###################################
# 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 bmse000926
_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
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '1D 1H' 1 $sample_1 bmse000926 1
2 '2D [1H,1H]-TOCSY' 1 $sample_1 bmse000926 1
3 '1D 13C' 1 $sample_1 bmse000926 1
4 '1D DEPT90' 1 $sample_1 bmse000926 1
5 '1D DEPT135' 1 $sample_1 bmse000926 1
6 '2D [1H,13C]-HSQC' 1 $sample_1 bmse000926 1
7 '2D [1H,13C]-HMBC' 1 $sample_1 bmse000926 1
8 '2D [1H,1H]-COSY' 1 $sample_1 bmse000926 1
9 '2D [1H,13C]-HMQC' 1 $sample_1 bmse000926 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 bmse000926 1
stop_
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 31.790 4 C3 bmse000926 1
2 1 1 1 C11 C 13 29.738 4 C3 bmse000926 1
3 1 1 1 C11 C 13 29.675 4 C3 bmse000926 1
4 1 1 1 C11 C 13 29.147 4 C3 bmse000926 1
5 1 1 1 C11 C 13 29.067 4 C3 bmse000926 1
6 1 1 1 C11 C 13 29.030 4 C3 bmse000926 1
7 1 1 1 C11 C 13 29.000 4 C3 bmse000926 1
8 1 1 1 C11 C 13 27.223 4 C3 bmse000926 1
9 1 1 1 C11 C 13 27.152 4 C3 bmse000926 1
10 1 1 1 C11 C 13 22.672 4 C3 bmse000926 1
11 1 1 1 C12 C 13 31.790 4 C4 bmse000926 1
12 1 1 1 C12 C 13 29.738 4 C4 bmse000926 1
13 1 1 1 C12 C 13 29.675 4 C4 bmse000926 1
14 1 1 1 C12 C 13 29.147 4 C4 bmse000926 1
15 1 1 1 C12 C 13 29.067 4 C4 bmse000926 1
16 1 1 1 C12 C 13 29.030 4 C4 bmse000926 1
17 1 1 1 C12 C 13 29.000 4 C4 bmse000926 1
18 1 1 1 C12 C 13 27.223 4 C4 bmse000926 1
19 1 1 1 C12 C 13 27.152 4 C4 bmse000926 1
20 1 1 1 C12 C 13 22.672 4 C4 bmse000926 1
21 1 1 1 C10 C 13 31.790 4 C5 bmse000926 1
22 1 1 1 C10 C 13 29.738 4 C5 bmse000926 1
23 1 1 1 C10 C 13 29.675 4 C5 bmse000926 1
24 1 1 1 C10 C 13 29.147 4 C5 bmse000926 1
25 1 1 1 C10 C 13 29.067 4 C5 bmse000926 1
26 1 1 1 C10 C 13 29.030 4 C5 bmse000926 1
27 1 1 1 C10 C 13 29.000 4 C5 bmse000926 1
28 1 1 1 C10 C 13 27.223 4 C5 bmse000926 1
29 1 1 1 C10 C 13 27.152 4 C5 bmse000926 1
30 1 1 1 C10 C 13 22.672 4 C5 bmse000926 1
31 1 1 1 C13 C 13 31.790 4 C6 bmse000926 1
32 1 1 1 C13 C 13 29.738 4 C6 bmse000926 1
33 1 1 1 C13 C 13 29.675 4 C6 bmse000926 1
34 1 1 1 C13 C 13 29.147 4 C6 bmse000926 1
35 1 1 1 C13 C 13 29.067 4 C6 bmse000926 1
36 1 1 1 C13 C 13 29.030 4 C6 bmse000926 1
37 1 1 1 C13 C 13 29.000 4 C6 bmse000926 1
38 1 1 1 C13 C 13 27.223 4 C6 bmse000926 1
39 1 1 1 C13 C 13 27.152 4 C6 bmse000926 1
40 1 1 1 C13 C 13 22.672 4 C6 bmse000926 1
41 1 1 1 C9 C 13 31.790 4 C7 bmse000926 1
42 1 1 1 C9 C 13 29.738 4 C7 bmse000926 1
43 1 1 1 C9 C 13 29.675 4 C7 bmse000926 1
