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 30833
_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' . . . 30833 1
2 '2D 1H-1H TOCSY' . . . 30833 1
3 '1D 1H exchange' . . . 30833 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 GLY HA2 H 1 3.878 0.008 . 2 . . . . A 1 GLY HA2 . 30833 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.878 0.008 . 2 . . . . A 1 GLY HA3 . 30833 1
3 . 1 . 1 2 2 CYS H H 1 8.783 0.073 . 1 . . . . A 2 CYS H . 30833 1
4 . 1 . 1 2 2 CYS HA H 1 5.223 0.007 . 1 . . . . A 2 CYS HA . 30833 1
5 . 1 . 1 2 2 CYS HB2 H 1 3.508 0.005 . 2 . . . . A 2 CYS HB2 . 30833 1
6 . 1 . 1 2 2 CYS HB3 H 1 2.703 0.015 . 2 . . . . A 2 CYS HB3 . 30833 1
7 . 1 . 1 3 3 CYS H H 1 9.626 0.006 . 1 . . . . A 3 CYS H . 30833 1
8 . 1 . 1 3 3 CYS HA H 1 4.592 0.029 . 1 . . . . A 3 CYS HA . 30833 1
9 . 1 . 1 3 3 CYS HB2 H 1 4.090 0.020 . 2 . . . . A 3 CYS HB2 . 30833 1
10 . 1 . 1 3 3 CYS HB3 H 1 2.965 0.012 . 2 . . . . A 3 CYS HB3 . 30833 1
11 . 1 . 1 4 4 PRO HA H 1 4.382 0.009 . 1 . . . . A 4 PRO HA . 30833 1
12 . 1 . 1 4 4 PRO HB2 H 1 2.278 0.008 . 2 . . . . A 4 PRO HB2 . 30833 1
13 . 1 . 1 4 4 PRO HB3 H 1 2.063 0.010 . 2 . . . . A 4 PRO HB3 . 30833 1
14 . 1 . 1 4 4 PRO HG2 H 1 1.930 0.008 . 2 . . . . A 4 PRO HG2 . 30833 1
15 . 1 . 1 4 4 PRO HD2 H 1 3.767 0.014 . 2 . . . . A 4 PRO HD2 . 30833 1
16 . 1 . 1 4 4 PRO HD3 H 1 3.474 0.021 . 2 . . . . A 4 PRO HD3 . 30833 1
17 . 1 . 1 5 5 ALA H H 1 8.436 0.111 . 1 . . . . A 5 ALA H . 30833 1
18 . 1 . 1 5 5 ALA HA H 1 4.398 0.012 . 1 . . . . A 5 ALA HA . 30833 1
19 . 1 . 1 5 5 ALA HB1 H 1 1.357 0.005 . 1 . . . . A 5 ALA HB1 . 30833 1
20 . 1 . 1 5 5 ALA HB2 H 1 1.357 0.005 . 1 . . . . A 5 ALA HB2 . 30833 1
21 . 1 . 1 5 5 ALA HB3 H 1 1.357 0.005 . 1 . . . . A 5 ALA HB3 . 30833 1
22 . 1 . 1 6 6 PRO HA H 1 4.596 0.015 . 1 . . . . A 6 PRO HA . 30833 1
23 . 1 . 1 6 6 PRO HB2 H 1 2.087 0.009 . 2 . . . . A 6 PRO HB2 . 30833 1
24 . 1 . 1 6 6 PRO HB3 H 1 2.486 0.004 . 2 . . . . A 6 PRO HB3 . 30833 1
25 . 1 . 1 6 6 PRO HG2 H 1 1.973 0.009 . 2 . . . . A 6 PRO HG2 . 30833 1
26 . 1 . 1 6 6 PRO HG3 H 1 1.562 0.029 . 2 . . . . A 6 PRO HG3 . 30833 1
