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 21014
_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
2 '2D DQF-COSY' . . . 21014 1
3 '2D 1H-1H NOESY' . . . 21014 1
4 '2D 1H-1H NOESY' . . . 21014 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_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 MET HA H 1 4.058 0.001 . 1 . . . . 1 MET HA . 21014 1
2 . 1 1 1 1 MET HB2 H 1 2.161 0.003 . 2 . . . . 1 MET QB . 21014 1
3 . 1 1 1 1 MET HB3 H 1 2.161 0.003 . 2 . . . . 1 MET QB . 21014 1
4 . 1 1 1 1 MET HG2 H 1 2.677 0.002 . 2 . . . . 1 MET QG . 21014 1
5 . 1 1 1 1 MET HG3 H 1 2.677 0.002 . 2 . . . . 1 MET QG . 21014 1
6 . 1 1 2 2 CYS H H 1 8.854 0.004 . 1 . . . . 2 CYSS HN . 21014 1
7 . 1 1 2 2 CYS HA H 1 4.590 0.004 . 1 . . . . 2 CYSS HA . 21014 1
8 . 1 1 2 2 CYS HB2 H 1 3.414 0.002 . 2 . . . . 2 CYSS HB2 . 21014 1
9 . 1 1 2 2 CYS HB3 H 1 2.793 0.001 . 2 . . . . 2 CYSS HB3 . 21014 1
10 . 1 1 3 3 PRO HA H 1 4.135 0.000 . 1 . . . . 3 PRO HA . 21014 1
11 . 1 1 3 3 PRO HB2 H 1 2.392 0.000 . 2 . . . . 3 PRO HB2 . 21014 1
12 . 1 1 4 4 PRO HA H 1 4.696 0.001 . 1 . . . . 4 PRO HA . 21014 1
13 . 1 1 4 4 PRO HB2 H 1 2.429 0.000 . 2 . . . . 4 PRO HB2 . 21014 1
14 . 1 1 4 4 PRO HB3 H 1 2.282 0.000 . 2 . . . . 4 PRO HB3 . 21014 1
15 . 1 1 4 4 PRO HD2 H 1 3.599 0.004 . 2 . . . . 4 PRO QD . 21014 1
16 . 1 1 4 4 PRO HD3 H 1 3.599 0.004 . 2 . . . . 4 PRO QD . 21014 1
17 . 1 1 4 4 PRO HG2 H 1 2.064 0.000 . 2 . . . . 4 PRO QG . 21014 1
18 . 1 1 4 4 PRO HG3 H 1 2.064 0.000 . 2 . . . . 4 PRO QG . 21014 1
19 . 1 1 5 5 LEU H H 1 9.175 0.002 . 1 . . . . 5 LEU HN . 21014 1
20 . 1 1 5 5 LEU HA H 1 4.770 0.002 . 1 . . . . 5 LEU HA . 21014 1
21 . 1 1 5 5 LEU HB2 H 1 1.635 0.002 . 2 . . . . 5 LEU QB . 21014 1
22 . 1 1 5 5 LEU HB3 H 1 1.635 0.002 . 2 . . . . 5 LEU QB . 21014 1
23 . 1 1 5 5 LEU HD11 H 1 0.874 0.002 . 2 . . . . 5 LEU QD1 . 21014 1
24 . 1 1 5 5 LEU HD12 H 1 0.874 0.002 . 2 . . . . 5 LEU QD1 . 21014 1
25 . 1 1 5 5 LEU HD13 H 1 0.874 0.002 . 2 . . . . 5 LEU QD1 . 21014 1
26 . 1 1 5 5 LEU HD21 H 1 0.932 0.003 . 2 . . . . 5 LEU QD2 . 21014 1
27 . 1 1 5 5 LEU HD22 H 1 0.932 0.003 . 2 . . . . 5 LEU QD2 . 21014 1
28 . 1 1 5 5 LEU HD23 H 1 0.932 0.003 . 2 . . . . 5 LEU QD2 . 21014 1
29 . 1 1 5 5 LEU HG H 1 1.528 0.001 . 1 . . . . 5 LEU HG . 21014 1
30 . 1 1 6 6 CYS H H 1 8.399 0.003 . 1 . . . . 6 CYSS HN . 21014 1
31 . 1 1 6 6 CYS HA H 1 4.893 0.005 . 1 . . . . 6 CYSS HA . 21014 1
32 . 1 1 6 6 CYS HB2 H 1 3.253 0.004 . 2 . . . . 6 CYSS HB2 . 21014 1
33 . 1 1 6 6 CYS HB3 H 1 2.934 0.003 . 2 . . . . 6 CYSS HB3 . 21014 1
34 . 1 1 7 7 LYS H H 1 8.555 0.003 . 1 . . . . 7 LYS HN . 21014 1
35 . 1 1 7 7 LYS HA H 1 4.615 0.001 . 1 . . . . 7 LYS HA . 21014 1
36 . 1 1 7 7 LYS HB2 H 1 1.826 0.005 . 2 . . . . 7 LYS QB . 21014 1
37 . 1 1 7 7 LYS HB3 H 1 1.826 0.005 . 2 . . . . 7 LYS QB . 21014 1
