###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18781
_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 $chemical_shift_reference_1
_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 NOESY' . . . 18781 1
2 '2D TOCSY' . . . 18781 1
3 '2D DQF-COSY' . . . 18781 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 H1' H 1 5.59 . . 1 . . . B 1 DC H1' . 18781 1
2 . 1 1 1 1 DC H2' H 1 1.69 . . 1 . . . B 1 DC H2' . 18781 1
3 . 1 1 1 1 DC H2'' H 1 2.20 . . 1 . . . B 1 DC H2'' . 18781 1
4 . 1 1 1 1 DC H3' H 1 4.55 . . 1 . . . B 1 DC H3' . 18781 1
5 . 1 1 1 1 DC H4' H 1 3.93 . . 1 . . . B 1 DC H4' . 18781 1
6 . 1 1 1 1 DC H5 H 1 5.79 . . 1 . . . B 1 DC H5 . 18781 1
7 . 1 1 1 1 DC H6 H 1 7.48 . . 1 . . . B 1 DC H6 . 18781 1
8 . 1 1 2 2 DG H1' H 1 5.17 . . 1 . . . B 2 DG H1' . 18781 1
9 . 1 1 2 2 DG H2' H 1 2.54 . . 1 . . . B 2 DG H2' . 18781 1
10 . 1 1 2 2 DG H2'' H 1 2.57 . . 1 . . . B 2 DG H2'' . 18781 1
11 . 1 1 2 2 DG H3' H 1 4.85 . . 1 . . . B 2 DG H3' . 18781 1
12 . 1 1 2 2 DG H4' H 1 4.15 . . 1 . . . B 2 DG H4' . 18781 1
13 . 1 1 2 2 DG H8 H 1 7.81 . . 1 . . . B 2 DG H8 . 18781 1
14 . 1 1 3 3 DA H1' H 1 5.75 . . 1 . . . B 3 DA H1' . 18781 1
15 . 1 1 3 3 DA H2 H 1 7.22 . . 1 . . . B 3 DA H2 . 18781 1
16 . 1 1 3 3 DA H2' H 1 2.58 . . 1 . . . B 3 DA H2' . 18781 1
17 . 1 1 3 3 DA H2'' H 1 2.74 . . 1 . . . B 3 DA H2'' . 18781 1
18 . 1 1 3 3 DA H3' H 1 4.94 . . 1 . . . B 3 DA H3' . 18781 1
19 . 1 1 3 3 DA H4' H 1 4.30 . . 1 . . . B 3 DA H4' . 18781 1
20 . 1 1 3 3 DA H8 H 1 8.05 . . 1 . . . B 3 DA H8 . 18781 1
21 . 1 1 4 4 DA H1' H 1 5.74 . . 1 . . . B 4 DA H1' . 18781 1
22 . 1 1 4 4 DA H2 H 1 7.21 . . 1 . . . B 4 DA H2 . 18781 1
23 . 1 1 4 4 DA H2' H 1 2.35 . . 1 . . . B 4 DA H2' . 18781 1
24 . 1 1 4 4 DA H2'' H 1 2.59 . . 1 . . . B 4 DA H2'' . 18781 1
25 . 1 1 4 4 DA H3' H 1 4.89 . . 1 . . . B 4 DA H3' . 18781 1
26 . 1 1 4 4 DA H4' H 1 4.27 . . 1 . . . B 4 DA H4' . 18781 1
27 . 1 1 4 4 DA H8 H 1 7.87 . . 1 . . . B 4 DA H8 . 18781 1
28 . 1 1 5 5 DA H1' H 1 5.26 . . 1 . . . B 5 DA H1' . 18781 1
29 . 1 1 5 5 DA H2 H 1 7.52 . . 1 . . . B 5 DA H2 . 18781 1
30 . 1 1 5 5 DA H2' H 1 2.23 . . 1 . . . B 5 DA H2' . 18781 1
31 . 1 1 5 5 DA H2'' H 1 2.13 . . 1 . . . B 5 DA H2'' . 18781 1
32 . 1 1 5 5 DA H3' H 1 4.74 . . 1 . . . B 5 DA H3' . 18781 1
33 . 1 1 5 5 DA H4' H 1 4.20 . . 1 . . . B 5 DA H4' . 18781 1
34 . 1 1 5 5 DA H8 H 1 7.72 . . 1 . . . B 5 DA H8 . 18781 1
35 . 1 1 6 6 DG H1' H 1 6.03 . . 1 . . . B 6 DG H1' . 18781 1
36 . 1 1 6 6 DG H2' H 1 2.65 . . 1 . . . B 6 DG H2' . 18781 1
37 . 1 1 6 6 DG H2'' H 1 2.74 . . 1 . . . B 6 DG H2'' . 18781 1
38 . 1 1 6 6 DG H3' H 1 4.88 . . 1 . . . B 6 DG H3' . 18781 1
39 . 1 1 6 6 DG H4' H 1 4.33 . . 1 . . . B 6 DG H4' . 18781 1
40 . 1 1 6 6 DG H8 H 1 7.90 . . 1 . . . B 6 DG H8 . 18781 1
41 . 1 1 7 7 DT H1' H 1 5.84 . . 1 . . . B 7 DT H1' . 18781 1
42 . 1 1 7 7 DT H2' H 1 1.98 . . 1 . . . B 7 DT H2' . 18781 1
