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 21060
_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 $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 DQF-COSY' 1 $sample_1 isotropic 21060 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21060 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21060 1
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loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $XEASY . . 21060 1
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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 3 3 CYS H H 1 8.429 0.001 . 1 . . . . . 3 CYS HN . 21060 1
2 . 1 . 1 3 3 CYS HA H 1 4.512 0.006 . 1 . . . . . 3 CYS HA . 21060 1
3 . 1 . 1 3 3 CYS HB2 H 1 3.345 0.005 . 2 . . . . . 3 CYS HB2 . 21060 1
4 . 1 . 1 3 3 CYS HB3 H 1 2.760 0.002 . 2 . . . . . 3 CYS HB3 . 21060 1
5 . 1 . 1 4 4 SER H H 1 7.679 0.002 . 1 . . . . . 4 SER HN . 21060 1
6 . 1 . 1 4 4 SER HA H 1 4.541 0.003 . 1 . . . . . 4 SER HA . 21060 1
7 . 1 . 1 4 4 SER HB2 H 1 3.988 0.005 . 2 . . . . . 4 SER HB2 . 21060 1
8 . 1 . 1 4 4 SER HB3 H 1 3.892 0.004 . 2 . . . . . 4 SER HB3 . 21060 1
9 . 1 . 1 5 5 ASN H H 1 8.036 0.001 . 1 . . . . . 5 ASN HN . 21060 1
10 . 1 . 1 5 5 ASN HA H 1 5.274 0.004 . 1 . . . . . 5 ASN HA . 21060 1
11 . 1 . 1 5 5 ASN HB2 H 1 3.168 0.002 . 2 . . . . . 5 ASN HB2 . 21060 1
12 . 1 . 1 5 5 ASN HB3 H 1 2.803 0.002 . 2 . . . . . 5 ASN HB3 . 21060 1
13 . 1 . 1 5 5 ASN HD21 H 1 7.704 0.003 . 2 . . . . . 5 ASN HD21 . 21060 1
14 . 1 . 1 5 5 ASN HD22 H 1 7.033 0.002 . 2 . . . . . 5 ASN HD22 . 21060 1
15 . 1 . 1 6 6 PRO HA H 1 4.202 0.003 . 1 . . . . . 6 PRO HA . 21060 1
16 . 1 . 1 6 6 PRO HB2 H 1 2.139 0.003 . 2 . . . . . 6 PRO HB2 . 21060 1
17 . 1 . 1 6 6 PRO HB3 H 1 2.373 0.001 . 2 . . . . . 6 PRO HB3 . 21060 1
18 . 1 . 1 6 6 PRO HD2 H 1 3.890 0.004 . 2 . . . . . 6 PRO HD2 . 21060 1
19 . 1 . 1 6 6 PRO HD3 H 1 4.020 0.003 . 2 . . . . . 6 PRO HD3 . 21060 1
20 . 1 . 1 6 6 PRO HG2 H 1 1.988 0.004 . 2 . . . . . 6 PRO QG . 21060 1
21 . 1 . 1 6 6 PRO HG3 H 1 1.988 0.004 . 2 . . . . . 6 PRO QG . 21060 1
22 . 1 . 1 7 7 ALA H H 1 7.710 0.002 . 1 . . . . . 7 ALA HN . 21060 1
23 . 1 . 1 7 7 ALA HA H 1 4.107 0.002 . 1 . . . . . 7 ALA HA . 21060 1
24 . 1 . 1 7 7 ALA HB1 H 1 1.372 0.003 . 1 . . . . . 7 ALA QB . 21060 1
25 . 1 . 1 7 7 ALA HB2 H 1 1.372 0.003 . 1 . . . . . 7 ALA QB . 21060 1
26 . 1 . 1 7 7 ALA HB3 H 1 1.372 0.003 . 1 . . . . . 7 ALA QB . 21060 1
