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 15515
_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 NOESY' . . . 15515 1
2 '2D TOCSY' . . . 15515 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
1 $TOPSPIN . . 15515 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 2 2 TRP H H 1 8.13 0.01 . 1 . . . . 1 TRP H . 15515 1
2 . 1 1 2 2 TRP HA H 1 4.69 0.01 . 1 . . . . 1 TRP HA . 15515 1
3 . 1 1 2 2 TRP HB2 H 1 3.21 0.01 . 2 . . . . 1 TRP HB2 . 15515 1
4 . 1 1 2 2 TRP HB3 H 1 3.11 0.01 . 2 . . . . 1 TRP HB3 . 15515 1
5 . 1 1 2 2 TRP HD1 H 1 7.40 0.01 . 1 . . . . 1 TRP HD1 . 15515 1
6 . 1 1 2 2 TRP HE1 H 1 10.20 0.01 . 1 . . . . 1 TRP HE1 . 15515 1
7 . 1 1 2 2 TRP HE3 H 1 7.46 0.01 . 1 . . . . 1 TRP HE3 . 15515 1
8 . 1 1 2 2 TRP HZ2 H 1 7.19 0.01 . 4 . . . . 1 TRP HZ2 . 15515 1
9 . 1 1 2 2 TRP HZ3 H 1 7.36 0.01 . 4 . . . . 1 TRP HZ3 . 15515 1
10 . 1 1 3 3 DSG H H 1 8.07 0.01 . 1 . . . . 2 DSG H . 15515 1
11 . 1 1 3 3 DSG HA H 1 4.65 0.01 . 1 . . . . 2 DSG HA . 15515 1
12 . 1 1 3 3 DSG HB2 H 1 2.57 0.01 . 2 . . . . 2 DSG HB2 . 15515 1
13 . 1 1 3 3 DSG HD21 H 1 7.43 0.01 . 2 . . . . 2 DSG HD21 . 15515 1
14 . 1 1 3 3 DSG HD22 H 1 6.75 0.01 . 2 . . . . 2 DSG HD22 . 15515 1
15 . 1 1 4 4 ASP H H 1 8.09 0.01 . 1 . . . . 3 ASP H . 15515 1
16 . 1 1 4 4 ASP HA H 1 4.37 0.01 . 1 . . . . 3 ASP HA . 15515 1
17 . 1 1 4 4 ASP HB2 H 1 2.54 0.01 . 2 . . . . 3 ASP HB2 . 15515 1
18 . 1 1 4 4 ASP HB3 H 1 2.65 0.01 . 2 . . . . 3 ASP HB3 . 15515 1
19 . 1 1 5 5 THR H H 1 8.08 0.01 . 1 . . . . 4 THR H . 15515 1
20 . 1 1 5 5 THR HA H 1 4.52 0.01 . 1 . . . . 4 THR HA . 15515 1
21 . 1 1 5 5 THR HB H 1 5.39 0.01 . 1 . . . . 4 THR HB . 15515 1
22 . 1 1 5 5 THR HG21 H 1 1.10 0.01 . 1 . . . . 4 THR HG2 . 15515 1
23 . 1 1 5 5 THR HG22 H 1 1.10 0.01 . 1 . . . . 4 THR HG2 . 15515 1
24 . 1 1 5 5 THR HG23 H 1 1.10 0.01 . 1 . . . . 4 THR HG2 . 15515 1
25 . 1 1 6 6 GLY H H 1 8.30 0.01 . 1 . . . . 5 GLY H . 15515 1
26 . 1 1 6 6 GLY HA2 H 1 3.99 0.01 . 2 . . . . 5 GLY HA2 . 15515 1
27 . 1 1 6 6 GLY HA3 H 1 3.89 0.02 . 2 . . . . 5 GLY HA3 . 15515 1
28 . 1 1 7 7 ORN H H 1 8.09 0.01 . 1 . . . . 6 ORN H . 15515 1
29 . 1 1 7 7 ORN HA H 1 4.29 0.01 . 1 . . . . 6 ORN HA . 15515 1
30 . 1 1 7 7 ORN HB2 H 1 1.79 0.01 . 2 . . . . 6 ORN HB2 . 15515 1
