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 25507
_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' . . . 25507 1
2 '2D 1H-1H TOCSY' . . . 25507 1
3 '2D 1H-1H NOESY' . . . 25507 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 SDPhe HA H 1 3.94 0.01 . 1 . . . . 1 SDPhe HA . 25507 1
2 . 1 1 1 1 SDPhe HB2 H 1 3.29 0.01 . 1 . . . . 1 SDPhe HB2 . 25507 1
3 . 1 1 1 1 SDPhe HD1 H 1 7.45 0.01 . 1 . . . . 1 SDPhe HD1 . 25507 1
4 . 1 1 1 1 SDPhe HD2 H 1 7.45 0.01 . 1 . . . . 1 SDPhe HD2 . 25507 1
5 . 1 1 1 1 SDPhe HE1 H 1 7.55 0.01 . 1 . . . . 1 SDPhe HE1 . 25507 1
6 . 1 1 1 1 SDPhe HE2 H 1 7.55 0.01 . 1 . . . . 1 SDPhe HE2 . 25507 1
7 . 1 1 1 1 SDPhe HZ H 1 7.51 0.01 . 1 . . . . 1 SDPhe HZ . 25507 1
8 . 1 1 1 1 SDPhe CA C 13 38.4 0.10 . 1 . . . . 1 SDPhe CA . 25507 1
9 . 1 1 1 1 SDPhe CB C 13 37.0 0.10 . 1 . . . . 1 SDPhe CB . 25507 1
10 . 1 1 1 1 SDPhe CD1 C 13 124.6 0.10 . 1 . . . . 1 SDPhe CD1 . 25507 1
11 . 1 1 1 1 SDPhe CD2 C 13 124.6 0.10 . 1 . . . . 1 SDPhe CD2 . 25507 1
12 . 1 1 1 1 SDPhe CE1 C 13 124.2 0.10 . 1 . . . . 1 SDPhe CE1 . 25507 1
13 . 1 1 1 1 SDPhe CE2 C 13 124.2 0.10 . 1 . . . . 1 SDPhe CE2 . 25507 1
14 . 1 1 1 1 SDPhe CZ C 13 122.6 0.10 . 1 . . . . 1 SDPhe CZ . 25507 1
15 . 1 1 2 2 CYS H H 1 8.15 0.01 . 1 . . . . 2 C HN . 25507 1
16 . 1 1 2 2 CYS HA H 1 4.57 0.01 . 1 . . . . 2 C HA . 25507 1
17 . 1 1 2 2 CYS HB2 H 1 2.70 0.01 . 1 . . . . 2 C HB2 . 25507 1
18 . 1 1 2 2 CYS HB3 H 1 2.77 0.01 . 1 . . . . 2 C HB3 . 25507 1
19 . 1 1 2 2 CYS CA C 13 50.8 0.10 . 1 . . . . 2 C CA . 25507 1
20 . 1 1 2 2 CYS CB C 13 21.0 0.10 . 1 . . . . 2 C CB . 25507 1
21 . 1 1 3 3 TYR H H 1 7.99 0.01 . 1 . . . . 3 Y HN . 25507 1
22 . 1 1 3 3 TYR HA H 1 4.68 0.01 . 1 . . . . 3 Y HA . 25507 1
23 . 1 1 3 3 TYR HB2 H 1 2.95 0.01 . 1 . . . . 3 Y HB2 . 25507 1
24 . 1 1 3 3 TYR HB3 H 1 3.06 0.01 . 1 . . . . 3 Y HB3 . 25507 1
25 . 1 1 3 3 TYR HD1 H 1 7.11 0.01 . 1 . . . . 3 Y HD . 25507 1
26 . 1 1 3 3 TYR HD2 H 1 7.11 0.01 . 1 . . . . 3 Y HD . 25507 1
27 . 1 1 3 3 TYR HE1 H 1 6.93 0.01 . 1 . . . . 3 Y HE . 25507 1
