###################################
# 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_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36020
_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_1
_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 '2D NOESY' 1 $sample_1 isotropic 36020 1
2 '2D DQF-COSY' 1 $sample_1 isotropic 36020 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 6.08 0.01 . 1 . . . A 1 DC H1' . 36020 1
2 . 1 1 1 1 DC H2' H 1 1.96 0.01 . . . . . A 1 DC H2' . 36020 1
3 . 1 1 1 1 DC H2'' H 1 2.38 0.01 . . . . . A 1 DC H2'' . 36020 1
4 . 1 1 1 1 DC H3' H 1 4.75 0.01 . 1 . . . A 1 DC H3' . 36020 1
5 . 1 1 1 1 DC H4' H 1 4.31 0.01 . 1 . . . A 1 DC H4' . 36020 1
6 . 1 1 1 1 DC H5 H 1 5.50 0.01 . 1 . . . A 1 DC H5 . 36020 1
7 . 1 1 1 1 DC H5' H 1 3.88 0.01 . . . . . A 1 DC H5' . 36020 1
8 . 1 1 1 1 DC H5'' H 1 3.88 0.01 . . . . . A 1 DC H5'' . 36020 1
9 . 1 1 1 1 DC H6 H 1 7.57 0.01 . 1 . . . A 1 DC H6 . 36020 1
10 . 1 1 1 1 DC H41 H 1 8.27 0.01 . . . . . A 1 DC H41 . 36020 1
11 . 1 1 1 1 DC H42 H 1 6.77 0.01 . . . . . A 1 DC H42 . 36020 1
12 . 1 1 2 2 DC H1' H 1 6.43 0.01 . 1 . . . A 2 DC H1' . 36020 1
13 . 1 1 2 2 DC H2' H 1 2.13 0.01 . . . . . A 2 DC H2' . 36020 1
14 . 1 1 2 2 DC H2'' H 1 2.53 0.01 . . . . . A 2 DC H2'' . 36020 1
15 . 1 1 2 2 DC H3' H 1 4.83 0.01 . 1 . . . A 2 DC H3' . 36020 1
16 . 1 1 2 2 DC H4' H 1 4.45 0.01 . 1 . . . A 2 DC H4' . 36020 1
17 . 1 1 2 2 DC H5 H 1 6.19 0.01 . 1 . . . A 2 DC H5 . 36020 1
18 . 1 1 2 2 DC H5' H 1 4.25 0.01 . . . . . A 2 DC H5' . 36020 1
19 . 1 1 2 2 DC H5'' H 1 4.08 0.01 . . . . . A 2 DC H5'' . 36020 1
20 . 1 1 2 2 DC H6 H 1 8.14 0.01 . 1 . . . A 2 DC H6 . 36020 1
21 . 1 1 3 3 DT H1' H 1 5.47 0.01 . 1 . . . A 3 DT H1' . 36020 1
22 . 1 1 3 3 DT H2' H 1 1.83 0.01 . . . . . A 3 DT H2' . 36020 1
23 . 1 1 3 3 DT H2'' H 1 2.15 0.01 . . . . . A 3 DT H2'' . 36020 1
24 . 1 1 3 3 DT H3 H 1 11.0 0.02 . 1 . . . A 3 DT H3 . 36020 1
25 . 1 1 3 3 DT H3' H 1 4.69 0.01 . 1 . . . A 3 DT H3' . 36020 1
26 . 1 1 3 3 DT H4' H 1 4.13 0.01 . 1 . . . A 3 DT H4' . 36020 1
27 . 1 1 3 3 DT H5' H 1 3.93 0.01 . . . . . A 3 DT H5' . 36020 1
28 . 1 1 3 3 DT H5'' H 1 4.06 0.01 . . . . . A 3 DT H5'' . 36020 1
29 . 1 1 3 3 DT H6 H 1 7.64 0.01 . 1 . . . A 3 DT H6 . 36020 1
30 . 1 1 3 3 DT H71 H 1 1.38 0.01 . 1 . . . A 3 DT H71 . 36020 1
31 . 1 1 3 3 DT H72 H 1 1.38 0.01 . 1 . . . A 3 DT H72 . 36020 1
32 . 1 1 3 3 DT H73 H 1 1.38 0.01 . 1 . . . A 3 DT H73 . 36020 1
33 . 1 1 4 4 DG H1 H 1 13.2 0.01 . 1 . . . A 4 DG H1 . 36020 1
34 . 1 1 4 4 DG H1' H 1 6.04 0.01 . 1 . . . A 4 DG H1' . 36020 1
35 . 1 1 4 4 DG H2' H 1 2.79 0.01 . . . . . A 4 DG H2' . 36020 1
36 . 1 1 4 4 DG H2'' H 1 2.98 0.01 . . . . . A 4 DG H2'' . 36020 1
37 . 1 1 4 4 DG H3' H 1 4.86 0.01 . 1 . . . A 4 DG H3' . 36020 1
38 . 1 1 4 4 DG H4' H 1 4.39 0.01 . 1 . . . A 4 DG H4' . 36020 1