44 1 1 1 C9 C 13 29.147 4 C7 bmse000926 1
45 1 1 1 C9 C 13 29.067 4 C7 bmse000926 1
46 1 1 1 C9 C 13 29.030 4 C7 bmse000926 1
47 1 1 1 C9 C 13 29.000 4 C7 bmse000926 1
48 1 1 1 C9 C 13 27.223 4 C7 bmse000926 1
49 1 1 1 C9 C 13 27.152 4 C7 bmse000926 1
50 1 1 1 C9 C 13 22.672 4 C7 bmse000926 1
51 1 1 1 C14 C 13 24.65 1 C8 bmse000926 1
52 1 1 1 C4 C 13 31.790 4 C9 bmse000926 1
53 1 1 1 C4 C 13 29.738 4 C9 bmse000926 1
54 1 1 1 C4 C 13 29.675 4 C9 bmse000926 1
55 1 1 1 C4 C 13 29.147 4 C9 bmse000926 1
56 1 1 1 C4 C 13 29.067 4 C9 bmse000926 1
57 1 1 1 C4 C 13 29.030 4 C9 bmse000926 1
58 1 1 1 C4 C 13 29.000 4 C9 bmse000926 1
59 1 1 1 C4 C 13 27.223 4 C9 bmse000926 1
60 1 1 1 C4 C 13 27.152 4 C9 bmse000926 1
61 1 1 1 C4 C 13 22.672 4 C9 bmse000926 1
62 1 1 1 C5 C 13 31.790 4 C10 bmse000926 1
63 1 1 1 C5 C 13 29.738 4 C10 bmse000926 1
64 1 1 1 C5 C 13 29.675 4 C10 bmse000926 1
65 1 1 1 C5 C 13 29.147 4 C10 bmse000926 1
66 1 1 1 C5 C 13 29.067 4 C10 bmse000926 1
67 1 1 1 C5 C 13 29.030 4 C10 bmse000926 1
68 1 1 1 C5 C 13 29.000 4 C10 bmse000926 1
69 1 1 1 C5 C 13 27.223 4 C10 bmse000926 1
70 1 1 1 C5 C 13 27.152 4 C10 bmse000926 1
71 1 1 1 C5 C 13 22.672 4 C10 bmse000926 1
72 1 1 1 C3 C 13 31.790 4 C11 bmse000926 1
73 1 1 1 C3 C 13 29.738 4 C11 bmse000926 1
74 1 1 1 C3 C 13 29.675 4 C11 bmse000926 1
75 1 1 1 C3 C 13 29.147 4 C11 bmse000926 1
76 1 1 1 C3 C 13 29.067 4 C11 bmse000926 1
77 1 1 1 C3 C 13 29.030 4 C11 bmse000926 1
78 1 1 1 C3 C 13 29.000 4 C11 bmse000926 1
79 1 1 1 C3 C 13 27.223 4 C11 bmse000926 1
80 1 1 1 C3 C 13 27.152 4 C11 bmse000926 1
81 1 1 1 C3 C 13 22.672 4 C11 bmse000926 1
82 1 1 1 C6 C 13 31.790 4 C12 bmse000926 1
83 1 1 1 C6 C 13 29.738 4 C12 bmse000926 1
84 1 1 1 C6 C 13 29.675 4 C12 bmse000926 1
85 1 1 1 C6 C 13 29.147 4 C12 bmse000926 1
86 1 1 1 C6 C 13 29.067 4 C12 bmse000926 1
87 1 1 1 C6 C 13 29.030 4 C12 bmse000926 1
88 1 1 1 C6 C 13 29.000 4 C12 bmse000926 1
89 1 1 1 C6 C 13 27.223 4 C12 bmse000926 1
90 1 1 1 C6 C 13 27.152 4 C12 bmse000926 1
91 1 1 1 C6 C 13 22.672 4 C12 bmse000926 1
92 1 1 1 C8 C 13 130.022 4 C13 bmse000926 1
93 1 1 1 C8 C 13 129.730 4 C13 bmse000926 1
94 1 1 1 C2 C 13 31.790 4 C14 bmse000926 1
95 1 1 1 C2 C 13 29.738 4 C14 bmse000926 1
96 1 1 1 C2 C 13 29.675 4 C14 bmse000926 1
97 1 1 1 C2 C 13 29.147 4 C14 bmse000926 1
98 1 1 1 C2 C 13 29.067 4 C14 bmse000926 1
99 1 1 1 C2 C 13 29.030 4 C14 bmse000926 1
100 1 1 1 C2 C 13 29.000 4 C14 bmse000926 1
101 1 1 1 C2 C 13 27.223 4 C14 bmse000926 1
102 1 1 1 C2 C 13 27.152 4 C14 bmse000926 1
103 1 1 1 C2 C 13 22.672 4 C14 bmse000926 1
