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 31123
_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 . . . 31123 1
2 '2D COSY' . . . 31123 1
3 '2D TOCSY' . . . 31123 1
4 '2D ROESY' . . . 31123 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 TRP HA H 1 4.29 . . 1 . . . . A 329 TRP HA . 31123 1
2 . 1 . 1 1 1 TRP HB2 H 1 3.36 . . . . . . . A 329 TRP HB2 . 31123 1
3 . 1 . 1 1 1 TRP HB3 H 1 3.36 . . . . . . . A 329 TRP HB3 . 31123 1
4 . 1 . 1 1 1 TRP HD1 H 1 7.30 . . 1 . . . . A 329 TRP HD1 . 31123 1
5 . 1 . 1 1 1 TRP HE1 H 1 10.2 . . 1 . . . . A 329 TRP HE1 . 31123 1
6 . 1 . 1 1 1 TRP HE3 H 1 7.66 . . 1 . . . . A 329 TRP HE3 . 31123 1
7 . 1 . 1 1 1 TRP HZ2 H 1 7.51 . . 1 . . . . A 329 TRP HZ2 . 31123 1
8 . 1 . 1 1 1 TRP HZ3 H 1 7.17 . . 1 . . . . A 329 TRP HZ3 . 31123 1
9 . 1 . 1 1 1 TRP HH2 H 1 7.25 . . 1 . . . . A 329 TRP HH2 . 31123 1
10 . 1 . 1 2 2 CYS H H 1 7.68 . . 1 . . . . A 330 CYS H . 31123 1
11 . 1 . 1 2 2 CYS HA H 1 3.47 . . 1 . . . . A 330 CYS HA . 31123 1
12 . 1 . 1 2 2 CYS HB2 H 1 2.47 . . . . . . . A 330 CYS HB2 . 31123 1
13 . 1 . 1 2 2 CYS HB3 H 1 2.79 . . . . . . . A 330 CYS HB3 . 31123 1
14 . 1 . 1 3 3 ASP H H 1 7.24 . . 1 . . . . A 331 ASP H . 31123 1
15 . 1 . 1 3 3 ASP HA H 1 4.46 . . 1 . . . . A 331 ASP HA . 31123 1
16 . 1 . 1 3 3 ASP HB2 H 1 2.78 . . . . . . . A 331 ASP HB2 . 31123 1
17 . 1 . 1 3 3 ASP HB3 H 1 2.93 . . . . . . . A 331 ASP HB3 . 31123 1
18 . 1 . 1 4 4 ALA H H 1 8.38 . . 1 . . . . A 332 ALA H . 31123 1
19 . 1 . 1 4 4 ALA HA H 1 3.82 . . 1 . . . . A 332 ALA HA . 31123 1
20 . 1 . 1 4 4 ALA HB1 H 1 1.33 . . 1 . . . . A 332 ALA HB1 . 31123 1
21 . 1 . 1 4 4 ALA HB2 H 1 1.33 . . 1 . . . . A 332 ALA HB2 . 31123 1
22 . 1 . 1 4 4 ALA HB3 H 1 1.33 . . 1 . . . . A 332 ALA HB3 . 31123 1
23 . 1 . 1 5 5 ALA H H 1 7.93 . . 1 . . . . A 333 ALA H . 31123 1
24 . 1 . 1 5 5 ALA HA H 1 4.02 . . 1 . . . . A 333 ALA HA . 31123 1
25 . 1 . 1 5 5 ALA HB1 H 1 1.37 . . 1 . . . . A 333 ALA HB1 . 31123 1
26 . 1 . 1 5 5 ALA HB2 H 1 1.37 . . 1 . . . . A 333 ALA HB2 . 31123 1
27 . 1 . 1 5 5 ALA HB3 H 1 1.37 . . 1 . . . . A 333 ALA HB3 . 31123 1
28 . 1 . 1 6 6 CYS H H 1 7.64 . . 1 . . . . A 334 CYS H . 31123 1
29 . 1 . 1 6 6 CYS HA H 1 4.21 . . 1 . . . . A 334 CYS HA . 31123 1
30 . 1 . 1 6 6 CYS HB2 H 1 2.62 . . . . . . . A 334 CYS HB2 . 31123 1
31 . 1 . 1 6 6 CYS HB3 H 1 2.80 . . . . . . . A 334 CYS HB3 . 31123 1
32 . 1 . 1 7 7 CYS H H 1 7.71 . . 1 . . . . A 335 CYS H . 31123 1
33 . 1 . 1 7 7 CYS HA H 1 4.44 . . 1 . . . . A 335 CYS HA . 31123 1
34 . 1 . 1 7 7 CYS HB2 H 1 2.60 . . . . . . . A 335 CYS HB2 . 31123 1
35 . 1 . 1 7 7 CYS HB3 H 1 3.23 . . . . . . . A 335 CYS HB3 . 31123 1
36 . 1 . 1 8 8 ALA H H 1 8.14 . . 1 . . . . A 336 ALA H . 31123 1
37 . 1 . 1 8 8 ALA HA H 1 4.11 . . 1 . . . . A 336 ALA HA . 31123 1
38 . 1 . 1 8 8 ALA HB1 H 1 1.43 . . 1 . . . . A 336 ALA HB1 . 31123 1
39 . 1 . 1 8 8 ALA HB2 H 1 1.43 . . 1 . . . . A 336 ALA HB2 . 31123 1
