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 27759
_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' . . . 27759 1
2 '2D 1H-1H NOESY' . . . 27759 1
5 '2D 1H-15N HSQC' . . . 27759 1
stop_
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
2 $SPARKY . . 27759 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.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 LYS H H 1 8.66 0.02 . 1 . . . . . 1 LYS H . 27759 1
2 . 1 1 1 1 LYS HA H 1 4.26 0.02 . 1 . . . . . 1 LYS HA . 27759 1
3 . 1 1 1 1 LYS HB2 H 1 1.78 0.02 . 2 . . . . . 1 LYS HB2 . 27759 1
4 . 1 1 1 1 LYS HG2 H 1 1.43 0.02 . 2 . . . . . 1 LYS HG2 . 27759 1
5 . 1 1 1 1 LYS N N 15 124.05 0.02 . 1 . . . . . 1 LYS N . 27759 1
6 . 1 1 2 2 ALA H H 1 8.49 0.02 . 1 . . . . . 2 ALA H . 27759 1
7 . 1 1 2 2 ALA HA H 1 4.23 0.02 . 1 . . . . . 2 ALA HA . 27759 1
8 . 1 1 2 2 ALA HB1 H 1 1.33 0.02 . 1 . . . . . 2 ALA MB . 27759 1
9 . 1 1 2 2 ALA HB2 H 1 1.33 0.02 . 1 . . . . . 2 ALA MB . 27759 1
10 . 1 1 2 2 ALA HB3 H 1 1.33 0.02 . 1 . . . . . 2 ALA MB . 27759 1
11 . 1 1 2 2 ALA N N 15 125.40 0.02 . 1 . . . . . 2 ALA N . 27759 1
12 . 1 1 3 3 ARG H H 1 8.54 0.02 . 1 . . . . . 3 ARG H . 27759 1
13 . 1 1 3 3 ARG HA H 1 4.28 0.02 . 1 . . . . . 3 ARG HA . 27759 1
14 . 1 1 3 3 ARG HB2 H 1 1.76 0.02 . 2 . . . . . 3 ARG HB2 . 27759 1
15 . 1 1 3 3 ARG N N 15 127.19 0.02 . 1 . . . . . 3 ARG N . 27759 1
16 . 1 1 4 4 ALA H H 1 8.49 0.02 . 1 . . . . . 4 ALA H . 27759 1
17 . 1 1 4 4 ALA HA H 1 4.32 0.02 . 1 . . . . . 4 ALA HA . 27759 1
18 . 1 1 4 4 ALA HB1 H 1 1.33 0.02 . 1 . . . . . 4 ALA MB . 27759 1
19 . 1 1 4 4 ALA HB2 H 1 1.33 0.02 . 1 . . . . . 4 ALA MB . 27759 1
20 . 1 1 4 4 ALA HB3 H 1 1.33 0.02 . 1 . . . . . 4 ALA MB . 27759 1
21 . 1 1 4 4 ALA N N 15 122.54 0.02 . 1 . . . . . 4 ALA N . 27759 1
22 . 1 1 5 5 ALA H H 1 8.54 0.02 . 1 . . . . . 5 ALA H . 27759 1
23 . 1 1 5 5 ALA HA H 1 4.32 0.02 . 1 . . . . . 5 ALA HA . 27759 1
24 . 1 1 5 5 ALA HB1 H 1 1.35 0.02 . 1 . . . . . 5 ALA MB . 27759 1
25 . 1 1 5 5 ALA HB2 H 1 1.35 0.02 . 1 . . . . . 5 ALA MB . 27759 1
26 . 1 1 5 5 ALA HB3 H 1 1.35 0.02 . 1 . . . . . 5 ALA MB . 27759 1
27 . 1 1 5 5 ALA N N 15 123.38 0.02 . 1 . . . . . 5 ALA N . 27759 1
28 . 1 1 6 6 VAL H H 1 8.32 0.02 . 1 . . . . . 6 VAL H . 27759 1
29 . 1 1 6 6 VAL HA H 1 4.11 0.02 . 1 . . . . . 6 VAL HA . 27759 1
30 . 1 1 6 6 VAL HB H 1 2.08 0.02 . 1 . . . . . 6 VAL HB . 27759 1
31 . 1 1 6 6 VAL HG11 H 1 0.91 0.02 . 2 . . . . . 6 VAL MG1 . 27759 1
32 . 1 1 6 6 VAL HG12 H 1 0.91 0.02 . 2 . . . . . 6 VAL MG1 . 27759 1
33 . 1 1 6 6 VAL HG13 H 1 0.91 0.02 . 2 . . . . . 6 VAL MG1 . 27759 1
34 . 1 1 6 6 VAL N N 15 120.08 0.02 . 1 . . . . . 6 VAL N . 27759 1
35 . 1 1 7 7 SER H H 1 8.64 0.02 . 1 . . . . . 7 SER H . 27759 1
36 . 1 1 7 7 SER HA H 1 4.72 0.02 . 1 . . . . . 7 SER HA . 27759 1
37 . 1 1 7 7 SER HB2 H 1 3.84 0.02 . 2 . . . . . 7 SER HB2 . 27759 1
38 . 1 1 7 7 SER N N 15 121.81 0.02 . 1 . . . . . 7 SER N . 27759 1
39 . 1 1 8 8 PRO HA H 1 4.45 0.02 . 1 . . . . . 8 PRO HA . 27759 1
40 . 1 1 8 8 PRO HB2 H 1 2.01 0.02 . 2 . . . . . 8 PRO HB2 . 27759 1