31 . 1 1 7 7 ORN HB3 H 1 1.88 0.02 . 2 . . . . 6 ORN HB3 . 15515 1
32 . 1 1 7 7 ORN HG H 1 1.71 0.01 . 1 . . . . 6 ORN HG . 15515 1
33 . 1 1 8 8 ASP H H 1 8.31 0.01 . 1 . . . . 7 ASP H . 15515 1
34 . 1 1 8 8 ASP HA H 1 4.53 0.01 . 1 . . . . 7 ASP HA . 15515 1
35 . 1 1 8 8 ASP HB2 H 1 2.58 0.01 . 2 . . . . 7 ASP HB2 . 15515 1
36 . 1 1 8 8 ASP HB3 H 1 2.66 0.01 . 2 . . . . 7 ASP HB3 . 15515 1
37 . 1 1 9 9 DAL H H 1 8.26 0.01 . 1 . . . . 8 DAL H . 15515 1
38 . 1 1 9 9 DAL HA H 1 4.30 0.01 . 1 . . . . 8 DAL HA . 15515 1
39 . 1 1 9 9 DAL HB H 1 1.39 0.01 . 1 . . . . 8 DAL HB . 15515 1
40 . 1 1 10 10 ASP H H 1 7.85 0.01 . 1 . . . . 9 ASP H . 15515 1
41 . 1 1 10 10 ASP HA H 1 4.58 0.03 . 9 . . . . 9 ASP HA . 15515 1
42 . 1 1 10 10 ASP HB2 H 1 2.77 0.01 . 2 . . . . 9 ASP HB2 . 15515 1
43 . 1 1 10 10 ASP HB3 H 1 2.66 0.01 . 2 . . . . 9 ASP HB3 . 15515 1
44 . 1 1 11 11 GLY H H 1 8.23 0.01 . 1 . . . . 10 GLY H . 15515 1
45 . 1 1 11 11 GLY HA2 H 1 4.05 0.01 . 2 . . . . 10 GLY HA2 . 15515 1
46 . 1 1 11 11 GLY HA3 H 1 3.94 0.01 . 2 . . . . 10 GLY HA3 . 15515 1
47 . 1 1 12 12 DSN H H 1 8.38 0.01 . 1 . . . . 11 DSN H . 15515 1
48 . 1 1 12 12 DSN HA H 1 4.74 0.01 . 1 . . . . 11 DSN HA . 15515 1
49 . 1 1 12 12 DSN HB2 H 1 3.88 0.01 . 2 . . . . 11 DSN HB2 . 15515 1
50 . 1 1 13 13 MEG H H 1 8.03 0.01 . 1 . . . . 12 MEG H . 15515 1
51 . 1 1 13 13 MEG HA H 1 4.50 0.01 . 1 . . . . 12 MEG HA . 15515 1
52 . 1 1 13 13 MEG HB2 H 1 2.44 0.01 . 2 . . . . 12 MEG HB2 . 15515 1
53 . 1 1 13 13 MEG HG11 H 1 2.34 0.01 . 1 . . . . 12 MEG HG11 . 15515 1
54 . 1 1 13 13 MEG HG12 H 1 2.34 0.01 . 1 . . . . 12 MEG HG11 . 15515 1
55 . 1 1 13 13 MEG HG13 H 1 2.34 0.01 . 1 . . . . 12 MEG HG11 . 15515 1
56 . 1 1 13 13 MEG HG2 H 1 0.88 0.01 . 1 . . . . 12 MEG HG2 . 15515 1
57 . 1 1 14 14 KYN H H 1 8.44 0.02 . 1 . . . . 13 KYN H . 15515 1
58 . 1 1 14 14 KYN HA H 1 4.87 0.01 . 1 . . . . 13 KYN HA . 15515 1
59 . 1 1 14 14 KYN HB2 H 1 3.45 0.01 . 2 . . . . 13 KYN HB2 . 15515 1
60 . 1 1 14 14 KYN HB3 H 1 3.36 0.01 . 2 . . . . 13 KYN HB3 . 15515 1
61 . 1 1 14 14 KYN HE1 H 1 7.62 0.01 . 4 . . . . 13 KYN HE1 . 15515 1
62 . 1 1 14 14 KYN HE3 H 1 6.56 0.01 . 4 . . . . 13 KYN HE3 . 15515 1
stop_
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 8 15515 1
1 9 15515 1
2 61 15515 1
2 62 15515 1
stop_
save_