27 . 1 . 1 6 6 PRO HD2 H 1 3.533 0.010 . 2 . . . . A 6 PRO HD2 . 30833 1
28 . 1 . 1 6 6 PRO HD3 H 1 3.409 0.021 . 2 . . . . A 6 PRO HD3 . 30833 1
29 . 1 . 1 7 7 LEU H H 1 8.326 0.013 . 1 . . . . A 7 LEU H . 30833 1
30 . 1 . 1 7 7 LEU HA H 1 4.138 0.022 . 1 . . . . A 7 LEU HA . 30833 1
31 . 1 . 1 7 7 LEU HB2 H 1 1.772 0.004 . 2 . . . . A 7 LEU HB2 . 30833 1
32 . 1 . 1 7 7 LEU HG H 1 1.405 0.023 . 1 . . . . A 7 LEU HG . 30833 1
33 . 1 . 1 7 7 LEU HD11 H 1 1.100 0.022 . 2 . . . . A 7 LEU HD11 . 30833 1
34 . 1 . 1 7 7 LEU HD12 H 1 1.100 0.022 . 2 . . . . A 7 LEU HD12 . 30833 1
35 . 1 . 1 7 7 LEU HD13 H 1 1.100 0.022 . 2 . . . . A 7 LEU HD13 . 30833 1
36 . 1 . 1 7 7 LEU HD21 H 1 0.828 0.013 . 2 . . . . A 7 LEU HD21 . 30833 1
37 . 1 . 1 7 7 LEU HD22 H 1 0.828 0.013 . 2 . . . . A 7 LEU HD22 . 30833 1
38 . 1 . 1 7 7 LEU HD23 H 1 0.828 0.013 . 2 . . . . A 7 LEU HD23 . 30833 1
39 . 1 . 1 8 8 THR H H 1 8.290 0.099 . 1 . . . . A 8 THR H . 30833 1
40 . 1 . 1 8 8 THR HA H 1 4.165 0.011 . 1 . . . . A 8 THR HA . 30833 1
41 . 1 . 1 8 8 THR HG21 H 1 1.061 0.015 . 1 . . . . A 8 THR HG21 . 30833 1
42 . 1 . 1 8 8 THR HG22 H 1 1.061 0.015 . 1 . . . . A 8 THR HG22 . 30833 1
43 . 1 . 1 8 8 THR HG23 H 1 1.061 0.015 . 1 . . . . A 8 THR HG23 . 30833 1
44 . 1 . 1 9 9 CYS H H 1 8.404 0.064 . 1 . . . . A 9 CYS H . 30833 1
45 . 1 . 1 9 9 CYS HA H 1 4.329 0.012 . 1 . . . . A 9 CYS HA . 30833 1
46 . 1 . 1 9 9 CYS HB2 H 1 3.268 0.010 . 2 . . . . A 9 CYS HB2 . 30833 1
47 . 1 . 1 9 9 CYS HB3 H 1 2.962 0.014 . 2 . . . . A 9 CYS HB3 . 30833 1
48 . 1 . 1 10 10 HIS H H 1 9.152 0.077 . 1 . . . . A 10 HIS H . 30833 1
49 . 1 . 1 10 10 HIS HA H 1 5.195 0.008 . 1 . . . . A 10 HIS HA . 30833 1
50 . 1 . 1 10 10 HIS HB2 H 1 3.292 0.012 . 2 . . . . A 10 HIS HB2 . 30833 1
51 . 1 . 1 10 10 HIS HB3 H 1 3.166 0.006 . 2 . . . . A 10 HIS HB3 . 30833 1
52 . 1 . 1 10 10 HIS HE1 H 1 7.279 0.033 . 1 . . . . A 10 HIS HE1 . 30833 1
53 . 1 . 1 11 11 CYS H H 1 7.991 0.006 . 1 . . . . A 11 CYS H . 30833 1
54 . 1 . 1 11 11 CYS HA H 1 4.597 0.005 . 1 . . . . A 11 CYS HA . 30833 1
55 . 1 . 1 11 11 CYS HB2 H 1 3.980 0.024 . 2 . . . . A 11 CYS HB2 . 30833 1
56 . 1 . 1 11 11 CYS HB3 H 1 3.132 0.020 . 2 . . . . A 11 CYS HB3 . 30833 1
