###################################
# 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_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode set_1
_Assigned_chem_shift_list.Entry_ID 5993
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_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 $sample_1 . 5993 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 1 1 DC H5 H 1 5.86 0.01 . 1 . . . . . . . . 5993 1
2 . 1 1 1 1 DC H6 H 1 7.60 0.01 . 1 . . . . . . . . 5993 1
3 . 1 1 1 1 DC H1' H 1 5.69 0.01 . 1 . . . . . . . . 5993 1
4 . 1 1 1 1 DC H2' H 1 1.92 0.01 . 1 . . . . . . . . 5993 1
5 . 1 1 1 1 DC H2'' H 1 2.35 0.01 . 1 . . . . . . . . 5993 1
6 . 1 1 1 1 DC H3' H 1 4.64 0.01 . 1 . . . . . . . . 5993 1
7 . 1 1 1 1 DC H4' H 1 4.01 0.01 . 1 . . . . . . . . 5993 1
8 . 1 1 1 1 DC H5' H 1 3.66 0.01 . 2 . . . . . . . . 5993 1
9 . 1 1 1 1 DC H5'' H 1 3.68 0.01 . 2 . . . . . . . . 5993 1
10 . 1 1 2 2 DG H1 H 1 13.01 0.01 . 1 . . . . . . . . 5993 1
11 . 1 1 2 2 DG H8 H 1 7.90 0.01 . 1 . . . . . . . . 5993 1
12 . 1 1 2 2 DG H1' H 1 5.78 0.01 . 1 . . . . . . . . 5993 1
13 . 1 1 2 2 DG H2' H 1 2.56 0.01 . 1 . . . . . . . . 5993 1
14 . 1 1 2 2 DG H2'' H 1 2.61 0.01 . 1 . . . . . . . . 5993 1
15 . 1 1 2 2 DG H3' H 1 4.90 0.01 . 1 . . . . . . . . 5993 1
16 . 1 1 2 2 DG H4' H 1 4.27 0.01 . 1 . . . . . . . . 5993 1
17 . 1 1 2 2 DG H5' H 1 4.00 0.01 . 2 . . . . . . . . 5993 1
18 . 1 1 2 2 DG H5'' H 1 3.91 0.01 . 2 . . . . . . . . 5993 1
19 . 1 1 3 3 DC H41 H 1 8.30 0.01 . 2 . . . . . . . . 5993 1
20 . 1 1 3 3 DC H42 H 1 6.53 0.01 . 2 . . . . . . . . 5993 1
21 . 1 1 3 3 DC H5 H 1 5.37 0.01 . 1 . . . . . . . . 5993 1
22 . 1 1 3 3 DC H6 H 1 7.30 0.01 . 1 . . . . . . . . 5993 1
23 . 1 1 3 3 DC H1' H 1 5.27 0.01 . 1 . . . . . . . . 5993 1
24 . 1 1 3 3 DC H2' H 1 1.81 0.01 . 1 . . . . . . . . 5993 1
25 . 1 1 3 3 DC H2'' H 1 2.14 0.01 . 1 . . . . . . . . 5993 1
26 . 1 1 3 3 DC H3' H 1 4.72 0.01 . 1 . . . . . . . . 5993 1
27 . 1 1 3 3 DC H4' H 1 4.04 0.01 . 1 . . . . . . . . 5993 1
28 . 1 1 3 3 DC H5' H 1 4.02 0.01 . 2 . . . . . . . . 5993 1
29 . 1 1 4 4 DA H2 H 1 7.06 0.01 . 1 . . . . . . . . 5993 1
30 . 1 1 4 4 DA H61 H 1 7.58 0.01 . 2 . . . . . . . . 5993 1
31 . 1 1 4 4 DA H62 H 1 5.97 0.01 . 2 . . . . . . . . 5993 1
32 . 1 1 4 4 DA H2' H 1 2.70 0.01 . 1 . . . . . . . . 5993 1
33 . 1 1 4 4 DA H2'' H 1 2.85 0.01 . 1 . . . . . . . . 5993 1
34 . 1 1 4 4 DA H3' H 1 4.98 0.01 . 1 . . . . . . . . 5993 1
35 . 1 1 4 4 DA H4' H 1 4.34 0.01 . 1 . . . . . . . . 5993 1
36 . 1 1 4 4 DA H5' H 1 4.05 0.01 . 2 . . . . . . . . 5993 1
