###################################
# 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5614
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_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 . 5614 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 G H1 H 1 12.8 . . 1 . . . . . . . . 5614 1
2 . 1 1 1 1 G H5'' H 1 3.99 . . 9 . . . . . . . . 5614 1
3 . 1 1 1 1 G H5' H 1 4.11 . . 9 . . . . . . . . 5614 1
4 . 1 1 1 1 G H4' H 1 4.47 . . 1 . . . . . . . . 5614 1
5 . 1 1 1 1 G H3' H 1 4.6 . . 1 . . . . . . . . 5614 1
6 . 1 1 1 1 G H2' H 1 4.95 . . 1 . . . . . . . . 5614 1
7 . 1 1 1 1 G H1' H 1 5.89 . . 1 . . . . . . . . 5614 1
8 . 1 1 1 1 G H8 H 1 8.09 . . 1 . . . . . . . . 5614 1
9 . 1 1 2 2 G H1 H 1 13.1 . . 1 . . . . . . . . 5614 1
10 . 1 1 2 2 G P P 31 -1.06 . . 1 . . . . . . . . 5614 1
11 . 1 1 2 2 G H5'' H 1 4.19 . . 9 . . . . . . . . 5614 1
12 . 1 1 2 2 G H5' H 1 4.59 . . 9 . . . . . . . . 5614 1
13 . 1 1 2 2 G H4' H 1 4.55 . . 1 . . . . . . . . 5614 1
14 . 1 1 2 2 G H3' H 1 4.6 . . 1 . . . . . . . . 5614 1
15 . 1 1 2 2 G H2' H 1 4.61 . . 1 . . . . . . . . 5614 1
16 . 1 1 2 2 G H1' H 1 5.9 . . 1 . . . . . . . . 5614 1
17 . 1 1 2 2 G H8 H 1 7.52 . . 1 . . . . . . . . 5614 1
18 . 1 1 3 3 C H42 H 1 6.9 . . 1 . . . . . . . . 5614 1
19 . 1 1 3 3 C H41 H 1 8.4 . . 1 . . . . . . . . 5614 1
20 . 1 1 3 3 C P P 31 -1.11 . . 1 . . . . . . . . 5614 1
21 . 1 1 3 3 C H5'' H 1 4.14 . . 9 . . . . . . . . 5614 1
22 . 1 1 3 3 C H5' H 1 4.56 . . 9 . . . . . . . . 5614 1
23 . 1 1 3 3 C H4' H 1 4.46 . . 1 . . . . . . . . 5614 1
24 . 1 1 3 3 C H3' H 1 4.45 . . 1 . . . . . . . . 5614 1
25 . 1 1 3 3 C H2' H 1 4.64 . . 1 . . . . . . . . 5614 1
26 . 1 1 3 3 C H1' H 1 5.5 . . 1 . . . . . . . . 5614 1
27 . 1 1 3 3 C H5 H 1 5.12 . . 1 . . . . . . . . 5614 1
28 . 1 1 3 3 C H6 H 1 7.42 . . 1 . . . . . . . . 5614 1
29 . 1 1 4 4 A P P 31 -0.97 . . 1 . . . . . . . . 5614 1
30 . 1 1 4 4 A H5'' H 1 4.26 . . 9 . . . . . . . . 5614 1
31 . 1 1 4 4 A H5' H 1 4.55 . . 9 . . . . . . . . 5614 1
32 . 1 1 4 4 A H4' H 1 4.89 . . 1 . . . . . . . . 5614 1
33 . 1 1 4 4 A H3' H 1 4.88 . . 1 . . . . . . . . 5614 1
34 . 1 1 4 4 A H2' H 1 4.59 . . 1 . . . . . . . . 5614 1
35 . 1 1 4 4 A H1' H 1 5.97 . . 1 . . . . . . . . 5614 1
36 . 1 1 4 4 A H2 H 1 8.19 . . 1 . . . . . . . . 5614 1
37 . 1 1 4 4 A H8 H 1 8.19 . . 1 . . . . . . . . 5614 1
38 . 1 1 5 5 A P P 31 -0.99 . . 1 . . . . . . . . 5614 1
39 . 1 1 5 5 A H5'' H 1 4.02 . . 9 . . . . . . . . 5614 1
40 . 1 1 5 5 A H5' H 1 4.35 . . 9 . . . . . . . . 5614 1