57 . 1 . 1 12 12 VAL H H 1 8.227 0.099 . 1 . . . . A 12 VAL H . 30833 1
58 . 1 . 1 12 12 VAL HA H 1 4.196 0.088 . 1 . . . . A 12 VAL HA . 30833 1
59 . 1 . 1 12 12 VAL HB H 1 1.924 0.008 . 1 . . . . A 12 VAL HB . 30833 1
60 . 1 . 1 12 12 VAL HG11 H 1 0.914 0.008 . 2 . . . . A 12 VAL HG11 . 30833 1
61 . 1 . 1 12 12 VAL HG12 H 1 0.914 0.008 . 2 . . . . A 12 VAL HG12 . 30833 1
62 . 1 . 1 12 12 VAL HG13 H 1 0.914 0.008 . 2 . . . . A 12 VAL HG13 . 30833 1
63 . 1 . 1 12 12 VAL HG21 H 1 0.705 0.020 . 2 . . . . A 12 VAL HG21 . 30833 1
64 . 1 . 1 12 12 VAL HG22 H 1 0.705 0.020 . 2 . . . . A 12 VAL HG22 . 30833 1
65 . 1 . 1 12 12 VAL HG23 H 1 0.705 0.020 . 2 . . . . A 12 VAL HG23 . 30833 1
66 . 1 . 1 13 13 ILE H H 1 8.544 0.025 . 1 . . . . A 13 ILE H . 30833 1
67 . 1 . 1 13 13 ILE HA H 1 4.390 0.044 . 1 . . . . A 13 ILE HA . 30833 1
68 . 1 . 1 13 13 ILE HB H 1 1.941 0.013 . 1 . . . . A 13 ILE HB . 30833 1
69 . 1 . 1 13 13 ILE HG12 H 1 1.677 0.008 . 2 . . . . A 13 ILE HG12 . 30833 1
70 . 1 . 1 13 13 ILE HG13 H 1 1.483 0.010 . 2 . . . . A 13 ILE HG13 . 30833 1
71 . 1 . 1 13 13 ILE HG21 H 1 1.035 0.011 . 2 . . . . A 13 ILE HG21 . 30833 1
72 . 1 . 1 13 13 ILE HG22 H 1 1.035 0.011 . 2 . . . . A 13 ILE HG22 . 30833 1
73 . 1 . 1 13 13 ILE HG23 H 1 1.035 0.011 . 2 . . . . A 13 ILE HG23 . 30833 1
74 . 1 . 1 13 13 ILE HD11 H 1 0.885 0.010 . 2 . . . . A 13 ILE HD11 . 30833 1
75 . 1 . 1 13 13 ILE HD12 H 1 0.885 0.010 . 2 . . . . A 13 ILE HD12 . 30833 1
76 . 1 . 1 13 13 ILE HD13 H 1 0.885 0.010 . 2 . . . . A 13 ILE HD13 . 30833 1
77 . 1 . 1 14 14 TYR H H 1 8.378 0.167 . 1 . . . . A 14 TYR H . 30833 1
78 . 1 . 1 14 14 TYR HA H 1 4.614 0.016 . 1 . . . . A 14 TYR HA . 30833 1
79 . 1 . 1 14 14 TYR HB2 H 1 2.921 0.013 . 2 . . . . A 14 TYR HB2 . 30833 1
80 . 1 . 1 14 14 TYR HB3 H 1 3.156 0.010 . 2 . . . . A 14 TYR HB3 . 30833 1
81 . 1 . 1 14 14 TYR HD1 H 1 7.122 0.007 . 3 . . . . A 14 TYR HD1 . 30833 1
82 . 1 . 1 14 14 TYR HE1 H 1 6.816 0.012 . 3 . . . . A 14 TYR HE1 . 30833 1
83 . 1 . 1 14 14 TYR HE2 H 1 6.816 0.012 . 3 . . . . A 14 TYR HE2 . 30833 1
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save_