###################################
# 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 bmse000951
_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 bmse000116'
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.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 1 1 1 C4 C 13 41.482 4 C2 bmse000951 1
2 1 1 1 C4 C 13 39.292 4 C2 bmse000951 1
3 1 1 1 C1 C 13 26.624 4 C3 bmse000951 1
4 1 1 1 C1 C 13 26.581 4 C3 bmse000951 1
5 1 1 1 C1 C 13 25.495 4 C3 bmse000951 1
6 1 1 1 C2 C 13 26.624 4 C4 bmse000951 1
7 1 1 1 C2 C 13 26.581 4 C4 bmse000951 1
8 1 1 1 C2 C 13 25.495 4 C4 bmse000951 1
9 1 1 1 C6 C 13 49.722 4 C5 bmse000951 1
10 1 1 1 C6 C 13 47.228 4 C5 bmse000951 1
11 1 1 1 C7 C 13 49.722 4 C7 bmse000951 1
12 1 1 1 C7 C 13 47.228 4 C7 bmse000951 1
13 1 1 1 C3 C 13 26.624 4 C8 bmse000951 1
14 1 1 1 C3 C 13 26.581 4 C8 bmse000951 1
15 1 1 1 C3 C 13 25.495 4 C8 bmse000951 1
16 1 1 1 C5 C 13 41.482 4 C9 bmse000951 1
17 1 1 1 C5 C 13 39.292 4 C9 bmse000951 1
18 1 1 1 H17 H 1 3.104 4 H13 bmse000951 1
19 1 1 1 H17 H 1 3.044 4 H13 bmse000951 1
20 1 1 1 H18 H 1 3.104 4 H14 bmse000951 1
21 1 1 1 H18 H 1 3.044 4 H14 bmse000951 1
22 1 1 1 H11 H 1 2.100 4 H15 bmse000951 1
23 1 1 1 H11 H 1 1.777 4 H15 bmse000951 1
24 1 1 1 H12 H 1 2.100 4 H16 bmse000951 1
25 1 1 1 H12 H 1 1.777 4 H16 bmse000951 1
26 1 1 1 H13 H 1 2.100 4 H17 bmse000951 1
27 1 1 1 H13 H 1 1.777 4 H17 bmse000951 1
28 1 1 1 H14 H 1 2.100 4 H18 bmse000951 1
29 1 1 1 H14 H 1 1.777 4 H18 bmse000951 1
30 1 1 1 H21 H 1 3.104 4 H19 bmse000951 1
31 1 1 1 H21 H 1 3.149 4 H19 bmse000951 1
32 1 1 1 H22 H 1 3.104 4 H20 bmse000951 1
33 1 1 1 H22 H 1 3.149 4 H20 bmse000951 1
34 1 1 1 H23 H 1 3.104 4 H22 bmse000951 1
35 1 1 1 H23 H 1 3.149 4 H22 bmse000951 1
36 1 1 1 H24 H 1 3.104 4 H23 bmse000951 1
37 1 1 1 H24 H 1 3.149 4 H23 bmse000951 1
38 1 1 1 H15 H 1 2.100 4 H24 bmse000951 1
39 1 1 1 H15 H 1 1.777 4 H24 bmse000951 1
40 1 1 1 H16 H 1 2.100 4 H25 bmse000951 1
41 1 1 1 H16 H 1 1.777 4 H25 bmse000951 1
42 1 1 1 H19 H 1 3.104 4 H26 bmse000951 1
43 1 1 1 H19 H 1 3.044 4 H26 bmse000951 1
44 1 1 1 H20 H 1 3.104 4 H27 bmse000951 1
45 1 1 1 H20 H 1 3.044 4 H27 bmse000951 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 1 bmse000951 1
1 16 bmse000951 1
2 2 bmse000951 1
2 17 bmse000951 1
3 3 bmse000951 1
3 6 bmse000951 1
3 13 bmse000951 1
4 4 bmse000951 1
4 7 bmse000951 1
4 14 bmse000951 1
5 5 bmse000951 1
5 8 bmse000951 1
5 15 bmse000951 1
6 9 bmse000951 1
6 11 bmse000951 1
7 10 bmse000951 1
7 12 bmse000951 1
8 18 bmse000951 1
8 20 bmse000951 1
8 30 bmse000951 1
8 32 bmse000951 1
8 34 bmse000951 1
8 36 bmse000951 1
8 42 bmse000951 1
8 44 bmse000951 1
9 19 bmse000951 1
9 21 bmse000951 1
9 43 bmse000951 1
9 45 bmse000951 1
10 22 bmse000951 1
10 24 bmse000951 1
10 26 bmse000951 1
10 28 bmse000951 1
10 38 bmse000951 1
10 40 bmse000951 1
11 23 bmse000951 1
11 25 bmse000951 1
11 27 bmse000951 1
11 29 bmse000951 1
11 39 bmse000951 1
11 41 bmse000951 1
12 31 bmse000951 1
12 33 bmse000951 1
12 35 bmse000951 1
12 37 bmse000951 1
stop_
save_