###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6186
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 6186 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 DT H1' H 1 5.90 0.01 . 1 . . . . 1 . . . 6186 1
2 . 1 1 1 1 DT H2' H 1 1.76 0.01 . 1 . . . . 1 . . . 6186 1
3 . 1 1 1 1 DT H2'' H 1 2.25 0.01 . 1 . . . . 1 . . . 6186 1
4 . 1 1 1 1 DT H3' H 1 4.65 0.01 . 1 . . . . 1 . . . 6186 1
5 . 1 1 1 1 DT H4' H 1 4.07 0.01 . 1 . . . . 1 . . . 6186 1
6 . 1 1 1 1 DT H5' H 1 4.35 0.01 . 1 . . . . 1 . . . 6186 1
7 . 1 1 1 1 DT H5'' H 1 3.61 0.01 . 1 . . . . 1 . . . 6186 1
8 . 1 1 2 2 DG H1' H 1 5.57 0.01 . 1 . . . . 2 . . . 6186 1
9 . 1 1 2 2 DG H2' H 1 2.79 0.01 . 1 . . . . 2 . . . 6186 1
10 . 1 1 2 2 DG H2'' H 1 2.84 0.01 . 1 . . . . 2 . . . 6186 1
11 . 1 1 2 2 DG H3' H 1 5.06 0.01 . 1 . . . . 2 . . . 6186 1
12 . 1 1 2 2 DG H4' H 1 4.35 0.01 . 1 . . . . 2 . . . 6186 1
13 . 1 1 2 2 DG H5' H 1 4.07 0.01 . 1 . . . . 2 . . . 6186 1
14 . 1 1 2 2 DG H5'' H 1 3.98 0.01 . 1 . . . . 2 . . . 6186 1
15 . 1 1 3 3 DA H8 H 1 8.02 0.01 . 1 . . . . 3 . . . 6186 1
16 . 1 1 3 3 DA H1' H 1 6.34 0.01 . 1 . . . . 3 . . . 6186 1
17 . 1 1 3 3 DA H2' H 1 2.76 0.01 . 1 . . . . 3 . . . 6186 1
18 . 1 1 3 3 DA H2'' H 1 2.96 0.01 . 1 . . . . 3 . . . 6186 1
19 . 1 1 3 3 DA H3' H 1 5.06 0.01 . 1 . . . . 3 . . . 6186 1
20 . 1 1 3 3 DA H4' H 1 4.52 0.01 . 1 . . . . 3 . . . 6186 1
21 . 1 1 3 3 DA H5' H 1 4.31 0.01 . 1 . . . . 3 . . . 6186 1
22 . 1 1 3 3 DA H5'' H 1 4.22 0.01 . 1 . . . . 3 . . . 6186 1
23 . 1 1 4 4 DT H6 H 1 8.33 0.01 . 1 . . . . 4 . . . 6186 1
24 . 1 1 4 4 DT H1' H 1 6.04 0.01 . 1 . . . . 4 . . . 6186 1
25 . 1 1 4 4 DT H2' H 1 2.02 0.01 . 1 . . . . 4 . . . 6186 1
26 . 1 1 4 4 DT H2'' H 1 2.39 0.01 . 1 . . . . 4 . . . 6186 1
27 . 1 1 4 4 DT H3' H 1 4.86 0.01 . 1 . . . . 4 . . . 6186 1
28 . 1 1 4 4 DT H4' H 1 4.20 0.01 . 1 . . . . 4 . . . 6186 1
29 . 1 1 4 4 DT H5' H 1 4.19 0.01 . 1 . . . . 4 . . . 6186 1
30 . 1 1 4 4 DT H5'' H 1 4.18 0.01 . 1 . . . . 4 . . . 6186 1
31 . 1 1 5 5 DC H5 H 1 5.80 0.01 . 1 . . . . 5 . . . 6186 1
32 . 1 1 5 5 DC H6 H 1 7.52 0.01 . 1 . . . . 5 . . . 6186 1
33 . 1 1 5 5 DC H1' H 1 5.90 0.01 . 1 . . . . 5 . . . 6186 1
34 . 1 1 5 5 DC H2' H 1 1.99 0.01 . 1 . . . . 5 . . . 6186 1
35 . 1 1 5 5 DC H2'' H 1 2.30 0.01 . 1 . . . . 5 . . . 6186 1
36 . 1 1 5 5 DC H3' H 1 4.80 0.01 . 1 . . . . 5 . . . 6186 1
37 . 1 1 5 5 DC H4' H 1 4.02 0.01 . 1 . . . . 5 . . . 6186 1
38 . 1 1 5 5 DC H5' H 1 3.97 0.01 . 1 . . . . 5 . . . 6186 1
39 . 1 1 5 5 DC H5'' H 1 3.95 0.01 . 1 . . . . 5 . . . 6186 1
40 . 1 1 6 6 DA H8 H 1 8.28 0.01 . 1 . . . . 6 . . . 6186 1
41 . 1 1 6 6 DA H1' H 1 6.34 0.01 . 1 . . . . 6 . . . 6186 1
42 . 1 1 6 6 DA H2' H 1 2.76 0.01 . 1 . . . . 6 . . . 6186 1
43 . 1 1 6 6 DA H2'' H 1 2.53 0.01 . 1 . . . . 6 . . . 6186 1
44 . 1 1 6 6 DA H3' H 1 4.74 0.01 . 1 . . . . 6 . . . 6186 1
45 . 1 1 6 6 DA H4' H 1 4.23 0.01 . 1 . . . . 6 . . . 6186 1
46 . 1 1 6 6 DA H5' H 1 4.10 0.01 . 1 . . . . 6 . . . 6186 1
47 . 1 1 6 6 DA H5'' H 1 4.06 0.01 . 1 . . . . 6 . . . 6186 1
stop_
save_