40 . 1 . 1 8 8 ALA HB3 H 1 1.43 . . 1 . . . . A 336 ALA HB3 . 31123 1
41 . 1 . 1 9 9 ALA H H 1 7.83 . . 1 . . . . A 337 ALA H . 31123 1
42 . 1 . 1 9 9 ALA HA H 1 4.16 . . 1 . . . . A 337 ALA HA . 31123 1
43 . 1 . 1 9 9 ALA HB1 H 1 1.52 . . 1 . . . . A 337 ALA HB1 . 31123 1
44 . 1 . 1 9 9 ALA HB2 H 1 1.52 . . 1 . . . . A 337 ALA HB2 . 31123 1
45 . 1 . 1 9 9 ALA HB3 H 1 1.52 . . 1 . . . . A 337 ALA HB3 . 31123 1
46 . 1 . 1 10 10 ALA H H 1 7.97 . . 1 . . . . A 338 ALA H . 31123 1
47 . 1 . 1 10 10 ALA HA H 1 4.19 . . 1 . . . . A 338 ALA HA . 31123 1
48 . 1 . 1 10 10 ALA HB1 H 1 1.50 . . 1 . . . . A 338 ALA HB1 . 31123 1
49 . 1 . 1 10 10 ALA HB2 H 1 1.50 . . 1 . . . . A 338 ALA HB2 . 31123 1
50 . 1 . 1 10 10 ALA HB3 H 1 1.50 . . 1 . . . . A 338 ALA HB3 . 31123 1
51 . 1 . 1 11 11 LYS H H 1 7.73 . . 1 . . . . A 339 LYS H . 31123 1
52 . 1 . 1 11 11 LYS HA H 1 4.17 . . 1 . . . . A 339 LYS HA . 31123 1
53 . 1 . 1 11 11 LYS HB2 H 1 1.85 . . . . . . . A 339 LYS HB2 . 31123 1
54 . 1 . 1 11 11 LYS HB3 H 1 1.88 . . . . . . . A 339 LYS HB3 . 31123 1
55 . 1 . 1 11 11 LYS HG2 H 1 1.46 . . . . . . . A 339 LYS HG2 . 31123 1
56 . 1 . 1 11 11 LYS HG3 H 1 1.54 . . . . . . . A 339 LYS HG3 . 31123 1
57 . 1 . 1 11 11 LYS HD2 H 1 1.66 . . . . . . . A 339 LYS HD2 . 31123 1
58 . 1 . 1 11 11 LYS HD3 H 1 1.66 . . . . . . . A 339 LYS HD3 . 31123 1
59 . 1 . 1 11 11 LYS HE2 H 1 2.96 . . . . . . . A 339 LYS HE2 . 31123 1
60 . 1 . 1 11 11 LYS HE3 H 1 2.96 . . . . . . . A 339 LYS HE3 . 31123 1
61 . 1 . 1 11 11 LYS HZ1 H 1 7.52 . . 1 . . . . A 339 LYS HZ1 . 31123 1
62 . 1 . 1 11 11 LYS HZ2 H 1 7.52 . . 1 . . . . A 339 LYS HZ2 . 31123 1
63 . 1 . 1 11 11 LYS HZ3 H 1 7.52 . . 1 . . . . A 339 LYS HZ3 . 31123 1
64 . 1 . 1 12 12 ALA H H 1 7.71 . . 1 . . . . A 340 ALA H . 31123 1
65 . 1 . 1 12 12 ALA HA H 1 4.21 . . 1 . . . . A 340 ALA HA . 31123 1
66 . 1 . 1 12 12 ALA HB1 H 1 1.43 . . 1 . . . . A 340 ALA HB1 . 31123 1
67 . 1 . 1 12 12 ALA HB2 H 1 1.43 . . 1 . . . . A 340 ALA HB2 . 31123 1
68 . 1 . 1 12 12 ALA HB3 H 1 1.43 . . 1 . . . . A 340 ALA HB3 . 31123 1
69 . 1 . 1 13 13 NH2 HN1 H 1 6.92 . . 1 . . . . A 341 NH2 HN1 . 31123 1
70 . 1 . 1 13 13 NH2 HN2 H 1 7.21 . . 1 . . . . A 341 NH2 HN2 . 31123 1
71 . 2 . 2 1 1 ZBR H8 H 1 3.52 . . 1 . . . . A 401 ZBR H8 . 31123 1
72 . 2 . 2 1 1 ZBR H8A H 1 3.64 . . 1 . . . . A 401 ZBR H8A . 31123 1
73 . 2 . 2 1 1 ZBR H7 H 1 3.55 . . 1 . . . . A 401 ZBR H7 . 31123 1
74 . 2 . 2 1 1 ZBR H7A H 1 3.71 . . 1 . . . . A 401 ZBR H7A . 31123 1
75 . 2 . 2 1 1 ZBR H9 H 1 3.81 . . 1 . . . . A 401 ZBR H9 . 31123 1
76 . 2 . 2 1 1 ZBR H9A H 1 3.51 . . 1 . . . . A 401 ZBR H9A . 31123 1
77 . 2 . 2 1 1 ZBR H4 H 1 6.97 . . 1 . . . . A 401 ZBR H4 . 31123 1
78 . 2 . 2 1 1 ZBR H2 H 1 6.70 . . 1 . . . . A 401 ZBR H2 . 31123 1
79 . 2 . 2 1 1 ZBR H6 H 1 6.60 . . 1 . . . . A 401 ZBR H6 . 31123 1
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