Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25739
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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' . . . 25739 1
2 '2D 1H-1H TOCSY' . . . 25739 1
3 '2D 1H-1H NOESY' . . . 25739 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.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 SDF-1 HA H 1 4.56 0.01 . 1 . . . . 1 SDF-1 HA . 25739 1
2 . 1 1 1 1 SDF-1 HB2 H 1 3.04 0.01 . 2 . . . . 1 SDF-1 HB2 . 25739 1
3 . 1 1 1 1 SDF-1 HB3 H 1 3.64 0.01 . 2 . . . . 1 SDF-1 HB3 . 25739 1
4 . 1 1 1 1 SDF-1 HD1 H 1 7.47 0.01 . 3 . . . . 1 SDF-1 HD1 . 25739 1
5 . 1 1 1 1 SDF-1 HD2 H 1 7.47 0.01 . 3 . . . . 1 SDF-1 HD2 . 25739 1
6 . 1 1 1 1 SDF-1 HE1 H 1 7.41 0.01 . 3 . . . . 1 SDF-1 HE1 . 25739 1
7 . 1 1 1 1 SDF-1 HE2 H 1 7.41 0.01 . 3 . . . . 1 SDF-1 HE2 . 25739 1
8 . 1 1 1 1 SDF-1 HZ H 1 7.42 0.01 . 1 . . . . 1 SDF-1 HZ . 25739 1
9 . 1 1 1 1 SDF-1 CB C 13 37.4 0.1 . 1 . . . . 1 SDF-1 CB . 25739 1
10 . 1 1 1 1 SDF-1 CD1 C 13 124.1 0.1 . 3 . . . . 1 SDF-1 CD1 . 25739 1
11 . 1 1 1 1 SDF-1 CD2 C 13 124.1 0.1 . 3 . . . . 1 SDF-1 CD2 . 25739 1
12 . 1 1 1 1 SDF-1 CE1 C 13 125.3 0.1 . 3 . . . . 1 SDF-1 CE1 . 25739 1
13 . 1 1 1 1 SDF-1 CE2 C 13 125.3 0.1 . 3 . . . . 1 SDF-1 CE2 . 25739 1
14 . 1 1 1 1 SDF-1 CZ C 13 122.4 0.1 . 1 . . . . 1 SDF-1 CZ . 25739 1
15 . 1 1 2 2 CYS HA H 1 5.46 0.01 . 1 . . . . 2 C HA . 25739 1
16 . 1 1 2 2 CYS HB2 H 1 3.38 0.01 . 2 . . . . 2 C HB2 . 25739 1
17 . 1 1 2 2 CYS HB3 H 1 3.55 0.01 . 2 . . . . 2 C HB3 . 25739 1
18 . 1 1 3 3 TYR H H 1 7.71 0.01 . 1 . . . . 3 Y HN . 25739 1
19 . 1 1 3 3 TYR HA H 1 4.45 0.01 . 1 . . . . 3 Y HA . 25739 1
20 . 1 1 3 3 TYR HB2 H 1 3.04 0.01 . 2 . . . . 3 Y HB2 . 25739 1
21 . 1 1 3 3 TYR HB3 H 1 3.16 0.01 . 2 . . . . 3 Y HB3 . 25739 1
22 . 1 1 3 3 TYR HD1 H 1 7.24 0.01 . 3 . . . . 3 Y HD1 . 25739 1
23 . 1 1 3 3 TYR HD2 H 1 7.24 0.01 . 3 . . . . 3 Y HD2 . 25739 1
24 . 1 1 3 3 TYR HE1 H 1 7.01 0.01 . 3 . . . . 3 Y HE1 . 25739 1
25 . 1 1 3 3 TYR HE2 H 1 7.01 0.01 . 3 . . . . 3 Y HE2 . 25739 1
26 . 1 1 3 3 TYR CA C 13 51.9 0.1 . 1 . . . . 3 Y CA . 25739 1
27 . 1 1 3 3 TYR CB C 13 30.9 0.1 . 1 . . . . 3 Y CB . 25739 1
28 . 1 1 3 3 TYR CD1 C 13 126.3 0.1 . 3 . . . . 3 Y CD1 . 25739 1
29 . 1 1 3 3 TYR CD2 C 13 126.3 0.1 . 3 . . . . 3 Y CD2 . 25739 1
30 . 1 1 3 3 TYR CE1 C 13 111.3 0.1 . 3 . . . . 3 Y CE1 . 25739 1
31 . 1 1 3 3 TYR CE2 C 13 111.3 0.1 . 3 . . . . 3 Y CE2 . 25739 1
32 . 1 1 4 4 TRP H H 1 7.86 0.01 . 1 . . . . 4 W HN . 25739 1
33 . 1 1 4 4 TRP HA H 1 4.62 0.01 . 1 . . . . 4 W HA . 25739 1
34 . 1 1 4 4 TRP HB2 H 1 3.14 0.01 . 2 . . . . 4 W HB2 . 25739 1
35 . 1 1 4 4 TRP HB3 H 1 3.30 0.01 . 2 . . . . 4 W HB3 . 25739 1
36 . 1 1 4 4 TRP HD1 H 1 7.06 0.01 . 1 . . . . 4 W HD1 . 25739 1
37 . 1 1 4 4 TRP HE1 H 1 10.19 0.01 . 1 . . . . 4 W HE1 . 25739 1
38 . 1 1 4 4 TRP HE3 H 1 7.54 0.01 . 1 . . . . 4 W HE3 . 25739 1
39 . 1 1 4 4 TRP HZ2 H 1 7.66 0.01 . 1 . . . . 4 W HZ2 . 25739 1
