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 18964
_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 .
_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' . . . 18964 1
2 '2D 1H-1H NOESY' . . . 18964 1
3 '2D DQF-COSY' . . . 18964 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 GLY HA2 H 1 3.979 0.000 . 1 . . . A 1 GLY HA2 . 18964 1
2 . 1 1 1 1 GLY HA3 H 1 3.979 0.000 . 1 . . . A 1 GLY HA3 . 18964 1
3 . 1 1 2 2 CYS H H 1 9.010 0.000 . 1 . . . A 2 CYS H . 18964 1
4 . 1 1 2 2 CYS HA H 1 4.661 0.000 . 1 . . . A 2 CYS HA . 18964 1
5 . 1 1 2 2 CYS HB2 H 1 2.904 0.000 . 1 . . . A 2 CYS HB2 . 18964 1
6 . 1 1 2 2 CYS HB3 H 1 3.334 0.000 . 1 . . . A 2 CYS HB3 . 18964 1
7 . 1 1 3 3 CYS H H 1 8.555 0.000 . 1 . . . A 3 CYS H . 18964 1
8 . 1 1 3 3 CYS HA H 1 4.605 0.000 . 1 . . . A 3 CYS HA . 18964 1
9 . 1 1 3 3 CYS HB2 H 1 2.887 0.000 . 1 . . . A 3 CYS HB2 . 18964 1
10 . 1 1 3 3 CYS HB3 H 1 3.493 0.000 . 1 . . . A 3 CYS HB3 . 18964 1
11 . 1 1 4 4 SER H H 1 7.895 0.000 . 1 . . . A 4 SER H . 18964 1
12 . 1 1 4 4 SER HA H 1 4.506 0.001 . 1 . . . A 4 SER HA . 18964 1
13 . 1 1 4 4 SER HB2 H 1 3.933 0.001 . 1 . . . A 4 SER HB2 . 18964 1
14 . 1 1 4 4 SER HB3 H 1 3.933 0.001 . 1 . . . A 4 SER HB3 . 18964 1
15 . 1 1 5 5 HIS H H 1 8.208 0.001 . 1 . . . A 5 HIS H . 18964 1
16 . 1 1 5 5 HIS HA H 1 5.180 0.000 . 1 . . . A 5 HIS HA . 18964 1
17 . 1 1 5 5 HIS HB2 H 1 3.456 0.000 . 1 . . . A 5 HIS HB2 . 18964 1
18 . 1 1 5 5 HIS HB3 H 1 3.335 0.000 . 1 . . . A 5 HIS HB3 . 18964 1
19 . 1 1 5 5 HIS HD2 H 1 7.415 0.000 . 1 . . . A 5 HIS HD2 . 18964 1
20 . 1 1 6 6 PRO HA H 1 4.353 0.000 . 1 . . . A 6 PRO HA . 18964 1
21 . 1 1 6 6 PRO HB2 H 1 2.420 0.000 . 1 . . . A 6 PRO HB2 . 18964 1
22 . 1 1 6 6 PRO HB3 H 1 2.005 0.000 . 1 . . . A 6 PRO HB3 . 18964 1
23 . 1 1 6 6 PRO HG2 H 1 2.099 0.000 . 1 . . . A 6 PRO HG2 . 18964 1
24 . 1 1 6 6 PRO HG3 H 1 2.099 0.000 . 1 . . . A 6 PRO HG3 . 18964 1
25 . 1 1 6 6 PRO HD2 H 1 3.693 0.000 . 1 . . . A 6 PRO HD2 . 18964 1
26 . 1 1 6 6 PRO HD3 H 1 3.934 0.000 . 1 . . . A 6 PRO HD3 . 18964 1
27 . 1 1 7 7 VAL H H 1 7.801 0.000 . 1 . . . A 7 VAL H . 18964 1
28 . 1 1 7 7 VAL HA H 1 3.967 0.000 . 1 . . . A 7 VAL HA . 18964 1
29 . 1 1 7 7 VAL HB H 1 2.132 0.000 . 1 . . . A 7 VAL HB . 18964 1
30 . 1 1 7 7 VAL HG11 H 1 0.956 0.000 . 1 . . . A 7 VAL HG11 . 18964 1
31 . 1 1 7 7 VAL HG12 H 1 0.956 0.000 . 1 . . . A 7 VAL HG12 . 18964 1
32 . 1 1 7 7 VAL HG13 H 1 0.956 0.000 . 1 . . . A 7 VAL HG13 . 18964 1
33 . 1 1 7 7 VAL HG21 H 1 1.018 0.000 . 1 . . . A 7 VAL HG21 . 18964 1
34 . 1 1 7 7 VAL HG22 H 1 1.018 0.000 . 1 . . . A 7 VAL HG22 . 18964 1
35 . 1 1 7 7 VAL HG23 H 1 1.018 0.000 . 1 . . . A 7 VAL HG23 . 18964 1
36 . 1 1 8 8 CYS H H 1 8.039 0.001 . 1 . . . A 8 CYS H . 18964 1
37 . 1 1 8 8 CYS HA H 1 4.297 0.000 . 1 . . . A 8 CYS HA . 18964 1
38 . 1 1 8 8 CYS HB2 H 1 3.966 0.000 . 1 . . . A 8 CYS HB2 . 18964 1
