###################################
# 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_KIA7BRMBlist_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode KIA7BRMBlist_1
_Assigned_chem_shift_list.Entry_ID 15391
_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 $KIA7BRMBlist
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H NOESY' . . . 15391 1
2 '2D 1H-1H TOCSY' . . . 15391 1
3 '2D DQF-COSY' . . . 15391 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_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.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_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 2 2 ALA H H 1 8.67 0.01 . 1 . . . . 1 ALA H . 15391 1
2 . 1 1 2 2 ALA HA H 1 4.18 0.01 . 1 . . . . 1 ALA HA . 15391 1
3 . 1 1 2 2 ALA HB1 H 1 1.51 0.01 . 1 . . . . 1 ALA HB . 15391 1
4 . 1 1 2 2 ALA HB2 H 1 1.51 0.01 . 1 . . . . 1 ALA HB . 15391 1
5 . 1 1 2 2 ALA HB3 H 1 1.51 0.01 . 1 . . . . 1 ALA HB . 15391 1
6 . 1 1 3 3 LYS H H 1 8.63 0.01 . 1 . . . . 2 LYS H . 15391 1
7 . 1 1 3 3 LYS HA H 1 4.18 0.01 . 1 . . . . 2 LYS HA . 15391 1
8 . 1 1 3 3 LYS HB2 H 1 1.60 0.01 . 1 . . . . 2 LYS HB2 . 15391 1
9 . 1 1 3 3 LYS HB3 H 1 1.90 0.01 . 1 . . . . 2 LYS HB3 . 15391 1
10 . 1 1 3 3 LYS HD2 H 1 1.72 0.01 . 2 . . . . 2 LYS HD2 . 15391 1
11 . 1 1 3 3 LYS HD3 H 1 1.72 0.01 . 2 . . . . 2 LYS HD3 . 15391 1
12 . 1 1 3 3 LYS HE2 H 1 3.01 0.01 . 2 . . . . 2 LYS HE2 . 15391 1
13 . 1 1 3 3 LYS HE3 H 1 3.01 0.01 . 2 . . . . 2 LYS HE3 . 15391 1
14 . 1 1 3 3 LYS HG2 H 1 1.43 0.01 . 2 . . . . 2 LYS HG2 . 15391 1
15 . 1 1 3 3 LYS HG3 H 1 1.43 0.01 . 2 . . . . 2 LYS HG3 . 15391 1
16 . 1 1 4 4 ALA H H 1 8.36 0.01 . 1 . . . . 3 ALA H . 15391 1
17 . 1 1 4 4 ALA HA H 1 4.29 0.01 . 1 . . . . 3 ALA HA . 15391 1
18 . 1 1 4 4 ALA HB1 H 1 1.52 0.01 . 1 . . . . 3 ALA HB . 15391 1
19 . 1 1 4 4 ALA HB2 H 1 1.52 0.01 . 1 . . . . 3 ALA HB . 15391 1
20 . 1 1 4 4 ALA HB3 H 1 1.52 0.01 . 1 . . . . 3 ALA HB . 15391 1
21 . 1 1 5 5 ALA H H 1 8.25 0.01 . 1 . . . . 4 ALA H . 15391 1
22 . 1 1 5 5 ALA HA H 1 4.05 0.01 . 1 . . . . 4 ALA HA . 15391 1
23 . 1 1 5 5 ALA HB1 H 1 1.34 0.01 . 1 . . . . 4 ALA HB . 15391 1
