###################################
# 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 bmse000876
_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 bmse000125'
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 C11 C 13 95.960 1 C1 bmse000876 1
2 1 1 1 C11 C 13 95.900 1 C1 bmse000876 1
3 1 1 1 C9 C 13 75.215 4 C2 bmse000876 1
4 1 1 1 C9 C 13 74.875 4 C2 bmse000876 1
5 1 1 1 C9 C 13 73.765 4 C2 bmse000876 1
6 1 1 1 C9 C 13 72.400 4 C2 bmse000876 1
7 1 1 1 C7 C 13 75.215 4 C3 bmse000876 1
8 1 1 1 C7 C 13 74.875 4 C3 bmse000876 1
9 1 1 1 C7 C 13 73.765 4 C3 bmse000876 1
10 1 1 1 C7 C 13 72.400 4 C3 bmse000876 1
11 1 1 1 C5 C 13 75.215 4 C4 bmse000876 1
12 1 1 1 C5 C 13 74.875 4 C4 bmse000876 1
13 1 1 1 C5 C 13 73.765 4 C4 bmse000876 1
14 1 1 1 C5 C 13 72.400 4 C4 bmse000876 1
15 1 1 1 C3 C 13 75.215 4 C5 bmse000876 1
16 1 1 1 C3 C 13 74.875 4 C5 bmse000876 1
17 1 1 1 C3 C 13 73.765 4 C5 bmse000876 1
18 1 1 1 C3 C 13 72.400 4 C5 bmse000876 1
19 1 1 1 C1 C 13 63.225 1 C6 bmse000876 1
20 1 1 1 C12 C 13 95.960 1 C13 bmse000876 1
21 1 1 1 C12 C 13 95.900 1 C13 bmse000876 1
22 1 1 1 C10 C 13 75.215 4 C14 bmse000876 1
23 1 1 1 C10 C 13 74.875 4 C14 bmse000876 1
24 1 1 1 C10 C 13 73.765 4 C14 bmse000876 1
25 1 1 1 C10 C 13 72.400 4 C14 bmse000876 1
26 1 1 1 C8 C 13 75.215 4 C15 bmse000876 1
27 1 1 1 C8 C 13 74.875 4 C15 bmse000876 1
28 1 1 1 C8 C 13 73.765 4 C15 bmse000876 1
29 1 1 1 C8 C 13 72.400 4 C15 bmse000876 1
30 1 1 1 C6 C 13 75.215 4 C16 bmse000876 1
31 1 1 1 C6 C 13 74.875 4 C16 bmse000876 1
32 1 1 1 C6 C 13 73.765 4 C16 bmse000876 1
33 1 1 1 C6 C 13 72.400 4 C16 bmse000876 1
34 1 1 1 C4 C 13 75.215 4 C17 bmse000876 1
35 1 1 1 C4 C 13 74.875 4 C17 bmse000876 1
36 1 1 1 C4 C 13 73.765 4 C17 bmse000876 1
37 1 1 1 C4 C 13 72.400 4 C17 bmse000876 1
38 1 1 1 C2 C 13 63.225 1 C18 bmse000876 1
39 1 1 1 H36 H 1 5.187 1 H24 bmse000876 1
40 1 1 1 H34 H 1 3.864 4 H25 bmse000876 1
41 1 1 1 H34 H 1 3.824 4 H25 bmse000876 1
42 1 1 1 H34 H 1 3.753 4 H25 bmse000876 1
43 1 1 1 H34 H 1 3.639 4 H25 bmse000876 1
44 1 1 1 H34 H 1 3.440 4 H25 bmse000876 1
45 1 1 1 H32 H 1 3.864 4 H26 bmse000876 1
46 1 1 1 H32 H 1 3.824 4 H26 bmse000876 1
47 1 1 1 H32 H 1 3.753 4 H26 bmse000876 1
48 1 1 1 H32 H 1 3.639 4 H26 bmse000876 1
49 1 1 1 H32 H 1 3.440 4 H26 bmse000876 1
50 1 1 1 H30 H 1 3.864 4 H27 bmse000876 1
51 1 1 1 H30 H 1 3.824 4 H27 bmse000876 1
52 1 1 1 H30 H 1 3.753 4 H27 bmse000876 1
53 1 1 1 H30 H 1 3.639 4 H27 bmse000876 1
54 1 1 1 H30 H 1 3.440 4 H27 bmse000876 1
55 1 1 1 H28 H 1 3.864 4 H28 bmse000876 1
56 1 1 1 H28 H 1 3.824 4 H28 bmse000876 1
