###################################
# 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_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50318
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'ABD1 Ha chemical shifts'
_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 $chem_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' . . . 50318 1
2 '2D 1H-1H NOESY' . . . 50318 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 $software_1 . . 50318 1
stop_
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 1 1 THR HA H 1 4.17 0.00 . 1 . . . . . 1 THR HA . 50318 1
2 . 1 . 1 2 2 ILE HA H 1 4.19 0.00 . 1 . . . . . 2 ILE HA . 50318 1
3 . 1 . 1 3 3 ASP HA H 1 4.46 0.00 . 1 . . . . . 3 ASP HA . 50318 1
4 . 1 . 1 4 4 GLN HA H 1 4.05 0.00 . 1 . . . . . 4 GLN HA . 50318 1
5 . 1 . 1 5 5 TRP HA H 1 4.57 0.00 . 1 . . . . . 5 TRP HA . 50318 1
6 . 1 . 1 6 6 LEU HA H 1 4.16 0.00 . 1 . . . . . 6 LEU HA . 50318 1
7 . 1 . 1 7 7 LEU HA H 1 4.23 0.00 . 1 . . . . . 7 LEU HA . 50318 1
8 . 1 . 1 8 8 LYS HA H 1 4.22 0.00 . 1 . . . . . 8 LYS HA . 50318 1
9 . 1 . 1 9 9 ASN HA H 1 4.63 0.00 . 1 . . . . . 9 ASN HA . 50318 1
10 . 1 . 1 10 10 ALA HA H 1 4.25 0.00 . 1 . . . . . 10 ALA HA . 50318 1
11 . 1 . 1 11 11 LYS HA H 1 4.25 0.00 . 1 . . . . . 11 LYS HA . 50318 1
12 . 1 . 1 12 12 GLU HA H 1 4.20 0.00 . 1 . . . . . 12 GLU HA . 50318 1
13 . 1 . 1 13 13 ASP HA H 1 4.54 0.00 . 1 . . . . . 13 ASP HA . 50318 1
14 . 1 . 1 14 14 ALA HA H 1 4.27 0.00 . 1 . . . . . 14 ALA HA . 50318 1
15 . 1 . 1 15 15 ILE HA H 1 4.02 0.00 . 1 . . . . . 15 ILE HA . 50318 1
16 . 1 . 1 16 16 ALA HA H 1 4.21 0.00 . 1 . . . . . 16 ALA HA . 50318 1
17 . 1 . 1 17 17 GLU HA H 1 4.17 0.00 . 1 . . . . . 17 GLU HA . 50318 1
18 . 1 . 1 18 18 LEU HA H 1 4.26 0.00 . 1 . . . . . 18 LEU HA . 50318 1
19 . 1 . 1 19 19 LYS HA H 1 4.25 0.00 . 1 . . . . . 19 LYS HA . 50318 1
20 . 1 . 1 20 20 LYS HA H 1 4.25 0.00 . 1 . . . . . 20 LYS HA . 50318 1
21 . 1 . 1 21 21 ALA HA H 1 4.33 0.00 . 1 . . . . . 21 ALA HA . 50318 1
22 . 1 . 1 22 22 GLY HA2 H 1 3.93 0.00 . 2 . . . . . 22 GLY HA2 . 50318 1
23 . 1 . 1 22 22 GLY HA3 H 1 3.93 0.00 . 2 . . . . . 22 GLY HA3 . 50318 1
24 . 1 . 1 23 23 ILE HA H 1 4.10 0.00 . 1 . . . . . 23 ILE HA . 50318 1
stop_
save_