27 . 1 . 1 8 8 CYS H H 1 7.806 0.002 . 1 . . . . . 8 CYS HN . 21060 1
28 . 1 . 1 8 8 CYS HA H 1 4.137 0.002 . 1 . . . . . 8 CYS HA . 21060 1
29 . 1 . 1 8 8 CYS HB2 H 1 3.289 0.004 . 2 . . . . . 8 CYS QB . 21060 1
30 . 1 . 1 8 8 CYS HB3 H 1 3.289 0.004 . 2 . . . . . 8 CYS QB . 21060 1
31 . 1 . 1 9 9 MET H H 1 8.483 0.001 . 1 . . . . . 9 MET HN . 21060 1
32 . 1 . 1 9 9 MET HA H 1 3.902 0.002 . 1 . . . . . 9 MET HA . 21060 1
33 . 1 . 1 9 9 MET HB2 H 1 2.126 0.004 . 2 . . . . . 9 MET QB . 21060 1
34 . 1 . 1 9 9 MET HB3 H 1 2.126 0.004 . 2 . . . . . 9 MET QB . 21060 1
35 . 1 . 1 9 9 MET HG2 H 1 2.465 0.001 . 2 . . . . . 9 MET HG2 . 21060 1
36 . 1 . 1 9 9 MET HG3 H 1 2.640 0.002 . 2 . . . . . 9 MET HG3 . 21060 1
37 . 1 . 1 10 10 LEU H H 1 7.639 0.001 . 1 . . . . . 10 LEU HN . 21060 1
38 . 1 . 1 10 10 LEU HA H 1 4.017 0.002 . 1 . . . . . 10 LEU HA . 21060 1
39 . 1 . 1 10 10 LEU HB2 H 1 1.712 0.002 . 2 . . . . . 10 LEU QB . 21060 1
40 . 1 . 1 10 10 LEU HB3 H 1 1.712 0.002 . 2 . . . . . 10 LEU QB . 21060 1
41 . 1 . 1 10 10 LEU HD11 H 1 0.858 0.004 . 2 . . . . . 10 LEU QQD . 21060 1
42 . 1 . 1 10 10 LEU HD12 H 1 0.858 0.004 . 2 . . . . . 10 LEU QQD . 21060 1
43 . 1 . 1 10 10 LEU HD13 H 1 0.858 0.004 . 2 . . . . . 10 LEU QQD . 21060 1
44 . 1 . 1 10 10 LEU HD21 H 1 0.858 0.004 . 2 . . . . . 10 LEU QQD . 21060 1
45 . 1 . 1 10 10 LEU HD22 H 1 0.858 0.004 . 2 . . . . . 10 LEU QQD . 21060 1
46 . 1 . 1 10 10 LEU HD23 H 1 0.858 0.004 . 2 . . . . . 10 LEU QQD . 21060 1
47 . 1 . 1 10 10 LEU HG H 1 1.553 0.002 . 1 . . . . . 10 LEU HG . 21060 1
48 . 1 . 1 11 11 LYS H H 1 7.094 0.002 . 1 . . . . . 11 LYS HN . 21060 1
49 . 1 . 1 11 11 LYS HA H 1 4.199 0.001 . 1 . . . . . 11 LYS HA . 21060 1
50 . 1 . 1 11 11 LYS HB2 H 1 1.930 0.001 . 2 . . . . . 11 LYS HB2 . 21060 1
51 . 1 . 1 11 11 LYS HB3 H 1 1.815 0.002 . 2 . . . . . 11 LYS HB3 . 21060 1
52 . 1 . 1 11 11 LYS HD2 H 1 1.716 0.002 . 2 . . . . . 11 LYS QD . 21060 1
53 . 1 . 1 11 11 LYS HD3 H 1 1.716 0.002 . 2 . . . . . 11 LYS QD . 21060 1
54 . 1 . 1 11 11 LYS HE2 H 1 2.968 0.005 . 2 . . . . . 11 LYS QE . 21060 1
55 . 1 . 1 11 11 LYS HE3 H 1 2.968 0.005 . 2 . . . . . 11 LYS QE . 21060 1
56 . 1 . 1 11 11 LYS HG2 H 1 1.464 0.002 . 2 . . . . . 11 LYS HG2 . 21060 1
57 . 1 . 1 11 11 LYS HG3 H 1 1.552 0.001 . 2 . . . . . 11 LYS HG3 . 21060 1
58 . 1 . 1 12 12 ASN H H 1 7.553 0.003 . 1 . . . . . 12 ASN HN . 21060 1
59 . 1 . 1 12 12 ASN HA H 1 5.239 0.003 . 1 . . . . . 12 ASN HA . 21060 1