41 . 1 1 8 8 PRO HG2 H 1 2.34 0.02 . 2 . . . . . 8 PRO HG2 . 27759 1
42 . 1 1 8 8 PRO HD2 H 1 3.72 0.02 . 2 . . . . . 8 PRO HD2 . 27759 1
43 . 1 1 9 9 GLN H H 1 8.54 0.02 . 1 . . . . . 9 GLN H . 27759 1
44 . 1 1 9 9 GLN HA H 1 4.29 0.02 . 1 . . . . . 9 GLN HA . 27759 1
45 . 1 1 9 9 GLN HB2 H 1 1.93 0.02 . 2 . . . . . 9 GLN HB2 . 27759 1
46 . 1 1 9 9 GLN HG2 H 1 2.34 0.02 . 2 . . . . . 9 GLN HG2 . 27759 1
47 . 1 1 9 9 GLN HE21 H 1 7.00 0.02 . 2 . . . . . 9 GLN HE21 . 27759 1
48 . 1 1 9 9 GLN HE22 H 1 7.66 0.02 . 2 . . . . . 9 GLN HE22 . 27759 1
49 . 1 1 9 9 GLN N N 15 121.20 0.02 . 1 . . . . . 9 GLN N . 27759 1
50 . 1 1 10 10 LYS H H 1 8.50 0.02 . 5 . . . . . 10 LYS H . 27759 1
51 . 1 1 10 10 LYS HA H 1 4.29 0.02 . 5 . . . . . 10 LYS HA . 27759 1
52 . 1 1 10 10 LYS HB2 H 1 1.72 0.02 . 5 . . . . . 10 LYS HB2 . 27759 1
53 . 1 1 10 10 LYS N N 15 123.44 0.02 . 5 . . . . . 10 LYS N . 27759 1
54 . 1 1 11 11 ARG H H 1 8.53 0.02 . 1 . . . . . 11 ARG H . 27759 1
55 . 1 1 11 11 ARG HA H 1 4.36 0.02 . 1 . . . . . 11 ARG HA . 27759 1
56 . 1 1 11 11 ARG HB2 H 1 1.76 0.02 . 2 . . . . . 11 ARG HB2 . 27759 1
57 . 1 1 11 11 ARG N N 15 120.92 0.02 . 1 . . . . . 11 ARG N . 27759 1
58 . 1 1 12 12 LYS H H 1 8.50 0.02 . 5 . . . . . 12 LYS H . 27759 1
59 . 1 1 12 12 LYS HA H 1 4.27 0.02 . 5 . . . . . 12 LYS HA . 27759 1
60 . 1 1 12 12 LYS HB2 H 1 1.72 0.02 . 5 . . . . . 12 LYS HB2 . 27759 1
61 . 1 1 12 12 LYS N N 15 123.44 0.02 . 5 . . . . . 12 LYS N . 27759 1
62 . 1 1 13 13 SER H H 1 8.50 0.02 . 1 . . . . . 13 SER H . 27759 1
63 . 1 1 13 13 SER HA H 1 4.40 0.02 . 1 . . . . . 13 SER HA . 27759 1
64 . 1 1 13 13 SER HB2 H 1 3.77 0.02 . 2 . . . . . 13 SER HB2 . 27759 1
65 . 1 1 13 13 SER HB3 H 1 3.80 0.02 . 2 . . . . . 13 SER HB3 . 27759 1
66 . 1 1 13 13 SER N N 15 116.94 0.02 . 1 . . . . . 13 SER N . 27759 1
67 . 1 1 14 14 ASP H H 1 8.48 0.02 . 1 . . . . . 14 ASP H . 27759 1
68 . 1 1 14 14 ASP HA H 1 4.72 0.02 . 1 . . . . . 14 ASP HA . 27759 1
69 . 1 1 14 14 ASP HB2 H 1 2.67 0.02 . 2 . . . . . 14 ASP HB2 . 27759 1
70 . 1 1 14 14 ASP HB3 H 1 2.75 0.02 . 2 . . . . . 14 ASP HB3 . 27759 1
71 . 1 1 14 14 ASP N N 15 126.13 0.02 . 1 . . . . . 14 ASP N . 27759 1
72 . 1 1 15 15 GLY H H 1 8.25 0.02 . 1 . . . . . 15 GLY H . 27759 1
73 . 1 1 15 15 GLY HA2 H 1 4.12 0.02 . 2 . . . . . 15 GLY HA2 . 27759 1
74 . 1 1 15 15 GLY N N 15 108.55 0.02 . 1 . . . . . 15 GLY N . 27759 1
75 . 1 1 16 16 PRO HA H 1 4.43 0.02 . 1 . . . . . 16 PRO HA . 27759 1
76 . 1 1 16 16 PRO HB2 H 1 2.23 0.02 . 2 . . . . . 16 PRO HB2 . 27759 1
77 . 1 1 16 16 PRO HG2 H 1 2.34 0.02 . 2 . . . . . 16 PRO HG2 . 27759 1
78 . 1 1 16 16 PRO HD2 H 1 3.67 0.02 . 2 . . . . . 16 PRO HD2 . 27759 1
79 . 1 1 16 16 PRO HD3 H 1 3.88 0.02 . 2 . . . . . 16 PRO HD3 . 27759 1
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loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 50 27759 1
1 58 27759 1
2 51 27759 1
2 59 27759 1
3 52 27759 1
3 60 27759 1
4 53 27759 1
4 61 27759 1
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save_