###################################
# 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 bmse000855
_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 bmse000015'
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 C6 C 13 98.643 1 C1 bmse000855 1
2 1 1 1 C6 C 13 94.826 1 C1 bmse000855 1
3 1 1 1 C5 C 13 78.690 4 C2 bmse000855 1
4 1 1 1 C5 C 13 78.474 4 C2 bmse000855 1
5 1 1 1 C5 C 13 76.854 4 C2 bmse000855 1
6 1 1 1 C5 C 13 75.480 4 C2 bmse000855 1
7 1 1 1 C5 C 13 74.202 4 C2 bmse000855 1
8 1 1 1 C5 C 13 74.166 4 C2 bmse000855 1
9 1 1 1 C5 C 13 72.352 4 C2 bmse000855 1
10 1 1 1 C5 C 13 72.309 4 C2 bmse000855 1
11 1 1 1 C4 C 13 78.690 4 C3 bmse000855 1
12 1 1 1 C4 C 13 78.474 4 C3 bmse000855 1
13 1 1 1 C4 C 13 76.854 4 C3 bmse000855 1
14 1 1 1 C4 C 13 75.480 4 C3 bmse000855 1
15 1 1 1 C4 C 13 74.202 4 C3 bmse000855 1
16 1 1 1 C4 C 13 74.166 4 C3 bmse000855 1
17 1 1 1 C4 C 13 72.352 4 C3 bmse000855 1
18 1 1 1 C4 C 13 72.309 4 C3 bmse000855 1
19 1 1 1 C3 C 13 78.690 4 C4 bmse000855 1
20 1 1 1 C3 C 13 78.474 4 C4 bmse000855 1
21 1 1 1 C3 C 13 76.854 4 C4 bmse000855 1
22 1 1 1 C3 C 13 75.480 4 C4 bmse000855 1
23 1 1 1 C3 C 13 74.202 4 C4 bmse000855 1
24 1 1 1 C3 C 13 74.166 4 C4 bmse000855 1
25 1 1 1 C3 C 13 72.352 4 C4 bmse000855 1
26 1 1 1 C3 C 13 72.309 4 C4 bmse000855 1
27 1 1 1 C2 C 13 78.690 4 C5 bmse000855 1
28 1 1 1 C2 C 13 78.474 4 C5 bmse000855 1
29 1 1 1 C2 C 13 76.854 4 C5 bmse000855 1
30 1 1 1 C2 C 13 75.480 4 C5 bmse000855 1
31 1 1 1 C2 C 13 74.202 4 C5 bmse000855 1
32 1 1 1 C2 C 13 74.166 4 C5 bmse000855 1
33 1 1 1 C2 C 13 72.352 4 C5 bmse000855 1
34 1 1 1 C2 C 13 72.309 4 C5 bmse000855 1
35 1 1 1 C1 C 13 63.454 1 C6 bmse000855 1
36 1 1 1 C1 C 13 63.284 1 C6 bmse000855 1
37 1 1 1 H19 H 1 5.222 1 H13 bmse000855 1
38 1 1 1 H19 H 1 4.636 1 H13 bmse000855 1
39 1 1 1 H18 H 1 3.887 4 H14 bmse000855 1
40 1 1 1 H18 H 1 3.828 4 H14 bmse000855 1
41 1 1 1 H18 H 1 3.726 4 H14 bmse000855 1
42 1 1 1 H18 H 1 3.517 4 H14 bmse000855 1
43 1 1 1 H18 H 1 3.459 4 H14 bmse000855 1
44 1 1 1 H18 H 1 3.401 4 H14 bmse000855 1
45 1 1 1 H18 H 1 3.232 4 H14 bmse000855 1
46 1 1 1 H17 H 1 3.887 4 H15 bmse000855 1
47 1 1 1 H17 H 1 3.828 4 H15 bmse000855 1
48 1 1 1 H17 H 1 3.726 4 H15 bmse000855 1
49 1 1 1 H17 H 1 3.517 4 H15 bmse000855 1
50 1 1 1 H17 H 1 3.459 4 H15 bmse000855 1
51 1 1 1 H17 H 1 3.401 4 H15 bmse000855 1
52 1 1 1 H17 H 1 3.232 4 H15 bmse000855 1
53 1 1 1 H16 H 1 3.887 4 H16 bmse000855 1
54 1 1 1 H16 H 1 3.828 4 H16 bmse000855 1