39 . 1 1 8 8 CYS HB3 H 1 3.765 0.001 . 1 . . . A 8 CYS HB3 . 18964 1
40 . 1 1 9 9 SER H H 1 8.554 0.001 . 1 . . . A 9 SER H . 18964 1
41 . 1 1 9 9 SER HA H 1 4.371 0.000 . 1 . . . A 9 SER HA . 18964 1
42 . 1 1 9 9 SER HB2 H 1 4.042 0.002 . 1 . . . A 9 SER HB2 . 18964 1
43 . 1 1 9 9 SER HB3 H 1 4.042 0.002 . 1 . . . A 9 SER HB3 . 18964 1
44 . 1 1 10 10 ALA H H 1 7.636 0.000 . 1 . . . A 10 ALA H . 18964 1
45 . 1 1 10 10 ALA HA H 1 4.261 0.000 . 1 . . . A 10 ALA HA . 18964 1
46 . 1 1 10 10 ALA HB1 H 1 1.519 0.001 . 1 . . . A 10 ALA HB1 . 18964 1
47 . 1 1 10 10 ALA HB2 H 1 1.519 0.001 . 1 . . . A 10 ALA HB2 . 18964 1
48 . 1 1 10 10 ALA HB3 H 1 1.519 0.001 . 1 . . . A 10 ALA HB3 . 18964 1
49 . 1 1 11 11 MET H H 1 7.628 0.000 . 1 . . . A 11 MET H . 18964 1
50 . 1 1 11 11 MET HA H 1 4.597 0.000 . 1 . . . A 11 MET HA . 18964 1
51 . 1 1 11 11 MET HB2 H 1 2.234 0.000 . 1 . . . A 11 MET HB2 . 18964 1
52 . 1 1 11 11 MET HB3 H 1 2.125 0.000 . 1 . . . A 11 MET HB3 . 18964 1
53 . 1 1 11 11 MET HG2 H 1 2.611 0.000 . 1 . . . A 11 MET HG2 . 18964 1
54 . 1 1 11 11 MET HG3 H 1 2.710 0.000 . 1 . . . A 11 MET HG3 . 18964 1
55 . 1 1 12 12 SER H H 1 7.577 0.000 . 1 . . . A 12 SER H . 18964 1
56 . 1 1 12 12 SER HA H 1 5.066 0.000 . 1 . . . A 12 SER HA . 18964 1
57 . 1 1 12 12 SER HB2 H 1 3.881 0.000 . 1 . . . A 12 SER HB2 . 18964 1
58 . 1 1 12 12 SER HB3 H 1 4.004 0.000 . 1 . . . A 12 SER HB3 . 18964 1
59 . 1 1 13 13 PRO HA H 1 4.495 0.000 . 1 . . . A 13 PRO HA . 18964 1
60 . 1 1 13 13 PRO HB2 H 1 2.419 0.000 . 1 . . . A 13 PRO HB2 . 18964 1
61 . 1 1 13 13 PRO HB3 H 1 2.419 0.000 . 1 . . . A 13 PRO HB3 . 18964 1
62 . 1 1 13 13 PRO HG2 H 1 2.011 0.000 . 1 . . . A 13 PRO HG2 . 18964 1
63 . 1 1 13 13 PRO HG3 H 1 2.078 0.000 . 1 . . . A 13 PRO HG3 . 18964 1
64 . 1 1 13 13 PRO HD2 H 1 3.960 0.000 . 1 . . . A 13 PRO HD2 . 18964 1
65 . 1 1 13 13 PRO HD3 H 1 3.960 0.000 . 1 . . . A 13 PRO HD3 . 18964 1
66 . 1 1 14 14 ILE H H 1 7.420 0.001 . 1 . . . A 14 ILE H . 18964 1
67 . 1 1 14 14 ILE HA H 1 4.186 0.000 . 1 . . . A 14 ILE HA . 18964 1
68 . 1 1 14 14 ILE HB H 1 1.971 0.000 . 1 . . . A 14 ILE HB . 18964 1
69 . 1 1 14 14 ILE HG12 H 1 1.473 0.000 . 1 . . . A 14 ILE HG12 . 18964 1
70 . 1 1 14 14 ILE HG13 H 1 1.253 0.000 . 1 . . . A 14 ILE HG13 . 18964 1
71 . 1 1 14 14 ILE HG21 H 1 0.951 0.000 . 1 . . . A 14 ILE HG21 . 18964 1
72 . 1 1 14 14 ILE HG22 H 1 0.951 0.000 . 1 . . . A 14 ILE HG22 . 18964 1
73 . 1 1 14 14 ILE HG23 H 1 0.951 0.000 . 1 . . . A 14 ILE HG23 . 18964 1
74 . 1 1 15 15 CYS H H 1 7.782 0.000 . 1 . . . A 15 CYS H . 18964 1
75 . 1 1 15 15 CYS HA H 1 4.754 0.001 . 1 . . . A 15 CYS HA . 18964 1
76 . 1 1 15 15 CYS HB2 H 1 3.405 0.001 . 1 . . . A 15 CYS HB2 . 18964 1
77 . 1 1 15 15 CYS HB3 H 1 3.144 0.000 . 1 . . . A 15 CYS HB3 . 18964 1
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