24 . 1 1 5 5 ALA HB2 H 1 1.34 0.01 . 1 . . . . 4 ALA HB . 15391 1
25 . 1 1 5 5 ALA HB3 H 1 1.34 0.01 . 1 . . . . 4 ALA HB . 15391 1
26 . 1 1 6 6 ALA H H 1 8.17 0.01 . 1 . . . . 5 ALA H . 15391 1
27 . 1 1 6 6 ALA HA H 1 3.87 0.01 . 1 . . . . 5 ALA HA . 15391 1
28 . 1 1 6 6 ALA HB1 H 1 1.50 0.01 . 1 . . . . 5 ALA HB . 15391 1
29 . 1 1 6 6 ALA HB2 H 1 1.50 0.01 . 1 . . . . 5 ALA HB . 15391 1
30 . 1 1 6 6 ALA HB3 H 1 1.50 0.01 . 1 . . . . 5 ALA HB . 15391 1
31 . 1 1 7 7 ALA H H 1 7.86 0.01 . 1 . . . . 6 ALA H . 15391 1
32 . 1 1 7 7 ALA HA H 1 4.17 0.01 . 1 . . . . 6 ALA HA . 15391 1
33 . 1 1 7 7 ALA HB1 H 1 1.52 0.01 . 1 . . . . 6 ALA HB . 15391 1
34 . 1 1 7 7 ALA HB2 H 1 1.52 0.01 . 1 . . . . 6 ALA HB . 15391 1
35 . 1 1 7 7 ALA HB3 H 1 1.52 0.01 . 1 . . . . 6 ALA HB . 15391 1
36 . 1 1 8 8 ALA H H 1 8.20 0.01 . 1 . . . . 7 ALA H . 15391 1
37 . 1 1 8 8 ALA HA H 1 4.26 0.01 . 1 . . . . 7 ALA HA . 15391 1
38 . 1 1 8 8 ALA HB1 H 1 1.41 0.01 . 1 . . . . 7 ALA HB . 15391 1
39 . 1 1 8 8 ALA HB2 H 1 1.41 0.01 . 1 . . . . 7 ALA HB . 15391 1
40 . 1 1 8 8 ALA HB3 H 1 1.41 0.01 . 1 . . . . 7 ALA HB . 15391 1
41 . 1 1 9 9 ILE H H 1 8.34 0.01 . 1 . . . . 8 ILE H . 15391 1
42 . 1 1 9 9 ILE HA H 1 3.54 0.01 . 1 . . . . 8 ILE HA . 15391 1
43 . 1 1 9 9 ILE HB H 1 1.59 0.01 . 1 . . . . 8 ILE HB . 15391 1
44 . 1 1 9 9 ILE HD11 H 1 0.39 0.01 . 1 . . . . 8 ILE HD1 . 15391 1
45 . 1 1 9 9 ILE HD12 H 1 0.39 0.01 . 1 . . . . 8 ILE HD1 . 15391 1
46 . 1 1 9 9 ILE HD13 H 1 0.39 0.01 . 1 . . . . 8 ILE HD1 . 15391 1
47 . 1 1 9 9 ILE HG12 H 1 1.08 0.01 . 1 . . . . 8 ILE HG12 . 15391 1
48 . 1 1 9 9 ILE HG13 H 1 0.62 0.01 . 1 . . . . 8 ILE HG13 . 15391 1
49 . 1 1 9 9 ILE HG21 H 1 0.32 0.01 . 1 . . . . 8 ILE HG2 . 15391 1
50 . 1 1 9 9 ILE HG22 H 1 0.32 0.01 . 1 . . . . 8 ILE HG2 . 15391 1
51 . 1 1 9 9 ILE HG23 H 1 0.32 0.01 . 1 . . . . 8 ILE HG2 . 15391 1
52 . 1 1 10 10 LYS H H 1 7.76 0.01 . 1 . . . . 9 LYS H . 15391 1
53 . 1 1 10 10 LYS HA H 1 3.99 0.01 . 1 . . . . 9 LYS HA . 15391 1
54 . 1 1 10 10 LYS HB2 H 1 1.94 0.01 . 1 . . . . 9 LYS HB2 . 15391 1
