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 31169
_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 TOCSY' . . . 31169 1
2 '2D 1H-1H NOESY' . . . 31169 1
3 '2D 1H-13C HSQC' . . . 31169 1
4 '2D 1H-15N HSQC' . . . 31169 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 HIS HA H 1 4.271 0.000 . . . . . . A 1 HIS HA . 31169 1
2 . 1 . 1 1 1 HIS HB2 H 1 3.358 0.000 . . . . . . A 1 HIS HB2 . 31169 1
3 . 1 . 1 1 1 HIS HB3 H 1 3.244 0.000 . . . . . . A 1 HIS HB3 . 31169 1
4 . 1 . 1 1 1 HIS CA C 13 54.553 0.000 . . . . . . A 1 HIS CA . 31169 1
5 . 1 . 1 1 1 HIS CB C 13 28.899 0.000 . . . . . . A 1 HIS CB . 31169 1
6 . 1 . 1 2 2 CYS H H 1 8.864 0.000 . . . . . . A 2 CYS H . 31169 1
7 . 1 . 1 2 2 CYS HA H 1 4.846 0.000 . . . . . . A 2 CYS HA . 31169 1
8 . 1 . 1 2 2 CYS HB2 H 1 3.056 0.000 . . . . . . A 2 CYS HB2 . 31169 1
9 . 1 . 1 2 2 CYS HB3 H 1 2.967 0.000 . . . . . . A 2 CYS HB3 . 31169 1
10 . 1 . 1 2 2 CYS CA C 13 54.802 0.000 . . . . . . A 2 CYS CA . 31169 1
11 . 1 . 1 2 2 CYS CB C 13 41.928 0.000 . . . . . . A 2 CYS CB . 31169 1
12 . 1 . 1 2 2 CYS N N 15 122.308 0.000 . . . . . . A 2 CYS N . 31169 1
13 . 1 . 1 3 3 THR H H 1 8.688 0.000 . . . . . . A 3 THR H . 31169 1
14 . 1 . 1 3 3 THR HA H 1 4.596 0.000 . . . . . . A 3 THR HA . 31169 1
15 . 1 . 1 3 3 THR HB H 1 4.268 0.000 . . . . . . A 3 THR HB . 31169 1
16 . 1 . 1 3 3 THR HG21 H 1 1.315 0.005 . . . . . . A 3 THR HG21 . 31169 1
17 . 1 . 1 3 3 THR HG22 H 1 1.315 0.005 . . . . . . A 3 THR HG22 . 31169 1
18 . 1 . 1 3 3 THR HG23 H 1 1.315 0.005 . . . . . . A 3 THR HG23 . 31169 1
19 . 1 . 1 3 3 THR CA C 13 60.316 0.000 . . . . . . A 3 THR CA . 31169 1
20 . 1 . 1 3 3 THR CB C 13 68.984 0.000 . . . . . . A 3 THR CB . 31169 1
21 . 1 . 1 3 3 THR CG2 C 13 21.561 0.000 . . . . . . A 3 THR CG2 . 31169 1
22 . 1 . 1 3 3 THR N N 15 120.072 0.000 . . . . . . A 3 THR N . 31169 1
23 . 1 . 1 4 4 PRO HA H 1 4.262 0.000 . . . . . . A 4 PRO HA . 31169 1
24 . 1 . 1 4 4 PRO HB2 H 1 2.277 0.000 . . . . . . A 4 PRO HB2 . 31169 1
25 . 1 . 1 4 4 PRO HB3 H 1 1.866 0.000 . . . . . . A 4 PRO HB3 . 31169 1
26 . 1 . 1 4 4 PRO HG2 H 1 2.095 0.000 . . . . . . A 4 PRO HG2 . 31169 1
27 . 1 . 1 4 4 PRO HG3 H 1 1.979 0.000 . . . . . . A 4 PRO HG3 . 31169 1
28 . 1 . 1 4 4 PRO HD2 H 1 3.990 0.002 . . . . . . A 4 PRO HD2 . 31169 1
29 . 1 . 1 4 4 PRO HD3 H 1 3.744 0.004 . . . . . . A 4 PRO HD3 . 31169 1
30 . 1 . 1 4 4 PRO CA C 13 64.134 0.000 . . . . . . A 4 PRO CA . 31169 1
31 . 1 . 1 4 4 PRO CB C 13 31.669 0.000 . . . . . . A 4 PRO CB . 31169 1
32 . 1 . 1 4 4 PRO CG C 13 27.446 0.000 . . . . . . A 4 PRO CG . 31169 1
33 . 1 . 1 4 4 PRO CD C 13 51.029 0.000 . . . . . . A 4 PRO CD . 31169 1
34 . 1 . 1 5 5 ASN H H 1 8.591 0.000 . . . . . . A 5 ASN H . 31169 1
35 . 1 . 1 5 5 ASN HA H 1 4.469 0.000 . . . . . . A 5 ASN HA . 31169 1
36 . 1 . 1 5 5 ASN HB2 H 1 2.890 0.000 . 2 . . . . A 5 ASN HB2 . 31169 1
37 . 1 . 1 5 5 ASN HB3 H 1 2.890 0.000 . 2 . . . . A 5 ASN HB3 . 31169 1
38 . 1 . 1 5 5 ASN HD21 H 1 7.649 0.000 . . . . . . A 5 ASN HD21 . 31169 1
39 . 1 . 1 5 5 ASN HD22 H 1 6.975 0.000 . . . . . . A 5 ASN HD22 . 31169 1
40 . 1 . 1 5 5 ASN CA C 13 53.827 0.000 . . . . . . A 5 ASN CA . 31169 1