55 1 1 1 H16 H 1 3.726 4 H16 bmse000855 1
56 1 1 1 H16 H 1 3.517 4 H16 bmse000855 1
57 1 1 1 H16 H 1 3.459 4 H16 bmse000855 1
58 1 1 1 H16 H 1 3.401 4 H16 bmse000855 1
59 1 1 1 H16 H 1 3.232 4 H16 bmse000855 1
60 1 1 1 H15 H 1 3.887 4 H17 bmse000855 1
61 1 1 1 H15 H 1 3.828 4 H17 bmse000855 1
62 1 1 1 H15 H 1 3.726 4 H17 bmse000855 1
63 1 1 1 H15 H 1 3.517 4 H17 bmse000855 1
64 1 1 1 H15 H 1 3.459 4 H17 bmse000855 1
65 1 1 1 H15 H 1 3.401 4 H17 bmse000855 1
66 1 1 1 H15 H 1 3.232 4 H17 bmse000855 1
67 1 1 1 H13 H 1 3.887 4 H18 bmse000855 1
68 1 1 1 H13 H 1 3.828 4 H18 bmse000855 1
69 1 1 1 H13 H 1 3.726 4 H18 bmse000855 1
70 1 1 1 H13 H 1 3.517 4 H18 bmse000855 1
71 1 1 1 H13 H 1 3.459 4 H18 bmse000855 1
72 1 1 1 H13 H 1 3.401 4 H18 bmse000855 1
73 1 1 1 H13 H 1 3.232 4 H18 bmse000855 1
74 1 1 1 H14 H 1 3.887 4 H19 bmse000855 1
75 1 1 1 H14 H 1 3.828 4 H19 bmse000855 1
76 1 1 1 H14 H 1 3.726 4 H19 bmse000855 1
77 1 1 1 H14 H 1 3.517 4 H19 bmse000855 1
78 1 1 1 H14 H 1 3.459 4 H19 bmse000855 1
79 1 1 1 H14 H 1 3.401 4 H19 bmse000855 1
80 1 1 1 H14 H 1 3.232 4 H19 bmse000855 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 bmse000855 1
1 11 bmse000855 1
1 19 bmse000855 1
1 27 bmse000855 1
2 4 bmse000855 1
2 12 bmse000855 1
2 20 bmse000855 1
2 28 bmse000855 1
3 5 bmse000855 1
3 13 bmse000855 1
3 21 bmse000855 1
3 29 bmse000855 1
4 6 bmse000855 1
4 14 bmse000855 1
4 22 bmse000855 1
4 30 bmse000855 1
5 7 bmse000855 1
5 15 bmse000855 1
5 23 bmse000855 1
5 31 bmse000855 1
6 8 bmse000855 1
6 16 bmse000855 1
6 24 bmse000855 1
6 32 bmse000855 1
7 9 bmse000855 1
7 17 bmse000855 1
7 25 bmse000855 1
7 33 bmse000855 1
8 10 bmse000855 1
8 18 bmse000855 1
8 26 bmse000855 1
8 34 bmse000855 1
9 39 bmse000855 1
9 46 bmse000855 1
9 53 bmse000855 1
9 60 bmse000855 1
9 67 bmse000855 1
9 74 bmse000855 1
10 40 bmse000855 1
10 47 bmse000855 1
10 54 bmse000855 1
10 61 bmse000855 1
10 68 bmse000855 1
10 75 bmse000855 1
11 41 bmse000855 1
11 48 bmse000855 1
11 55 bmse000855 1
11 62 bmse000855 1
11 69 bmse000855 1
11 76 bmse000855 1
12 42 bmse000855 1
12 49 bmse000855 1
12 56 bmse000855 1
12 63 bmse000855 1
12 70 bmse000855 1
12 77 bmse000855 1
13 43 bmse000855 1
13 50 bmse000855 1
13 57 bmse000855 1
13 64 bmse000855 1
13 71 bmse000855 1
13 78 bmse000855 1
14 44 bmse000855 1
14 51 bmse000855 1
14 58 bmse000855 1
14 65 bmse000855 1
14 72 bmse000855 1
14 79 bmse000855 1
15 45 bmse000855 1
15 52 bmse000855 1
15 59 bmse000855 1
15 66 bmse000855 1
15 73 bmse000855 1
15 80 bmse000855 1
stop_
save_