37 . 1 1 4 4 DA H5'' H 1 3.94 0.01 . 2 . . . . . . . . 5993 1
38 . 1 1 5 5 DA H2 H 1 6.87 0.01 . 1 . . . . . . . . 5993 1
39 . 1 1 5 5 DA H61 H 1 7.21 0.01 . 2 . . . . . . . . 5993 1
40 . 1 1 5 5 DA H62 H 1 5.96 0.01 . 2 . . . . . . . . 5993 1
41 . 1 1 5 5 DA H8 H 1 8.06 0.01 . 1 . . . . . . . . 5993 1
42 . 1 1 5 5 DA H1' H 1 5.86 0.01 . 1 . . . . . . . . 5993 1
43 . 1 1 5 5 DA H2' H 1 2.60 0.01 . 1 . . . . . . . . 5993 1
44 . 1 1 5 5 DA H2'' H 1 2.89 0.01 . 1 . . . . . . . . 5993 1
45 . 1 1 5 5 DA H3' H 1 5.00 0.01 . 1 . . . . . . . . 5993 1
46 . 1 1 5 5 DA H4' H 1 4.42 0.01 . 1 . . . . . . . . 5993 1
47 . 1 1 5 5 DA H5' H 1 4.17 0.01 . 2 . . . . . . . . 5993 1
48 . 1 1 5 5 DA H5'' H 1 4.08 0.01 . 2 . . . . . . . . 5993 1
49 . 1 1 6 6 DA H2 H 1 7.50 0.01 . 1 . . . . . . . . 5993 1
50 . 1 1 6 6 DA H61 H 1 6.92 0.01 . 2 . . . . . . . . 5993 1
51 . 1 1 6 6 DA H62 H 1 6.04 0.01 . 2 . . . . . . . . 5993 1
52 . 1 1 6 6 DA H8 H 1 8.05 0.01 . 1 . . . . . . . . 5993 1
53 . 1 1 6 6 DA H1' H 1 6.08 0.01 . 1 . . . . . . . . 5993 1
54 . 1 1 6 6 DA H2' H 1 2.48 0.01 . 1 . . . . . . . . 5993 1
55 . 1 1 6 6 DA H2'' H 1 2.91 0.01 . 1 . . . . . . . . 5993 1
56 . 1 1 6 6 DA H3' H 1 4.95 0.01 . 1 . . . . . . . . 5993 1
57 . 1 1 6 6 DA H4' H 1 4.40 0.01 . 1 . . . . . . . . 5993 1
58 . 1 1 6 6 DA H5' H 1 4.25 0.01 . 2 . . . . . . . . 5993 1
59 . 1 1 6 6 DA H5'' H 1 4.19 0.01 . 2 . . . . . . . . 5993 1
60 . 1 1 7 7 DT H3 H 1 13.71 0.01 . 1 . . . . . . . . 5993 1
61 . 1 1 7 7 DT H6 H 1 7.10 0.01 . 1 . . . . . . . . 5993 1
62 . 1 1 7 7 DT H71 H 1 1.19 0.01 . 1 . . . . . . . . 5993 1
63 . 1 1 7 7 DT H72 H 1 1.19 0.01 . 1 . . . . . . . . 5993 1
64 . 1 1 7 7 DT H73 H 1 1.19 0.01 . 1 . . . . . . . . 5993 1
65 . 1 1 7 7 DT H1' H 1 5.88 0.01 . 1 . . . . . . . . 5993 1
66 . 1 1 7 7 DT H2' H 1 1.97 0.01 . 2 . . . . . . . . 5993 1
67 . 1 1 7 7 DT H2'' H 1 2.54 0.01 . 2 . . . . . . . . 5993 1
68 . 1 1 7 7 DT H3' H 1 4.80 0.01 . 1 . . . . . . . . 5993 1
69 . 1 1 7 7 DT H4' H 1 4.32 0.01 . 1 . . . . . . . . 5993 1
70 . 1 1 7 7 DT H5' H 1 4.17 0.01 . 2 . . . . . . . . 5993 1
71 . 1 1 7 7 DT H5'' H 1 4.09 0.01 . 2 . . . . . . . . 5993 1
72 . 1 1 8 8 DT H3 H 1 13.86 0.01 . 1 . . . . . . . . 5993 1
73 . 1 1 8 8 DT H6 H 1 7.31 0.01 . 1 . . . . . . . . 5993 1
74 . 1 1 8 8 DT H71 H 1 1.46 0.01 . 1 . . . . . . . . 5993 1
75 . 1 1 8 8 DT H72 H 1 1.46 0.01 . 1 . . . . . . . . 5993 1
76 . 1 1 8 8 DT H73 H 1 1.46 0.01 . 1 . . . . . . . . 5993 1
77 . 1 1 8 8 DT H1' H 1 6.09 0.01 . 1 . . . . . . . . 5993 1
78 . 1 1 8 8 DT H2' H 1 2.22 0.01 . 1 . . . . . . . . 5993 1