43 . 1 1 7 7 DT H2'' H 1 2.48 . . 1 . . . B 7 DT H2'' . 18781 1
44 . 1 1 7 7 DT H3' H 1 4.61 . . 1 . . . B 7 DT H3' . 18781 1
45 . 1 1 7 7 DT H4' H 1 4.16 . . 1 . . . B 7 DT H4' . 18781 1
46 . 1 1 7 7 DT H6 H 1 6.97 . . 1 . . . B 7 DT H6 . 18781 1
47 . 1 1 7 7 DT H71 H 1 1.07 . . 1 . . . B 7 DT H71 . 18781 1
48 . 1 1 7 7 DT H72 H 1 1.07 . . 1 . . . B 7 DT H72 . 18781 1
49 . 1 1 7 7 DT H73 H 1 1.07 . . 1 . . . B 7 DT H73 . 18781 1
50 . 1 1 8 8 DT H1' H 1 6.10 . . 1 . . . B 8 DT H1' . 18781 1
51 . 1 1 8 8 DT H2' H 1 2.15 . . 1 . . . B 8 DT H2' . 18781 1
52 . 1 1 8 8 DT H2'' H 1 2.55 . . 1 . . . B 8 DT H2'' . 18781 1
53 . 1 1 8 8 DT H3' H 1 4.82 . . 1 . . . B 8 DT H3' . 18781 1
54 . 1 1 8 8 DT H4' H 1 4.19 . . 1 . . . B 8 DT H4' . 18781 1
55 . 1 1 8 8 DT H6 H 1 7.47 . . 1 . . . B 8 DT H6 . 18781 1
56 . 1 1 8 8 DT H71 H 1 1.51 . . 1 . . . B 8 DT H71 . 18781 1
57 . 1 1 8 8 DT H72 H 1 1.51 . . 1 . . . B 8 DT H72 . 18781 1
58 . 1 1 8 8 DT H73 H 1 1.51 . . 1 . . . B 8 DT H73 . 18781 1
59 . 1 1 9 9 DT H1' H 1 5.98 . . 1 . . . B 9 DT H1' . 18781 1
60 . 1 1 9 9 DT H2' H 1 2.04 . . 1 . . . B 9 DT H2' . 18781 1
61 . 1 1 9 9 DT H2'' H 1 2.40 . . 1 . . . B 9 DT H2'' . 18781 1
62 . 1 1 9 9 DT H3' H 1 4.79 . . 1 . . . B 9 DT H3' . 18781 1
63 . 1 1 9 9 DT H4' H 1 4.09 . . 1 . . . B 9 DT H4' . 18781 1
64 . 1 1 9 9 DT H6 H 1 7.37 . . 1 . . . B 9 DT H6 . 18781 1
65 . 1 1 9 9 DT H71 H 1 1.60 . . 1 . . . B 9 DT H71 . 18781 1
66 . 1 1 9 9 DT H72 H 1 1.60 . . 1 . . . B 9 DT H72 . 18781 1
67 . 1 1 9 9 DT H73 H 1 1.60 . . 1 . . . B 9 DT H73 . 18781 1
68 . 1 1 10 10 DC H1' H 1 5.57 . . 1 . . . B 10 DC H1' . 18781 1
69 . 1 1 10 10 DC H2' H 1 1.91 . . 1 . . . B 10 DC H2' . 18781 1
70 . 1 1 10 10 DC H2'' H 1 2.25 . . 1 . . . B 10 DC H2'' . 18781 1
71 . 1 1 10 10 DC H3' H 1 4.74 . . 1 . . . B 10 DC H3' . 18781 1
72 . 1 1 10 10 DC H4' H 1 4.03 . . 1 . . . B 10 DC H4' . 18781 1
73 . 1 1 10 10 DC H5 H 1 5.65 . . 1 . . . B 10 DC H5 . 18781 1
74 . 1 1 10 10 DC H6 H 1 7.42 . . 1 . . . B 10 DC H6 . 18781 1
75 . 1 1 11 11 DG H1' H 1 6.06 . . 1 . . . B 11 DG H1' . 18781 1
76 . 1 1 11 11 DG H2' H 1 2.52 . . 1 . . . B 11 DG H2' . 18781 1
77 . 1 1 11 11 DG H2'' H 1 2.26 . . 1 . . . B 11 DG H2'' . 18781 1
78 . 1 1 11 11 DG H3' H 1 4.58 . . 1 . . . B 11 DG H3' . 18781 1
79 . 1 1 11 11 DG H4' H 1 4.07 . . 1 . . . B 11 DG H4' . 18781 1
80 . 1 1 11 11 DG H8 H 1 7.85 . . 1 . . . B 11 DG H8 . 18781 1
81 . 2 2 1 1 HP6 H201 H 1 3.55 . . 1 . . . B 1 HP6 H201 . 18781 1
82 . 2 2 1 1 HP6 H202 H 1 3.88 . . 1 . . . B 1 HP6 H202 . 18781 1
83 . 2 2 1 1 HP6 H211 H 1 1.23 . . 1 . . . B 1 HP6 H211 . 18781 1
84 . 2 2 1 1 HP6 H212 H 1 1.42 . . 1 . . . B 1 HP6 H212 . 18781 1
85 . 2 2 1 1 HP6 H221 H 1 1.09 . . 1 . . . B 1 HP6 H221 . 18781 1
86 . 2 2 1 1 HP6 H222 H 1 1.09 . . 1 . . . B 1 HP6 H222 . 18781 1
87 . 2 2 1 1 HP6 H231 H 1 1.01 . . 1 . . . B 1 HP6 H231 . 18781 1
88 . 2 2 1 1 HP6 H232 H 1 1.01 . . 1 . . . B 1 HP6 H232 . 18781 1
stop_
save_