57 1 1 1 H28 H 1 3.753 4 H28 bmse000876 1
58 1 1 1 H28 H 1 3.639 4 H28 bmse000876 1
59 1 1 1 H28 H 1 3.440 4 H28 bmse000876 1
60 1 1 1 H24 H 1 3.753 4 H29 bmse000876 1
61 1 1 1 H25 H 1 3.753 4 H30 bmse000876 1
62 1 1 1 H37 H 1 5.187 1 H35 bmse000876 1
63 1 1 1 H35 H 1 3.864 4 H36 bmse000876 1
64 1 1 1 H35 H 1 3.824 4 H36 bmse000876 1
65 1 1 1 H35 H 1 3.753 4 H36 bmse000876 1
66 1 1 1 H35 H 1 3.639 4 H36 bmse000876 1
67 1 1 1 H35 H 1 3.440 4 H36 bmse000876 1
68 1 1 1 H33 H 1 3.864 4 H37 bmse000876 1
69 1 1 1 H33 H 1 3.824 4 H37 bmse000876 1
70 1 1 1 H33 H 1 3.753 4 H37 bmse000876 1
71 1 1 1 H33 H 1 3.639 4 H37 bmse000876 1
72 1 1 1 H33 H 1 3.440 4 H37 bmse000876 1
73 1 1 1 H31 H 1 3.864 4 H38 bmse000876 1
74 1 1 1 H31 H 1 3.824 4 H38 bmse000876 1
75 1 1 1 H31 H 1 3.753 4 H38 bmse000876 1
76 1 1 1 H31 H 1 3.639 4 H38 bmse000876 1
77 1 1 1 H31 H 1 3.440 4 H38 bmse000876 1
78 1 1 1 H29 H 1 3.864 4 H39 bmse000876 1
79 1 1 1 H29 H 1 3.824 4 H39 bmse000876 1
80 1 1 1 H29 H 1 3.753 4 H39 bmse000876 1
81 1 1 1 H29 H 1 3.639 4 H39 bmse000876 1
82 1 1 1 H29 H 1 3.440 4 H39 bmse000876 1
83 1 1 1 H26 H 1 3.753 4 H40 bmse000876 1
84 1 1 1 H27 H 1 3.753 4 H41 bmse000876 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 3 bmse000876 1
1 7 bmse000876 1
1 11 bmse000876 1
1 15 bmse000876 1
1 22 bmse000876 1
1 26 bmse000876 1
1 30 bmse000876 1
1 34 bmse000876 1
2 4 bmse000876 1
2 8 bmse000876 1
2 12 bmse000876 1
2 16 bmse000876 1
2 23 bmse000876 1
2 27 bmse000876 1
2 31 bmse000876 1
2 35 bmse000876 1
3 5 bmse000876 1
3 9 bmse000876 1
3 13 bmse000876 1
3 17 bmse000876 1
3 24 bmse000876 1
3 28 bmse000876 1
3 32 bmse000876 1
3 36 bmse000876 1
4 6 bmse000876 1
4 10 bmse000876 1
4 14 bmse000876 1
4 18 bmse000876 1
4 25 bmse000876 1
4 29 bmse000876 1
4 33 bmse000876 1
4 37 bmse000876 1
5 40 bmse000876 1
5 45 bmse000876 1
5 50 bmse000876 1
5 55 bmse000876 1
5 63 bmse000876 1
5 68 bmse000876 1
5 73 bmse000876 1
5 78 bmse000876 1
6 41 bmse000876 1
6 46 bmse000876 1
6 51 bmse000876 1
6 56 bmse000876 1
6 64 bmse000876 1
6 69 bmse000876 1
6 74 bmse000876 1
6 79 bmse000876 1
7 42 bmse000876 1
7 47 bmse000876 1
7 52 bmse000876 1
7 57 bmse000876 1
7 60 bmse000876 1
7 61 bmse000876 1
7 65 bmse000876 1
7 70 bmse000876 1
7 75 bmse000876 1
7 80 bmse000876 1
7 83 bmse000876 1
7 84 bmse000876 1
8 43 bmse000876 1
8 48 bmse000876 1
8 53 bmse000876 1
8 58 bmse000876 1
8 66 bmse000876 1
8 71 bmse000876 1
8 76 bmse000876 1
8 81 bmse000876 1
9 44 bmse000876 1
9 49 bmse000876 1
9 54 bmse000876 1
9 59 bmse000876 1
9 67 bmse000876 1
9 72 bmse000876 1
9 77 bmse000876 1
9 82 bmse000876 1
stop_
save_