79 . 1 1 8 8 DT H2'' H 1 2.60 0.01 . 1 . . . . . . . . 5993 1
80 . 1 1 8 8 DT H3' H 1 4.89 0.01 . 1 . . . . . . . . 5993 1
81 . 1 1 8 8 DT H4' H 1 4.22 0.01 . 1 . . . . . . . . 5993 1
82 . 1 1 8 8 DT H5' H 1 4.09 0.01 . 2 . . . . . . . . 5993 1
83 . 1 1 8 8 DT H5'' H 1 3.97 0.01 . 2 . . . . . . . . 5993 1
84 . 1 1 9 9 chem_comp_1 H3 H 1 13.90 0.01 . 1 . . . . . . . . 5993 1
85 . 1 1 9 9 chem_comp_1 H6 H 1 6.88 0.01 . 1 . . . . . . . . 5993 1
86 . 1 1 9 9 chem_comp_1 H1' H 1 5.90 0.01 . 1 . . . . . . . . 5993 1
87 . 1 1 9 9 chem_comp_1 H2' H 1 1.99 0.01 . 1 . . . . . . . . 5993 1
88 . 1 1 9 9 chem_comp_1 H2'' H 1 2.45 0.01 . 1 . . . . . . . . 5993 1
89 . 1 1 9 9 chem_comp_1 H3' H 1 4.87 0.01 . 1 . . . . . . . . 5993 1
90 . 1 1 9 9 chem_comp_1 H4' H 1 4.16 0.01 . 1 . . . . . . . . 5993 1
91 . 1 1 9 9 chem_comp_1 H5' H 1 4.06 0.01 . 2 . . . . . . . . 5993 1
92 . 1 1 10 10 DG H1 H 1 12.67 0.01 . 1 . . . . . . . . 5993 1
93 . 1 1 10 10 DG H8 H 1 7.92 0.01 . 1 . . . . . . . . 5993 1
94 . 1 1 10 10 DG H1' H 1 5.76 0.01 . 1 . . . . . . . . 5993 1
95 . 1 1 10 10 DG H2' H 1 2.60 0.01 . 1 . . . . . . . . 5993 1
96 . 1 1 10 10 DG H2'' H 1 2.60 0.01 . 1 . . . . . . . . 5993 1
97 . 1 1 10 10 DG H3' H 1 4.95 0.01 . 1 . . . . . . . . 5993 1
98 . 1 1 10 10 DG H4' H 1 4.34 0.01 . 1 . . . . . . . . 5993 1
99 . 1 1 10 10 DG H5' H 1 4.10 0.01 . 2 . . . . . . . . 5993 1
100 . 1 1 10 10 DG H5'' H 1 4.01 0.01 . 2 . . . . . . . . 5993 1
101 . 1 1 11 11 DC H41 H 1 8.42 0.01 . 2 . . . . . . . . 5993 1
102 . 1 1 11 11 DC H42 H 1 6.63 0.01 . 2 . . . . . . . . 5993 1
103 . 1 1 11 11 DC H5 H 1 5.37 0.01 . 1 . . . . . . . . 5993 1
104 . 1 1 11 11 DC H6 H 1 7.31 0.01 . 1 . . . . . . . . 5993 1
105 . 1 1 11 11 DC H1' H 1 5.67 0.01 . 1 . . . . . . . . 5993 1
106 . 1 1 11 11 DC H2' H 1 1.85 0.01 . 1 . . . . . . . . 5993 1
107 . 1 1 11 11 DC H2'' H 1 2.28 0.01 . 1 . . . . . . . . 5993 1
108 . 1 1 11 11 DC H3' H 1 4.75 0.01 . 1 . . . . . . . . 5993 1
109 . 1 1 11 11 DC H4' H 1 4.16 0.01 . 1 . . . . . . . . 5993 1
110 . 1 1 11 11 DC H5' H 1 4.11 0.01 . 2 . . . . . . . . 5993 1
111 . 1 1 11 11 DC H5'' H 1 4.04 0.01 . 2 . . . . . . . . 5993 1
112 . 1 1 12 12 DG H8 H 1 7.92 0.01 . 1 . . . . . . . . 5993 1
113 . 1 1 12 12 DG H1' H 1 6.12 0.01 . 1 . . . . . . . . 5993 1
114 . 1 1 12 12 DG H2' H 1 2.30 0.01 . 1 . . . . . . . . 5993 1
115 . 1 1 12 12 DG H2'' H 1 2.58 0.01 . 1 . . . . . . . . 5993 1
116 . 1 1 12 12 DG H3' H 1 4.62 0.01 . 1 . . . . . . . . 5993 1
117 . 1 1 12 12 DG H4' H 1 4.12 0.01 . 1 . . . . . . . . 5993 1
118 . 1 1 12 12 DG H5' H 1 4.02 0.01 . 1 . . . . . . . . 5993 1
stop_
save_