39 . 1 1 4 4 DG H5' H 1 4.01 0.01 . . . . . A 4 DG H5' . 36020 1
40 . 1 1 4 4 DG H5'' H 1 3.79 0.01 . . . . . A 4 DG H5'' . 36020 1
41 . 1 1 4 4 DG H8 H 1 7.93 0.01 . 1 . . . A 4 DG H8 . 36020 1
42 . 1 1 5 5 DC H1' H 1 6.10 0.01 . 1 . . . A 5 DC H1' . 36020 1
43 . 1 1 5 5 DC H2' H 1 1.96 0.01 . . . . . A 5 DC H2' . 36020 1
44 . 1 1 5 5 DC H2'' H 1 2.35 0.01 . . . . . A 5 DC H2'' . 36020 1
45 . 1 1 5 5 DC H3' H 1 4.64 0.01 . 1 . . . A 5 DC H3' . 36020 1
46 . 1 1 5 5 DC H4' H 1 4.48 0.01 . 1 . . . A 5 DC H4' . 36020 1
47 . 1 1 5 5 DC H5 H 1 5.40 0.01 . 1 . . . A 5 DC H5 . 36020 1
48 . 1 1 5 5 DC H5' H 1 4.03 0.01 . . . . . A 5 DC H5' . 36020 1
49 . 1 1 5 5 DC H5'' H 1 4.32 0.01 . . . . . A 5 DC H5'' . 36020 1
50 . 1 1 5 5 DC H6 H 1 7.48 0.01 . 1 . . . A 5 DC H6 . 36020 1
51 . 1 1 5 5 DC H41 H 1 8.27 0.01 . . . . . A 5 DC H41 . 36020 1
52 . 1 1 5 5 DC H42 H 1 6.82 0.01 . . . . . A 5 DC H42 . 36020 1
53 . 1 1 6 6 DC H1' H 1 6.44 0.01 . 1 . . . A 6 DC H1' . 36020 1
54 . 1 1 6 6 DC H2' H 1 2.13 0.01 . . . . . A 6 DC H2' . 36020 1
55 . 1 1 6 6 DC H2'' H 1 2.56 0.01 . . . . . A 6 DC H2'' . 36020 1
56 . 1 1 6 6 DC H3' H 1 4.84 0.01 . 1 . . . A 6 DC H3' . 36020 1
57 . 1 1 6 6 DC H4' H 1 4.46 0.01 . 1 . . . A 6 DC H4' . 36020 1
58 . 1 1 6 6 DC H5 H 1 6.26 0.01 . 1 . . . A 6 DC H5 . 36020 1
59 . 1 1 6 6 DC H5' H 1 4.29 0.01 . . . . . A 6 DC H5' . 36020 1
60 . 1 1 6 6 DC H5'' H 1 4.08 0.01 . . . . . A 6 DC H5'' . 36020 1
61 . 1 1 6 6 DC H6 H 1 8.20 0.01 . 1 . . . A 6 DC H6 . 36020 1
62 . 1 1 7 7 DT H1' H 1 5.65 0.01 . 1 . . . A 7 DT H1' . 36020 1
63 . 1 1 7 7 DT H2' H 1 1.89 0.01 . . . . . A 7 DT H2' . 36020 1
64 . 1 1 7 7 DT H2'' H 1 2.16 0.01 . . . . . A 7 DT H2'' . 36020 1
65 . 1 1 7 7 DT H3 H 1 11.0 0.02 . 1 . . . A 7 DT H3 . 36020 1
66 . 1 1 7 7 DT H3' H 1 4.70 0.01 . 1 . . . A 7 DT H3' . 36020 1
67 . 1 1 7 7 DT H4' H 1 4.09 0.01 . 1 . . . A 7 DT H4' . 36020 1
68 . 1 1 7 7 DT H5' H 1 3.99 0.01 . . . . . A 7 DT H5' . 36020 1
69 . 1 1 7 7 DT H5'' H 1 3.91 0.01 . . . . . A 7 DT H5'' . 36020 1
70 . 1 1 7 7 DT H6 H 1 7.70 0.01 . 1 . . . A 7 DT H6 . 36020 1
71 . 1 1 7 7 DT H71 H 1 1.40 0.01 . 1 . . . A 7 DT H71 . 36020 1
72 . 1 1 7 7 DT H72 H 1 1.40 0.01 . 1 . . . A 7 DT H72 . 36020 1
73 . 1 1 7 7 DT H73 H 1 1.40 0.01 . 1 . . . A 7 DT H73 . 36020 1
74 . 1 1 8 8 DG H1 H 1 13.2 0.01 . 1 . . . A 8 DG H1 . 36020 1
75 . 1 1 8 8 DG H1' H 1 5.99 0.01 . 1 . . . A 8 DG H1' . 36020 1
76 . 1 1 8 8 DG H2' H 1 2.92 0.01 . . . . . A 8 DG H2' . 36020 1
77 . 1 1 8 8 DG H2'' H 1 2.66 0.01 . . . . . A 8 DG H2'' . 36020 1
78 . 1 1 8 8 DG H3' H 1 4.70 0.01 . 1 . . . A 8 DG H3' . 36020 1
79 . 1 1 8 8 DG H4' H 1 4.13 0.01 . 1 . . . A 8 DG H4' . 36020 1
80 . 1 1 8 8 DG H5' H 1 4.01 0.01 . . . . . A 8 DG H5' . 36020 1
81 . 1 1 8 8 DG H5'' H 1 3.57 0.01 . . . . . A 8 DG H5'' . 36020 1
82 . 1 1 8 8 DG H8 H 1 7.82 0.01 . 1 . . . A 8 DG H8 . 36020 1
stop_
save_