38 . 1 1 7 7 LYS HD2 H 1 1.701 0.003 . 2 . . . . 7 LYS QD . 21014 1
39 . 1 1 7 7 LYS HD3 H 1 1.701 0.003 . 2 . . . . 7 LYS QD . 21014 1
40 . 1 1 7 7 LYS HE2 H 1 2.996 0.005 . 2 . . . . 7 LYS QE . 21014 1
41 . 1 1 7 7 LYS HE3 H 1 2.996 0.005 . 2 . . . . 7 LYS QE . 21014 1
42 . 1 1 7 7 LYS HG2 H 1 1.456 0.002 . 2 . . . . 7 LYS QG . 21014 1
43 . 1 1 7 7 LYS HG3 H 1 1.456 0.002 . 2 . . . . 7 LYS QG . 21014 1
44 . 1 1 7 7 LYS HZ1 H 1 7.547 0.005 . 1 . . . . 7 LYS QZ . 21014 1
45 . 1 1 7 7 LYS HZ2 H 1 7.547 0.005 . 1 . . . . 7 LYS QZ . 21014 1
46 . 1 1 7 7 LYS HZ3 H 1 7.547 0.005 . 1 . . . . 7 LYS QZ . 21014 1
47 . 1 1 8 8 PRO HA H 1 4.463 0.002 . 1 . . . . 8 PRO HA . 21014 1
48 . 1 1 8 8 PRO HB2 H 1 2.346 0.005 . 2 . . . . 8 PRO HB2 . 21014 1
49 . 1 1 8 8 PRO HB3 H 1 1.975 0.004 . 2 . . . . 8 PRO HB3 . 21014 1
50 . 1 1 8 8 PRO HD2 H 1 3.827 0.004 . 2 . . . . 8 PRO HD2 . 21014 1
51 . 1 1 8 8 PRO HD3 H 1 3.648 0.004 . 2 . . . . 8 PRO HD3 . 21014 1
52 . 1 1 8 8 PRO HG2 H 1 2.038 0.001 . 2 . . . . 8 PRO QG . 21014 1
53 . 1 1 8 8 PRO HG3 H 1 2.038 0.001 . 2 . . . . 8 PRO QG . 21014 1
54 . 1 1 9 9 SER H H 1 8.543 0.002 . 1 . . . . 9 SER HN . 21014 1
55 . 1 1 9 9 SER HA H 1 4.419 0.004 . 1 . . . . 9 SER HA . 21014 1
56 . 1 1 9 9 SER HB2 H 1 3.878 0.002 . 2 . . . . 9 SER QB . 21014 1
57 . 1 1 9 9 SER HB3 H 1 3.878 0.002 . 2 . . . . 9 SER QB . 21014 1
58 . 1 1 10 10 CYS H H 1 8.331 0.002 . 1 . . . . 10 CYSS HN . 21014 1
59 . 1 1 10 10 CYS HA H 1 4.724 0.003 . 1 . . . . 10 CYSS HA . 21014 1
60 . 1 1 10 10 CYS HB2 H 1 3.281 0.003 . 2 . . . . 10 CYSS QB . 21014 1
61 . 1 1 10 10 CYS HB3 H 1 3.281 0.003 . 2 . . . . 10 CYSS QB . 21014 1
62 . 1 1 11 11 THR H H 1 8.764 0.004 . 1 . . . . 11 THR HN . 21014 1
63 . 1 1 11 11 THR HA H 1 4.292 0.005 . 1 . . . . 11 THR HA . 21014 1
64 . 1 1 11 11 THR HB H 1 4.183 0.004 . 1 . . . . 11 THR HB . 21014 1
65 . 1 1 11 11 THR HG21 H 1 1.224 0.004 . 1 . . . . 11 THR QG2 . 21014 1
66 . 1 1 11 11 THR HG22 H 1 1.224 0.004 . 1 . . . . 11 THR QG2 . 21014 1
67 . 1 1 11 11 THR HG23 H 1 1.224 0.004 . 1 . . . . 11 THR QG2 . 21014 1
68 . 1 1 12 12 ASN H H 1 8.578 0.002 . 1 . . . . 12 ASN HN . 21014 1
69 . 1 1 12 12 ASN HA H 1 4.787 0.003 . 1 . . . . 12 ASN HA . 21014 1
70 . 1 1 12 12 ASN HB2 H 1 2.895 0.003 . 2 . . . . 12 ASN QB . 21014 1
71 . 1 1 12 12 ASN HB3 H 1 2.895 0.003 . 2 . . . . 12 ASN QB . 21014 1
72 . 1 1 12 12 ASN HD21 H 1 7.644 0.001 . 2 . . . . 12 ASN HD21 . 21014 1
73 . 1 1 12 12 ASN HD22 H 1 6.894 0.000 . 2 . . . . 12 ASN HD22 . 21014 1
74 . 1 1 13 13 CYS H H 1 8.074 0.001 . 1 . . . . 13 CYSS HN . 21014 1
75 . 1 1 13 13 CYS HA H 1 4.674 0.000 . 1 . . . . 13 CYSS HA . 21014 1
76 . 1 1 13 13 CYS HB2 H 1 3.201 0.003 . 2 . . . . 13 CYSS QB . 21014 1
77 . 1 1 13 13 CYS HB3 H 1 3.201 0.003 . 2 . . . . 13 CYSS QB . 21014 1
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