28 . 1 1 3 3 TYR HE2 H 1 6.93 0.01 . 1 . . . . 3 Y HE . 25507 1
29 . 1 1 3 3 TYR CB C 13 31.8 0.10 . 1 . . . . 3 Y CB . 25507 1
30 . 1 1 3 3 TYR CD1 C 13 126.0 0.10 . 1 . . . . 3 Y CD . 25507 1
31 . 1 1 3 3 TYR CD2 C 13 126.0 0.10 . 1 . . . . 3 Y CD . 25507 1
32 . 1 1 3 3 TYR CE1 C 13 110.9 0.10 . 1 . . . . 3 Y CE . 25507 1
33 . 1 1 3 3 TYR CE2 C 13 110.9 0.10 . 1 . . . . 3 Y CE . 25507 1
34 . 1 1 4 4 DTR H H 1 8.16 0.01 . 1 . . . . 4 W HN . 25507 1
35 . 1 1 4 4 DTR HA H 1 4.79 0.01 . 1 . . . . 4 W HA . 25507 1
36 . 1 1 4 4 DTR HB2 H 1 3.30 0.01 . 1 . . . . 4 W HB2 . 25507 1
37 . 1 1 4 4 DTR HB3 H 1 3.41 0.01 . 1 . . . . 4 W HB3 . 25507 1
38 . 1 1 4 4 DTR HD1 H 1 7.38 0.01 . 1 . . . . 4 W HD1 . 25507 1
39 . 1 1 4 4 DTR HE1 H 1 10.26 0.01 . 1 . . . . 4 W HE1 . 25507 1
40 . 1 1 4 4 DTR HE3 H 1 7.80 0.01 . 1 . . . . 4 W HE3 . 25507 1
41 . 1 1 4 4 DTR HZ2 H 1 7.68 0.01 . 1 . . . . 4 W HZ2 . 25507 1
42 . 1 1 4 4 DTR HZ3 H 1 7.37 0.01 . 1 . . . . 4 W HZ3 . 25507 1
43 . 1 1 4 4 DTR HH2 H 1 7.44 0.01 . 1 . . . . 4 W HH2 . 25507 1
44 . 1 1 4 4 DTR CB C 13 22.6 0.10 . 1 . . . . 4 W CB . 25507 1
45 . 1 1 4 4 DTR CD1 C 13 119.8 0.10 . 1 . . . . 4 W CD1 . 25507 1
46 . 1 1 4 4 DTR CE3 C 13 113.8 0.10 . 1 . . . . 4 W CE3 . 25507 1
47 . 1 1 4 4 DTR CZ2 C 13 107.3 0.10 . 1 . . . . 4 W CZ2 . 25507 1
48 . 1 1 4 4 DTR CZ3 C 13 114.7 0.10 . 1 . . . . 4 W CZ3 . 25507 1
49 . 1 1 4 4 DTR CH2 C 13 117.3 0.10 . 1 . . . . 4 W CH2 . 25507 1
50 . 1 1 5 5 LYS H H 1 8.09 0.01 . 1 . . . . 5 K HN . 25507 1
51 . 1 1 5 5 LYS HA H 1 4.43 0.01 . 1 . . . . 5 K HA . 25507 1
52 . 1 1 5 5 LYS HB2 H 1 1.67 0.01 . 1 . . . . 5 K HB2 . 25507 1
53 . 1 1 5 5 LYS HB3 H 1 1.86 0.01 . 1 . . . . 5 K HB3 . 25507 1
54 . 1 1 5 5 LYS HG2 H 1 1.15 0.01 . 1 . . . . 5 K HG . 25507 1
55 . 1 1 5 5 LYS HG3 H 1 1.15 0.01 . 1 . . . . 5 K HG . 25507 1
56 . 1 1 5 5 LYS HD2 H 1 1.69 0.01 . 1 . . . . 5 K HD . 25507 1
57 . 1 1 5 5 LYS HD3 H 1 1.69 0.01 . 1 . . . . 5 K HD . 25507 1
58 . 1 1 5 5 LYS HE2 H 1 3.04 0.01 . 1 . . . . 5 K HE . 25507 1
59 . 1 1 5 5 LYS HE3 H 1 3.04 0.01 . 1 . . . . 5 K HE . 25507 1