104 1 1 1 C15 C 13 34.05 1 C15 bmse000926 1
105 1 1 1 C7 C 13 130.022 4 C16 bmse000926 1
106 1 1 1 C7 C 13 129.730 4 C16 bmse000926 1
107 1 1 1 C1 C 13 14.13 1 C17 bmse000926 1
108 1 1 1 C16 C 13 180.21 1 C18 bmse000926 1
109 1 1 1 H38 H 1 2.012 4 H19 bmse000926 1
110 1 1 1 H38 H 1 1.310 4 H19 bmse000926 1
111 1 1 1 H39 H 1 2.012 4 H20 bmse000926 1
112 1 1 1 H39 H 1 1.310 4 H20 bmse000926 1
113 1 1 1 H40 H 1 2.012 4 H21 bmse000926 1
114 1 1 1 H40 H 1 1.310 4 H21 bmse000926 1
115 1 1 1 H41 H 1 2.012 4 H22 bmse000926 1
116 1 1 1 H41 H 1 1.310 4 H22 bmse000926 1
117 1 1 1 H36 H 1 2.012 4 H23 bmse000926 1
118 1 1 1 H36 H 1 1.310 4 H23 bmse000926 1
119 1 1 1 H37 H 1 2.012 4 H24 bmse000926 1
120 1 1 1 H37 H 1 1.310 4 H24 bmse000926 1
121 1 1 1 H42 H 1 2.012 4 H25 bmse000926 1
122 1 1 1 H42 H 1 1.310 4 H25 bmse000926 1
123 1 1 1 H43 H 1 2.012 4 H26 bmse000926 1
124 1 1 1 H43 H 1 1.310 4 H26 bmse000926 1
125 1 1 1 H34 H 1 2.012 4 H27 bmse000926 1
126 1 1 1 H34 H 1 1.310 4 H27 bmse000926 1
127 1 1 1 H35 H 1 2.012 4 H28 bmse000926 1
128 1 1 1 H35 H 1 1.310 4 H28 bmse000926 1
129 1 1 1 H44 H 1 1.634 1 H29 bmse000926 1
130 1 1 1 H45 H 1 1.634 1 H30 bmse000926 1
131 1 1 1 H26 H 1 2.012 4 H31 bmse000926 1
132 1 1 1 H26 H 1 1.310 4 H31 bmse000926 1
133 1 1 1 H27 H 1 2.012 4 H32 bmse000926 1
134 1 1 1 H27 H 1 1.310 4 H32 bmse000926 1
135 1 1 1 H28 H 1 2.012 4 H33 bmse000926 1
136 1 1 1 H28 H 1 1.310 4 H33 bmse000926 1
137 1 1 1 H29 H 1 2.012 4 H34 bmse000926 1
138 1 1 1 H29 H 1 1.310 4 H34 bmse000926 1
139 1 1 1 H24 H 1 2.012 4 H35 bmse000926 1
140 1 1 1 H24 H 1 1.310 4 H35 bmse000926 1
141 1 1 1 H25 H 1 2.012 4 H36 bmse000926 1
142 1 1 1 H25 H 1 1.310 4 H36 bmse000926 1
143 1 1 1 H30 H 1 2.012 4 H37 bmse000926 1
144 1 1 1 H30 H 1 1.310 4 H37 bmse000926 1
145 1 1 1 H31 H 1 2.012 4 H38 bmse000926 1
146 1 1 1 H31 H 1 1.310 4 H38 bmse000926 1
147 1 1 1 H33 H 1 5.347 4 H39 bmse000926 1
148 1 1 1 H22 H 1 2.012 4 H40 bmse000926 1
149 1 1 1 H22 H 1 1.310 4 H40 bmse000926 1
150 1 1 1 H23 H 1 2.012 4 H41 bmse000926 1
151 1 1 1 H23 H 1 1.310 4 H41 bmse000926 1
152 1 1 1 H46 H 1 2.350 1 H42 bmse000926 1
153 1 1 1 H47 H 1 2.350 1 H43 bmse000926 1
154 1 1 1 H32 H 1 5.347 4 H44 bmse000926 1
155 1 1 1 H20 H 1 0.884 1 H45 bmse000926 1
156 1 1 1 H21 H 1 0.884 1 H46 bmse000926 1
157 1 1 1 H19 H 1 0.884 1 H47 bmse000926 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 bmse000926 1
1 11 bmse000926 1
1 21 bmse000926 1
1 31 bmse000926 1
1 41 bmse000926 1
1 52 bmse000926 1
1 62 bmse000926 1
1 72 bmse000926 1
1 82 bmse000926 1
1 94 bmse000926 1