40 . 1 1 4 4 TRP HZ3 H 1 7.28 0.01 . 1 . . . . 4 W HZ3 . 25739 1
41 . 1 1 4 4 TRP HH2 H 1 7.37 0.01 . 1 . . . . 4 W HH2 . 25739 1
42 . 1 1 4 4 TRP CB C 13 21.3 0.1 . 1 . . . . 4 W CB . 25739 1
43 . 1 1 4 4 TRP CD1 C 13 120.2 0.1 . 1 . . . . 4 W CD1 . 25739 1
44 . 1 1 4 4 TRP CE3 C 13 114.1 0.1 . 1 . . . . 4 W CE3 . 25739 1
45 . 1 1 4 4 TRP CZ2 C 13 107.5 0.1 . 1 . . . . 4 W CZ2 . 25739 1
46 . 1 1 4 4 TRP CZ3 C 13 115.0 0.1 . 1 . . . . 4 W CZ3 . 25739 1
47 . 1 1 4 4 TRP CH2 C 13 117.5 0.1 . 1 . . . . 4 W CH2 . 25739 1
48 . 1 1 5 5 LYS H H 1 8.05 0.01 . 1 . . . . 5 K HN . 25739 1
49 . 1 1 5 5 LYS HA H 1 4.18 0.01 . 1 . . . . 5 K HA . 25739 1
50 . 1 1 5 5 LYS HB2 H 1 1.70 0.01 . 2 . . . . 5 K HB2 . 25739 1
51 . 1 1 5 5 LYS HB3 H 1 1.70 0.01 . 2 . . . . 5 K HB3 . 25739 1
52 . 1 1 5 5 LYS HG2 H 1 1.04 0.01 . 2 . . . . 5 K HG2 . 25739 1
53 . 1 1 5 5 LYS HG3 H 1 1.04 0.01 . 2 . . . . 5 K HG3 . 25739 1
54 . 1 1 5 5 LYS HD2 H 1 1.59 0.01 . 2 . . . . 5 K HD2 . 25739 1
55 . 1 1 5 5 LYS HD3 H 1 1.59 0.01 . 2 . . . . 5 K HD3 . 25739 1
56 . 1 1 5 5 LYS HE2 H 1 2.93 0.01 . 2 . . . . 5 K HE2 . 25739 1
57 . 1 1 5 5 LYS HE3 H 1 2.93 0.01 . 2 . . . . 5 K HE3 . 25739 1
58 . 1 1 5 5 LYS HZ1 H 1 7.53 0.01 . 1 . . . . 5 K HZ . 25739 1
59 . 1 1 5 5 LYS HZ2 H 1 7.53 0.01 . 1 . . . . 5 K HZ . 25739 1
60 . 1 1 5 5 LYS HZ3 H 1 7.53 0.01 . 1 . . . . 5 K HZ . 25739 1
61 . 1 1 5 5 LYS CG C 13 17.3 0.1 . 1 . . . . 5 K CG . 25739 1
62 . 1 1 5 5 LYS CD C 13 21.7 0.1 . 1 . . . . 5 K CD . 25739 1
63 . 1 1 5 5 LYS CE C 13 34.7 0.1 . 1 . . . . 5 K CE . 25739 1
64 . 1 1 6 6 THR H H 1 7.23 0.01 . 1 . . . . 6 T HN . 25739 1
65 . 1 1 6 6 THR HA H 1 4.26 0.01 . 1 . . . . 6 T HA . 25739 1
66 . 1 1 6 6 THR HB H 1 4.43 0.01 . 2 . . . . 6 T HB . 25739 1
67 . 1 1 6 6 THR HG21 H 1 1.38 0.01 . 2 . . . . 6 T HG2 . 25739 1
68 . 1 1 6 6 THR HG22 H 1 1.38 0.01 . 2 . . . . 6 T HG2 . 25739 1
69 . 1 1 6 6 THR HG23 H 1 1.38 0.01 . 2 . . . . 6 T HG2 . 25739 1
70 . 1 1 6 6 THR CA C 13 55.9 0.1 . 1 . . . . 6 T CA . 25739 1
71 . 1 1 6 6 THR CB C 13 62.2 0.1 . 1 . . . . 6 T CB . 25739 1
72 . 1 1 7 7 CYS H H 1 7.95 0.01 . 1 . . . . 7 C HN . 25739 1
73 . 1 1 7 7 CYS HA H 1 5.37 0.01 . 1 . . . . 7 C HA . 25739 1
74 . 1 1 7 7 CYS HB2 H 1 4.34 0.01 . 2 . . . . 7 C HB2 . 25739 1
75 . 1 1 7 7 CYS HB3 H 1 4.34 0.01 . 2 . . . . 7 C HB3 . 25739 1
76 . 1 1 7 7 CYS CB C 13 29.6 0.1 . 1 . . . . 7 C CB . 25739 1
77 . 1 1 8 8 THR H H 1 7.52 0.01 . 1 . . . . 8 T HN . 25739 1
78 . 1 1 8 8 THR HA H 1 4.46 0.01 . 1 . . . . 8 T HA . 25739 1
79 . 1 1 8 8 THR HB H 1 4.43 0.01 . 2 . . . . 8 T HB . 25739 1
80 . 1 1 8 8 THR HG21 H 1 1.31 0.01 . 2 . . . . 8 T HG2 . 25739 1
81 . 1 1 8 8 THR HG22 H 1 1.31 0.01 . 2 . . . . 8 T HG2 . 25739 1
82 . 1 1 8 8 THR HG23 H 1 1.31 0.01 . 2 . . . . 8 T HG2 . 25739 1
83 . 1 1 8 8 THR CA C 13 54.5 0.1 . 1 . . . . 8 T CA . 25739 1
84 . 1 1 8 8 THR CB C 13 63.2 0.1 . 1 . . . . 8 T CB . 25739 1
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