55 . 1 1 10 10 LYS HB3 H 1 1.61 0.01 . 1 . . . . 9 LYS HB3 . 15391 1
56 . 1 1 10 10 LYS HD2 H 1 1.70 0.01 . 2 . . . . 9 LYS HD2 . 15391 1
57 . 1 1 10 10 LYS HD3 H 1 1.70 0.01 . 2 . . . . 9 LYS HD3 . 15391 1
58 . 1 1 10 10 LYS HE2 H 1 3.02 0.01 . 2 . . . . 9 LYS HE2 . 15391 1
59 . 1 1 10 10 LYS HE3 H 1 3.02 0.01 . 2 . . . . 9 LYS HE3 . 15391 1
60 . 1 1 10 10 LYS HG2 H 1 1.45 0.01 . 2 . . . . 9 LYS HG2 . 15391 1
61 . 1 1 10 10 LYS HG3 H 1 1.45 0.01 . 2 . . . . 9 LYS HG3 . 15391 1
62 . 1 1 10 10 LYS HZ1 H 1 7.65 0.01 . 1 . . . . 9 LYS HZ . 15391 1
63 . 1 1 10 10 LYS HZ2 H 1 7.65 0.01 . 1 . . . . 9 LYS HZ . 15391 1
64 . 1 1 10 10 LYS HZ3 H 1 7.65 0.01 . 1 . . . . 9 LYS HZ . 15391 1
65 . 1 1 11 11 ALA H H 1 7.91 0.01 . 1 . . . . 10 ALA H . 15391 1
66 . 1 1 11 11 ALA HA H 1 4.24 0.01 . 1 . . . . 10 ALA HA . 15391 1
67 . 1 1 11 11 ALA HB1 H 1 1.57 0.01 . 1 . . . . 10 ALA HB . 15391 1
68 . 1 1 11 11 ALA HB2 H 1 1.57 0.01 . 1 . . . . 10 ALA HB . 15391 1
69 . 1 1 11 11 ALA HB3 H 1 1.57 0.01 . 1 . . . . 10 ALA HB . 15391 1
70 . 1 1 12 12 ILE H H 1 8.43 0.01 . 1 . . . . 11 ILE H . 15391 1
71 . 1 1 12 12 ILE HA H 1 3.57 0.01 . 1 . . . . 11 ILE HA . 15391 1
72 . 1 1 12 12 ILE HB H 1 1.87 0.01 . 1 . . . . 11 ILE HB . 15391 1
73 . 1 1 12 12 ILE HD11 H 1 0.90 0.01 . 1 . . . . 11 ILE HD1 . 15391 1
74 . 1 1 12 12 ILE HD12 H 1 0.90 0.01 . 1 . . . . 11 ILE HD1 . 15391 1
75 . 1 1 12 12 ILE HD13 H 1 0.90 0.01 . 1 . . . . 11 ILE HD1 . 15391 1
76 . 1 1 12 12 ILE HG12 H 1 1.60 0.01 . 1 . . . . 11 ILE HG12 . 15391 1
77 . 1 1 12 12 ILE HG13 H 1 1.20 0.01 . 1 . . . . 11 ILE HG13 . 15391 1
78 . 1 1 12 12 ILE HG21 H 1 0.80 0.01 . 1 . . . . 11 ILE HG2 . 15391 1
79 . 1 1 12 12 ILE HG22 H 1 0.80 0.01 . 1 . . . . 11 ILE HG2 . 15391 1
80 . 1 1 12 12 ILE HG23 H 1 0.80 0.01 . 1 . . . . 11 ILE HG2 . 15391 1
81 . 1 1 13 13 ALA H H 1 9.17 0.01 . 1 . . . . 12 ALA H . 15391 1
82 . 1 1 13 13 ALA HA H 1 3.84 0.01 . 1 . . . . 12 ALA HA . 15391 1
83 . 1 1 13 13 ALA HB1 H 1 1.51 0.01 . 1 . . . . 12 ALA HB . 15391 1
84 . 1 1 13 13 ALA HB2 H 1 1.51 0.01 . 1 . . . . 12 ALA HB . 15391 1
85 . 1 1 13 13 ALA HB3 H 1 1.51 0.01 . 1 . . . . 12 ALA HB . 15391 1
