###################################
# 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
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts
_Assigned_chem_shift_list.Entry_ID bmse000978
_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 $chem_shift_reference
_Assigned_chem_shift_list.Details 'The chemical shift assignments have been taken from BMRB entry bmse000098'
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_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.Ambiguity_code
_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 C1 C 13 64.02 1 C10 ? bmse000978 1
2 1 1 1 C10 C 13 91.113 1 C11 ? bmse000978 1
3 1 1 1 C4 C 13 88.27 1 C12 ? bmse000978 1
4 1 1 1 C7 C 13 76.776 1 C13 ? bmse000978 1
5 1 1 1 C6 C 13 73.081 1 C14 ? bmse000978 1
6 1 1 1 C8 C 13 151.077 1 C15 TH bmse000978 1
7 1 1 1 C9 C 13 161.346 1 C16 ? bmse000978 1
8 1 1 1 C5 C 13 126.857 1 C17 TH bmse000978 1
9 1 1 1 C2 C 13 148.918 4 C18 ? bmse000978 1
10 1 1 1 C2 C 13 142.882 4 C18 ? bmse000978 1
11 1 1 1 C3 C 13 148.918 4 C19 ? bmse000978 1
12 1 1 1 C3 C 13 142.882 4 C19 ? bmse000978 1
13 1 1 1 H20 H 1 3.882 1 H24 ? bmse000978 1
14 1 1 1 H21 H 1 3.882 1 H25 ? bmse000978 1
15 1 1 1 H27 H 1 6.066 1 H26 ? bmse000978 1
16 1 1 1 H24 H 1 4.278 1 H27 ? bmse000978 1
17 1 1 1 H26 H 1 4.752 1 H28 ? bmse000978 1
18 1 1 1 H25 H 1 4.439 1 H29 ? bmse000978 1
19 1 1 1 H22 H 1 8.310 4 H30 ? bmse000978 1
20 1 1 1 H22 H 1 8.189 4 H30 ? bmse000978 1
21 1 1 1 H23 H 1 8.310 4 H31 ? bmse000978 1
22 1 1 1 H23 H 1 8.189 4 H31 ? bmse000978 1
stop_
save_