60 . 1 . 1 12 12 ASN HB2 H 1 2.661 0.002 . 2 . . . . . 12 ASN QB . 21060 1
61 . 1 . 1 12 12 ASN HB3 H 1 2.661 0.002 . 2 . . . . . 12 ASN QB . 21060 1
62 . 1 . 1 12 12 ASN HD21 H 1 7.303 0.003 . 2 . . . . . 12 ASN HD21 . 21060 1
63 . 1 . 1 12 12 ASN HD22 H 1 7.581 0.002 . 2 . . . . . 12 ASN HD22 . 21060 1
64 . 1 . 1 13 13 PRO HA H 1 4.379 0.004 . 1 . . . . . 13 PRO HA . 21060 1
65 . 1 . 1 13 13 PRO HB2 H 1 2.290 0.002 . 2 . . . . . 13 PRO QB . 21060 1
66 . 1 . 1 13 13 PRO HB3 H 1 2.290 0.002 . 2 . . . . . 13 PRO QB . 21060 1
67 . 1 . 1 13 13 PRO HD2 H 1 3.650 0.002 . 2 . . . . . 13 PRO HD2 . 21060 1
68 . 1 . 1 13 13 PRO HD3 H 1 3.382 0.003 . 2 . . . . . 13 PRO HD3 . 21060 1
69 . 1 . 1 13 13 PRO HG2 H 1 1.928 0.006 . 2 . . . . . 13 PRO HG2 . 21060 1
70 . 1 . 1 13 13 PRO HG3 H 1 2.022 0.003 . 2 . . . . . 13 PRO HG3 . 21060 1
71 . 1 . 1 14 14 ASN H H 1 8.572 0.002 . 1 . . . . . 14 ASN HN . 21060 1
72 . 1 . 1 14 14 ASN HA H 1 4.531 0.003 . 1 . . . . . 14 ASN HA . 21060 1
73 . 1 . 1 14 14 ASN HB2 H 1 2.783 0.005 . 2 . . . . . 14 ASN QB . 21060 1
74 . 1 . 1 14 14 ASN HB3 H 1 2.783 0.005 . 2 . . . . . 14 ASN QB . 21060 1
75 . 1 . 1 14 14 ASN HD21 H 1 7.616 0.003 . 2 . . . . . 14 ASN HD21 . 21060 1
76 . 1 . 1 14 14 ASN HD22 H 1 6.993 0.002 . 2 . . . . . 14 ASN HD22 . 21060 1
77 . 1 . 1 15 15 LEU H H 1 7.431 0.002 . 1 . . . . . 15 LEU HN . 21060 1
78 . 1 . 1 15 15 LEU HA H 1 4.291 0.002 . 1 . . . . . 15 LEU HA . 21060 1
79 . 1 . 1 15 15 LEU HB2 H 1 1.718 0.001 . 2 . . . . . 15 LEU HB2 . 21060 1
80 . 1 . 1 15 15 LEU HB3 H 1 1.681 0.004 . 2 . . . . . 15 LEU HB3 . 21060 1
81 . 1 . 1 15 15 LEU HD11 H 1 0.791 0.002 . 2 . . . . . 15 LEU QD1 . 21060 1
82 . 1 . 1 15 15 LEU HD12 H 1 0.791 0.002 . 2 . . . . . 15 LEU QD1 . 21060 1
83 . 1 . 1 15 15 LEU HD13 H 1 0.791 0.002 . 2 . . . . . 15 LEU QD1 . 21060 1
84 . 1 . 1 15 15 LEU HD21 H 1 0.877 0.003 . 2 . . . . . 15 LEU QD2 . 21060 1
85 . 1 . 1 15 15 LEU HD22 H 1 0.877 0.003 . 2 . . . . . 15 LEU QD2 . 21060 1
86 . 1 . 1 15 15 LEU HD23 H 1 0.877 0.003 . 2 . . . . . 15 LEU QD2 . 21060 1
87 . 1 . 1 15 15 LEU HG H 1 1.489 0.002 . 1 . . . . . 15 LEU HG . 21060 1
88 . 1 . 1 16 16 CYS H H 1 7.702 0.003 . 1 . . . . . 16 CYS HN . 21060 1
89 . 1 . 1 16 16 CYS HA H 1 4.820 0.006 . 1 . . . . . 16 CYS HA . 21060 1
90 . 1 . 1 16 16 CYS HB2 H 1 3.313 0.003 . 2 . . . . . 16 CYS HB2 . 21060 1
91 . 1 . 1 16 16 CYS HB3 H 1 2.676 0.005 . 2 . . . . . 16 CYS HB3 . 21060 1
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save_