60 . 1 1 5 5 LYS HZ1 H 1 7.62 0.01 . 1 . . . . 5 K HZ . 25507 1
61 . 1 1 5 5 LYS HZ2 H 1 7.62 0.01 . 1 . . . . 5 K HZ . 25507 1
62 . 1 1 5 5 LYS HZ3 H 1 7.62 0.01 . 1 . . . . 5 K HZ . 25507 1
63 . 1 1 5 5 LYS CA C 13 49.0 0.10 . 1 . . . . 5 K CA . 25507 1
64 . 1 1 5 5 LYS CB C 13 25.7 0.10 . 1 . . . . 5 K CB . 25507 1
65 . 1 1 5 5 LYS CG C 13 17.2 0.10 . 1 . . . . 5 K CG . 25507 1
66 . 1 1 5 5 LYS CD C 13 21.8 0.10 . 1 . . . . 5 K CD . 25507 1
67 . 1 1 5 5 LYS CE C 13 34.8 0.10 . 1 . . . . 5 K CE . 25507 1
68 . 1 1 6 6 THR H H 1 8.23 0.01 . 1 . . . . 6 T HN . 25507 1
69 . 1 1 6 6 THR HA H 1 4.61 0.01 . 1 . . . . 6 T HA . 25507 1
70 . 1 1 6 6 THR HB H 1 4.55 0.01 . 1 . . . . 6 T HB . 25507 1
71 . 1 1 6 6 THR HG21 H 1 1.43 0.01 . 1 . . . . 6 T HG2 . 25507 1
72 . 1 1 6 6 THR HG22 H 1 1.43 0.01 . 1 . . . . 6 T HG2 . 25507 1
73 . 1 1 6 6 THR HG23 H 1 1.43 0.01 . 1 . . . . 6 T HG2 . 25507 1
74 . 1 1 6 6 THR CA C 13 54.0 0.10 . 1 . . . . 6 T CA . 25507 1
75 . 1 1 6 6 THR CB C 13 62.9 0.10 . 1 . . . . 6 T CB . 25507 1
76 . 1 1 6 6 THR CG2 C 13 14.6 0.10 . 1 . . . . 6 T CG . 25507 1
77 . 1 1 7 7 CYS H H 1 8.32 0.01 . 1 . . . . 7 C HN . 25507 1
78 . 1 1 7 7 CYS HA H 1 4.86 0.01 . 1 . . . . 7 C HA . 25507 1
79 . 1 1 7 7 CYS HB2 H 1 3.15 0.01 . 1 . . . . 7 C HB2 . 25507 1
80 . 1 1 7 7 CYS HB3 H 1 3.17 0.01 . 1 . . . . 7 C HB3 . 25507 1
81 . 1 1 7 7 CYS CB C 13 21.3 0.10 . 1 . . . . 7 C CB . 25507 1
82 . 1 1 8 8 THR H H 1 8.12 0.01 . 1 . . . . 8 T HN . 25507 1
83 . 1 1 8 8 THR HA H 1 4.56 0.01 . 1 . . . . 8 T HA . 25507 1
84 . 1 1 8 8 THR HB H 1 4.44 0.01 . 1 . . . . 8 T HB . 25507 1
85 . 1 1 8 8 THR HG21 H 1 1.39 0.01 . 1 . . . . 8 T HG2 . 25507 1
86 . 1 1 8 8 THR HG22 H 1 1.39 0.01 . 1 . . . . 8 T HG2 . 25507 1
87 . 1 1 8 8 THR HG23 H 1 1.39 0.01 . 1 . . . . 8 T HG2 . 25507 1
88 . 1 1 8 8 THR CA C 13 54.8 0.10 . 1 . . . . 8 T CA . 25507 1
89 . 1 1 8 8 THR CB C 13 62.5 0.10 . 1 . . . . 8 T CB . 25507 1
90 . 1 1 8 8 THR CG2 C 13 14.6 0.10 . 1 . . . . 8 T CG . 25507 1
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