A 6 PHE HD1 . 31265 1
40 . 1 . 1 6 6 PHE HD2 H 1 6.800 0.020 . 1 . . . . A 6 PHE HD2 . 31265 1
41 . 1 . 1 6 6 PHE HE1 H 1 6.810 0.020 . 1 . . . . A 6 PHE HE1 . 31265 1
42 . 1 . 1 6 6 PHE HE2 H 1 6.810 0.020 . 1 . . . . A 6 PHE HE2 . 31265 1
43 . 1 . 1 6 6 PHE HZ H 1 6.950 0.020 . 1 . . . . A 6 PHE HZ . 31265 1
44 . 1 . 1 7 7 ILE H H 1 8.160 0.020 . 1 . . . . A 7 ILE H . 31265 1
45 . 1 . 1 7 7 ILE HA H 1 3.870 0.020 . 1 . . . . A 7 ILE HA . 31265 1
46 . 1 . 1 7 7 ILE HB H 1 1.363 0.020 . 1 . . . . A 7 ILE HB . 31265 1
47 . 1 . 1 7 7 ILE HG12 H 1 0.697 0.020 . 2 . . . . A 7 ILE HG12 . 31265 1
48 . 1 . 1 7 7 ILE HG13 H 1 1.040 0.020 . 2 . . . . A 7 ILE HG13 . 31265 1
49 . 1 . 1 7 7 ILE HG21 H 1 0.430 0.020 . 1 . . . . A 7 ILE HG21 . 31265 1
50 . 1 . 1 7 7 ILE HG22 H 1 0.430 0.020 . 1 . . . . A 7 ILE HG22 . 31265 1
51 . 1 . 1 7 7 ILE HG23 H 1 0.430 0.020 . 1 . . . . A 7 ILE HG23 . 31265 1
52 . 1 . 1 7 7 ILE HD11 H 1 0.390 0.020 . 1 . . . . A 7 ILE HD11 . 31265 1
53 . 1 . 1 7 7 ILE HD12 H 1 0.390 0.020 . 1 . . . . A 7 ILE HD12 . 31265 1
54 . 1 . 1 7 7 ILE HD13 H 1 0.390 0.020 . 1 . . . . A 7 ILE HD13 . 31265 1
55 . 1 . 1 8 8 HIS H H 1 8.356 0.020 . 1 . . . . A 8 HIS H . 31265 1
56 . 1 . 1 8 8 HIS HA H 1 4.792 0.020 . 1 . . . . A 8 HIS HA . 31265 1
57 . 1 . 1 8 8 HIS HB2 H 1 2.577 0.020 . 2 . . . . A 8 HIS HB2 . 31265 1
58 . 1 . 1 8 8 HIS HB3 H 1 2.780 0.020 . 2 . . . . A 8 HIS HB3 . 31265 1
59 . 1 . 1 8 8 HIS HD2 H 1 6.820 0.020 . 1 . . . . A 8 HIS HD2 . 31265 1
60 . 1 . 1 8 8 HIS HE1 H 1 7.880 0.020 . 1 . . . . A 8 HIS HE1 . 31265 1
61 . 1 . 1 9 9 SAR HA2 H 1 3.390 0.020 . 2 . . . . A 9 SAR HA2 . 31265 1
62 . 1 . 1 9 9 SAR HA3 H 1 4.120 0.020 . 2 . . . . A 9 SAR HA3 . 31265 1
63 . 1 . 1 9 9 SAR HN1 H 1 2.699 0.020 . 1 . . . . A 9 SAR HN1 . 31265 1
64 . 1 . 1 9 9 SAR HN2 H 1 2.699 0.020 . 1 . . . . A 9 SAR HN2 . 31265 1
65 . 1 . 1 9 9 SAR HN3 H 1 2.699 0.020 . 1 . . . . A 9 SAR HN3 . 31265 1
66 . 1 . 1 10 10 HIS H H 1 7.986 0.020 . 1 . . . . A 10 HIS H . 31265 1
67 . 1 . 1 10 10 HIS HA H 1 4.260 0.020 . 1 . . . . A 10 HIS HA . 31265 1
68 . 1 . 1 10 10 HIS HB2 H 1 2.704 0.020 . 2 . . . . A 10 HIS HB2 . 31265 1
69 . 1 . 1 10 10 HIS HB3 H 1 2.854 0.020 . 2 . . . . A 10 HIS HB3 . 31265 1
70 . 1 . 1 10 10 HIS HD2 H 1 6.880 0.020 . 1 . . . . A 10 HIS HD2 . 31265 1
71 . 1 . 1 10 10 HIS HE1 H 1 8.160 0.020 . 1 . . . . A 10 HIS HE1 . 31265 1
72 . 1 . 1 11 11 ORN HA H 1 3.720 0.020 . 1 . . . . A 11 ORN HA . 31265 1
73 . 1 . 1 11 11 ORN HB2 H 1 1.452 0.020 . 2 . . . . A 11 ORN HB2 . 31265 1
74 . 1 . 1 11 11 ORN HB3 H 1 1.452 0.020 . 2 . . . . A 11 ORN HB3 . 31265 1
75 . 1 . 1 11 11 ORN HD2 H 1 2.993 0.020 . 2 . . . . A 11 ORN HD2 . 31265 1
76 . 1 . 1 11 11 ORN HD3 H 1 2.660 0.020 . 2 . . . . A 11 ORN HD3 . 31265 1
77 . 1 . 1 11 11 ORN HE1 H 1 7.889 0.020 . 2 . . . . A 11 ORN HE1 . 31265 1
78 . 1 . 1 11 11 ORN HE2 H 1 7.889 0.020 . 2 . . . . A 11 ORN HE2 . 31265 1
79 . 1 . 1 11 11 ORN HG2 H 1 1.236 0.020 . 2 . . . . A 11 ORN HG2 . 31265 1
80 . 1 . 1 11 11 ORN HG3 H 1 1.140 0.020 . 2 . . . . A 11 ORN HG3 . 31265 1
81 . 1 . 1 12 12 TRP H H 1 8.036 0.020 . 1 . . . . A 12 TRP H . 31265 1
82 . 1 . 1 12 12 TRP HA H 1 4.490 0.020 . 1 . . . . A 12 TRP HA . 31265 1
83 . 1 . 1 12 12 TRP HB2 H 1 2.820 0.020 . 2 . . . . A 12 TRP HB2 . 31265 1
84 . 1 . 1 12 12 TRP HB3 H 1 2.820 0.020 . 2 . . . . A 12 TRP HB3 . 31265 1
85 . 1 . 1 12 12 TRP HD1 H 1 6.850 0.020 . 1 . . . . A 12 TRP HD1 . 31265 1
86 . 1 . 1 12 12 TRP HE1 H 1 9.866 0.020 . 1 . . . . A 12 TRP HE1 . 31265 1
87 . 1 . 1 12 12 TRP HE3 H 1 7.154 0.020 . 1 . . . . A 12 TRP HE3 . 31265 1
88 . 1 . 1 12 12 TRP HZ2 H 1 7.110 0.020 . 1 . . . . A 12 TRP HZ2 . 31265 1
89 . 1 . 1 12 12 TRP HZ3 H 1 6.720 0.020 . 1 . . . . A 12 TRP HZ3 . 31265 1
90 . 1 . 1 12 12 TRP HH2 H 1 6.840 0.020 . 1 . . . . A 12 TRP HH2 . 31265 1
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