86 . 1 1 14 14 ALA H H 1 7.93 0.01 . 1 . . . . 13 ALA H . 15391 1
87 . 1 1 14 14 ALA HA H 1 4.25 0.01 . 1 . . . . 13 ALA HA . 15391 1
88 . 1 1 14 14 ALA HB1 H 1 1.58 0.01 . 1 . . . . 13 ALA HB . 15391 1
89 . 1 1 14 14 ALA HB2 H 1 1.58 0.01 . 1 . . . . 13 ALA HB . 15391 1
90 . 1 1 14 14 ALA HB3 H 1 1.58 0.01 . 1 . . . . 13 ALA HB . 15391 1
91 . 1 1 15 15 ILE H H 1 7.41 0.01 . 1 . . . . 14 ILE H . 15391 1
92 . 1 1 15 15 ILE HA H 1 3.79 0.01 . 1 . . . . 14 ILE HA . 15391 1
93 . 1 1 15 15 ILE HB H 1 2.07 0.01 . 1 . . . . 14 ILE HB . 15391 1
94 . 1 1 15 15 ILE HD11 H 1 0.82 0.01 . 1 . . . . 14 ILE HD1 . 15391 1
95 . 1 1 15 15 ILE HD12 H 1 0.82 0.01 . 1 . . . . 14 ILE HD1 . 15391 1
96 . 1 1 15 15 ILE HD13 H 1 0.82 0.01 . 1 . . . . 14 ILE HD1 . 15391 1
97 . 1 1 15 15 ILE HG12 H 1 1.78 0.01 . 1 . . . . 14 ILE HG12 . 15391 1
98 . 1 1 15 15 ILE HG13 H 1 1.20 0.01 . 1 . . . . 14 ILE HG13 . 15391 1
99 . 1 1 15 15 ILE HG21 H 1 1.03 0.01 . 1 . . . . 14 ILE HG2 . 15391 1
100 . 1 1 15 15 ILE HG22 H 1 1.03 0.01 . 1 . . . . 14 ILE HG2 . 15391 1
101 . 1 1 15 15 ILE HG23 H 1 1.03 0.01 . 1 . . . . 14 ILE HG2 . 15391 1
102 . 1 1 16 16 ILE H H 1 7.97 0.01 . 1 . . . . 15 ILE H . 15391 1
103 . 1 1 16 16 ILE HA H 1 3.97 0.01 . 1 . . . . 15 ILE HA . 15391 1
104 . 1 1 16 16 ILE HB H 1 2.36 0.01 . 1 . . . . 15 ILE HB . 15391 1
105 . 1 1 16 16 ILE HD11 H 1 0.67 0.01 . 1 . . . . 15 ILE HD1 . 15391 1
106 . 1 1 16 16 ILE HD12 H 1 0.67 0.01 . 1 . . . . 15 ILE HD1 . 15391 1
107 . 1 1 16 16 ILE HD13 H 1 0.67 0.01 . 1 . . . . 15 ILE HD1 . 15391 1
108 . 1 1 16 16 ILE HG12 H 1 1.80 0.01 . 1 . . . . 15 ILE HG12 . 15391 1
109 . 1 1 16 16 ILE HG13 H 1 1.21 0.01 . 1 . . . . 15 ILE HG13 . 15391 1
110 . 1 1 16 16 ILE HG21 H 1 0.98 0.01 . 1 . . . . 15 ILE HG2 . 15391 1
111 . 1 1 16 16 ILE HG22 H 1 0.98 0.01 . 1 . . . . 15 ILE HG2 . 15391 1
112 . 1 1 16 16 ILE HG23 H 1 0.98 0.01 . 1 . . . . 15 ILE HG2 . 15391 1
113 . 1 1 17 17 LYS H H 1 8.60 0.01 . 1 . . . . 16 LYS H . 15391 1
114 . 1 1 17 17 LYS HA H 1 4.17 0.01 . 1 . . . . 16 LYS HA . 15391 1
115 . 1 1 17 17 LYS HB2 H 1 1.90 0.01 . 1 . . . . 16 LYS HB2 . 15391 1