2 2 bmse000926 1
2 12 bmse000926 1
2 22 bmse000926 1
2 32 bmse000926 1
2 42 bmse000926 1
2 53 bmse000926 1
2 63 bmse000926 1
2 73 bmse000926 1
2 83 bmse000926 1
2 95 bmse000926 1
3 3 bmse000926 1
3 13 bmse000926 1
3 23 bmse000926 1
3 33 bmse000926 1
3 43 bmse000926 1
3 54 bmse000926 1
3 64 bmse000926 1
3 74 bmse000926 1
3 84 bmse000926 1
3 96 bmse000926 1
4 4 bmse000926 1
4 14 bmse000926 1
4 24 bmse000926 1
4 34 bmse000926 1
4 44 bmse000926 1
4 55 bmse000926 1
4 65 bmse000926 1
4 75 bmse000926 1
4 85 bmse000926 1
4 97 bmse000926 1
5 5 bmse000926 1
5 15 bmse000926 1
5 25 bmse000926 1
5 35 bmse000926 1
5 45 bmse000926 1
5 56 bmse000926 1
5 66 bmse000926 1
5 76 bmse000926 1
5 86 bmse000926 1
5 98 bmse000926 1
6 6 bmse000926 1
6 16 bmse000926 1
6 26 bmse000926 1
6 36 bmse000926 1
6 46 bmse000926 1
6 57 bmse000926 1
6 67 bmse000926 1
6 77 bmse000926 1
6 87 bmse000926 1
6 99 bmse000926 1
7 7 bmse000926 1
7 17 bmse000926 1
7 27 bmse000926 1
7 37 bmse000926 1
7 47 bmse000926 1
7 58 bmse000926 1
7 68 bmse000926 1
7 78 bmse000926 1
7 88 bmse000926 1
7 100 bmse000926 1
8 8 bmse000926 1
8 18 bmse000926 1
8 28 bmse000926 1
8 38 bmse000926 1
8 48 bmse000926 1
8 59 bmse000926 1
8 69 bmse000926 1
8 79 bmse000926 1
8 89 bmse000926 1
8 101 bmse000926 1
9 9 bmse000926 1
9 19 bmse000926 1
9 29 bmse000926 1
9 39 bmse000926 1
9 49 bmse000926 1
9 60 bmse000926 1
9 70 bmse000926 1
9 80 bmse000926 1
9 90 bmse000926 1
9 102 bmse000926 1
10 10 bmse000926 1
10 20 bmse000926 1
10 30 bmse000926 1
10 40 bmse000926 1
10 50 bmse000926 1
10 61 bmse000926 1
10 71 bmse000926 1
10 81 bmse000926 1
10 91 bmse000926 1
10 103 bmse000926 1
11 92 bmse000926 1
11 105 bmse000926 1
12 93 bmse000926 1
12 106 bmse000926 1
13 109 bmse000926 1
13 111 bmse000926 1
13 113 bmse000926 1
13 115 bmse000926 1
13 117 bmse000926 1
13 119 bmse000926 1
13 121 bmse000926 1
13 123 bmse000926 1
13 125 bmse000926 1
13 127 bmse000926 1
13 131 bmse000926 1
13 133 bmse000926 1
13 135 bmse000926 1
13 137 bmse000926 1
13 139 bmse000926 1
13 141 bmse000926 1
13 143 bmse000926 1
13 145 bmse000926 1
13 148 bmse000926 1
13 150 bmse000926 1
14 110 bmse000926 1
14 112 bmse000926 1
14 114 bmse000926 1
14 116 bmse000926 1
14 118 bmse000926 1
14 120 bmse000926 1
14 122 bmse000926 1
14 124 bmse000926 1
14 126 bmse000926 1
14 128 bmse000926 1
14 132 bmse000926 1
14 134 bmse000926 1
14 136 bmse000926 1
14 138 bmse000926 1
14 140 bmse000926 1
14 142 bmse000926 1
14 144 bmse000926 1
14 146 bmse000926 1
14 149 bmse000926 1
14 151 bmse000926 1
15 147 bmse000926 1
15 154 bmse000926 1
stop_
save_