41 . 1 . 1 5 5 ASN CB C 13 37.451 0.000 . . . . . . A 5 ASN CB . 31169 1
42 . 1 . 1 5 5 ASN N N 15 115.432 0.000 . . . . . . A 5 ASN N . 31169 1
43 . 1 . 1 6 6 SER H H 1 7.870 0.000 . . . . . . A 6 SER H . 31169 1
44 . 1 . 1 6 6 SER HA H 1 4.451 0.000 . . . . . . A 6 SER HA . 31169 1
45 . 1 . 1 6 6 SER HB2 H 1 3.873 0.000 . . . . . . A 6 SER HB2 . 31169 1
46 . 1 . 1 6 6 SER HB3 H 1 3.816 0.000 . . . . . . A 6 SER HB3 . 31169 1
47 . 1 . 1 6 6 SER CA C 13 57.903 0.000 . . . . . . A 6 SER CA . 31169 1
48 . 1 . 1 6 6 SER CB C 13 64.225 0.000 . . . . . . A 6 SER CB . 31169 1
49 . 1 . 1 6 6 SER N N 15 113.891 0.000 . . . . . . A 6 SER N . 31169 1
50 . 1 . 1 7 7 ASN H H 1 8.583 0.000 . . . . . . A 7 ASN H . 31169 1
51 . 1 . 1 7 7 ASN HA H 1 4.560 0.000 . . . . . . A 7 ASN HA . 31169 1
52 . 1 . 1 7 7 ASN HB2 H 1 2.733 0.000 . 2 . . . . A 7 ASN HB2 . 31169 1
53 . 1 . 1 7 7 ASN HB3 H 1 2.733 0.000 . 2 . . . . A 7 ASN HB3 . 31169 1
54 . 1 . 1 7 7 ASN CA C 13 53.429 0.000 . . . . . . A 7 ASN CA . 31169 1
55 . 1 . 1 7 7 ASN CB C 13 38.158 0.000 . . . . . . A 7 ASN CB . 31169 1
56 . 1 . 1 7 7 ASN N N 15 119.978 0.000 . . . . . . A 7 ASN N . 31169 1
57 . 1 . 1 8 8 HIS H H 1 8.364 0.000 . . . . . . A 8 HIS H . 31169 1
58 . 1 . 1 8 8 HIS HA H 1 4.413 0.000 . . . . . . A 8 HIS HA . 31169 1
59 . 1 . 1 8 8 HIS HB2 H 1 3.123 0.000 . . . . . . A 8 HIS HB2 . 31169 1
60 . 1 . 1 8 8 HIS HB3 H 1 3.028 0.000 . . . . . . A 8 HIS HB3 . 31169 1
61 . 1 . 1 8 8 HIS HD2 H 1 7.132 0.001 . . . . . . A 8 HIS HD2 . 31169 1
62 . 1 . 1 8 8 HIS CA C 13 55.022 0.000 . . . . . . A 8 HIS CA . 31169 1
63 . 1 . 1 8 8 HIS CB C 13 27.881 0.000 . . . . . . A 8 HIS CB . 31169 1
64 . 1 . 1 8 8 HIS N N 15 116.737 0.000 . . . . . . A 8 HIS N . 31169 1
65 . 1 . 1 9 9 CYS H H 1 8.226 0.000 . . . . . . A 9 CYS H . 31169 1
66 . 1 . 1 9 9 CYS HA H 1 4.735 0.000 . . . . . . A 9 CYS HA . 31169 1
67 . 1 . 1 9 9 CYS HB2 H 1 2.981 0.000 . . . . . . A 9 CYS HB2 . 31169 1
68 . 1 . 1 9 9 CYS HB3 H 1 2.846 0.000 . . . . . . A 9 CYS HB3 . 31169 1
69 . 1 . 1 9 9 CYS CA C 13 55.467 0.000 . . . . . . A 9 CYS CA . 31169 1
70 . 1 . 1 9 9 CYS CB C 13 41.638 0.000 . . . . . . A 9 CYS CB . 31169 1
71 . 1 . 1 9 9 CYS N N 15 120.200 0.000 . . . . . . A 9 CYS N . 31169 1
72 . 1 . 1 10 10 TRP H H 1 8.316 0.000 . . . . . . A 10 TRP H . 31169 1
73 . 1 . 1 10 10 TRP HA H 1 4.732 0.000 . . . . . . A 10 TRP HA . 31169 1
74 . 1 . 1 10 10 TRP HB2 H 1 3.319 0.000 . . . . . . A 10 TRP HB2 . 31169 1
75 . 1 . 1 10 10 TRP HB3 H 1 3.200 0.000 . . . . . . A 10 TRP HB3 . 31169 1
76 . 1 . 1 10 10 TRP HD1 H 1 7.231 0.000 . . . . . . A 10 TRP HD1 . 31169 1
77 . 1 . 1 10 10 TRP HE3 H 1 7.667 0.000 . . . . . . A 10 TRP HE3 . 31169 1
78 . 1 . 1 10 10 TRP HZ2 H 1 7.569 0.000 . . . . . . A 10 TRP HZ2 . 31169 1
79 . 1 . 1 10 10 TRP HZ3 H 1 7.158 0.000 . . . . . . A 10 TRP HZ3 . 31169 1
80 . 1 . 1 10 10 TRP CA C 13 56.615 0.000 . . . . . . A 10 TRP CA . 31169 1
81 . 1 . 1 10 10 TRP CB C 13 29.892 0.000 . . . . . . A 10 TRP CB . 31169 1
82 . 1 . 1 10 10 TRP N N 15 124.356 0.000 . . . . . . A 10 TRP N . 31169 1
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