116 . 1 1 17 17 LYS HB3 H 1 2.00 0.01 . 1 . . . . 16 LYS HB3 . 15391 1
117 . 1 1 17 17 LYS HD2 H 1 1.70 0.01 . 2 . . . . 16 LYS HD2 . 15391 1
118 . 1 1 17 17 LYS HD3 H 1 1.70 0.01 . 2 . . . . 16 LYS HD3 . 15391 1
119 . 1 1 17 17 LYS HE2 H 1 2.99 0.01 . 2 . . . . 16 LYS HE2 . 15391 1
120 . 1 1 17 17 LYS HE3 H 1 2.99 0.01 . 2 . . . . 16 LYS HE3 . 15391 1
121 . 1 1 17 17 LYS HG2 H 1 1.49 0.01 . 2 . . . . 16 LYS HG2 . 15391 1
122 . 1 1 17 17 LYS HG3 H 1 1.49 0.01 . 2 . . . . 16 LYS HG3 . 15391 1
123 . 1 1 17 17 LYS HZ1 H 1 7.59 0.01 . 1 . . . . 16 LYS HZ . 15391 1
124 . 1 1 17 17 LYS HZ2 H 1 7.59 0.01 . 1 . . . . 16 LYS HZ . 15391 1
125 . 1 1 17 17 LYS HZ3 H 1 7.59 0.01 . 1 . . . . 16 LYS HZ . 15391 1
126 . 1 1 18 18 ALA H H 1 8.41 0.01 . 1 . . . . 17 ALA H . 15391 1
127 . 1 1 18 18 ALA HA H 1 4.15 0.01 . 1 . . . . 17 ALA HA . 15391 1
128 . 1 1 18 18 ALA HB1 H 1 1.53 0.01 . 1 . . . . 17 ALA HB . 15391 1
129 . 1 1 18 18 ALA HB2 H 1 1.53 0.01 . 1 . . . . 17 ALA HB . 15391 1
130 . 1 1 18 18 ALA HB3 H 1 1.53 0.01 . 1 . . . . 17 ALA HB . 15391 1
131 . 1 1 19 19 GLY H H 1 7.57 0.01 . 1 . . . . 18 GLY H . 15391 1
132 . 1 1 19 19 GLY HA2 H 1 4.08 0.01 . 1 . . . . 18 GLY HA2 . 15391 1
133 . 1 1 19 19 GLY HA3 H 1 3.42 0.01 . 1 . . . . 18 GLY HA3 . 15391 1
134 . 1 1 20 20 GLY H H 1 7.65 0.01 . 1 . . . . 19 GLY H . 15391 1
135 . 1 1 20 20 GLY HA2 H 1 3.82 0.01 . 2 . . . . 19 GLY HA2 . 15391 1
136 . 1 1 20 20 GLY HA3 H 1 3.82 0.01 . 2 . . . . 19 GLY HA3 . 15391 1
137 . 1 1 21 21 TYR H H 1 7.60 0.01 . 1 . . . . 20 TYC H . 15391 1
138 . 1 1 21 21 TYR HA H 1 4.46 0.01 . 1 . . . . 20 TYC HA . 15391 1
139 . 1 1 21 21 TYR HB2 H 1 2.74 0.01 . 1 . . . . 20 TYC HB2 . 15391 1
140 . 1 1 21 21 TYR HB3 H 1 3.12 0.01 . 1 . . . . 20 TYC HB3 . 15391 1
141 . 1 1 21 21 TYR HD1 H 1 7.14 0.01 . 3 . . . . 20 TYC HD1 . 15391 1
142 . 1 1 21 21 TYR HD2 H 1 7.14 0.01 . 3 . . . . 20 TYC HD2 . 15391 1
143 . 1 1 21 21 TYR HE1 H 1 6.70 0.01 . 3 . . . . 20 TYC HE1 . 15391 1
144 . 1 1 21 21 TYR HE2 H 1 6.70 0.01 . 3 . . . . 20 TYC HE2 . 15391 1
145 . 1 1 21 21 TYR HH H 1 9.32 0.01 . 1 . . . . 20 TYC HH . 15391 1
stop_
save_