41 . 1 1 5 5 A H4' H 1 4.48 . . 1 . . . . . . . . 5614 1
42 . 1 1 5 5 A H3' H 1 4.47 . . 1 . . . . . . . . 5614 1
43 . 1 1 5 5 A H2' H 1 4.85 . . 1 . . . . . . . . 5614 1
44 . 1 1 5 5 A H1' H 1 5.89 . . 1 . . . . . . . . 5614 1
45 . 1 1 5 5 A H2 H 1 7.88 . . 1 . . . . . . . . 5614 1
46 . 1 1 5 5 A H8 H 1 7.82 . . 1 . . . . . . . . 5614 1
47 . 1 1 6 6 G H1 H 1 12.8 . . 1 . . . . . . . . 5614 1
48 . 1 1 6 6 G P P 31 -1.06 . . 1 . . . . . . . . 5614 1
49 . 1 1 6 6 G H5'' H 1 3.97 . . 9 . . . . . . . . 5614 1
50 . 1 1 6 6 G H5' H 1 4.11 . . 9 . . . . . . . . 5614 1
51 . 1 1 6 6 G H4' H 1 4.29 . . 1 . . . . . . . . 5614 1
52 . 1 1 6 6 G H3' H 1 4.36 . . 1 . . . . . . . . 5614 1
53 . 1 1 6 6 G H2' H 1 4.24 . . 1 . . . . . . . . 5614 1
54 . 1 1 6 6 G H1' H 1 4.45 . . 1 . . . . . . . . 5614 1
55 . 1 1 6 6 G H8 H 1 7.45 . . 1 . . . . . . . . 5614 1
56 . 1 1 7 7 C H42 H 1 6.8 . . 1 . . . . . . . . 5614 1
57 . 1 1 7 7 C H41 H 1 8.5 . . 1 . . . . . . . . 5614 1
58 . 1 1 7 7 C P P 31 -1.7 . . 1 . . . . . . . . 5614 1
59 . 1 1 7 7 C H5'' H 1 4.03 . . 9 . . . . . . . . 5614 1
60 . 1 1 7 7 C H5' H 1 4.47 . . 9 . . . . . . . . 5614 1
61 . 1 1 7 7 C H4' H 1 4.11 . . 1 . . . . . . . . 5614 1
62 . 1 1 7 7 C H3' H 1 4.38 . . 1 . . . . . . . . 5614 1
63 . 1 1 7 7 C H2' H 1 4.33 . . 1 . . . . . . . . 5614 1
64 . 1 1 7 7 C H1' H 1 5.47 . . 1 . . . . . . . . 5614 1
65 . 1 1 7 7 C H5 H 1 5.15 . . 1 . . . . . . . . 5614 1
66 . 1 1 7 7 C H6 H 1 7.58 . . 1 . . . . . . . . 5614 1
67 . 1 1 8 8 C H42 H 1 6.9 . . 1 . . . . . . . . 5614 1
68 . 1 1 8 8 C H41 H 1 7.9 . . 1 . . . . . . . . 5614 1
69 . 1 1 8 8 C P P 31 -1.36 . . 1 . . . . . . . . 5614 1
70 . 1 1 8 8 C H5' H 1 4.27 . . 9 . . . . . . . . 5614 1
71 . 1 1 8 8 C H4' H 1 4.57 . . 1 . . . . . . . . 5614 1
72 . 1 1 8 8 C H3' H 1 4.33 . . 1 . . . . . . . . 5614 1
73 . 1 1 8 8 C H2' H 1 4.35 . . 1 . . . . . . . . 5614 1
74 . 1 1 8 8 C H1' H 1 5.57 . . 1 . . . . . . . . 5614 1
75 . 1 1 8 8 C H5 H 1 5.42 . . 1 . . . . . . . . 5614 1
76 . 1 1 8 8 C H6 H 1 7.63 . . 1 . . . . . . . . 5614 1
77 . 1 1 9 9 U P P 31 -1.18 . . 1 . . . . . . . . 5614 1
78 . 1 1 9 9 U H5'' H 1 3.99 . . 9 . . . . . . . . 5614 1
79 . 1 1 9 9 U H5' H 1 4.33 . . 9 . . . . . . . . 5614 1
80 . 1 1 9 9 U H4' H 1 4.16 . . 1 . . . . . . . . 5614 1
81 . 1 1 9 9 U H3' H 1 4.15 . . 1 . . . . . . . . 5614 1
82 . 1 1 9 9 U H2' H 1 3.95 . . 1 . . . . . . . . 5614 1
83 . 1 1 9 9 U H1' H 1 5.67 . . 1 . . . . . . . . 5614 1
84 . 1 1 9 9 U H5 H 1 5.55 . . 1 . . . . . . . . 5614 1
85 . 1 1 9 9 U H6 H 1 7.73 . . 1 . . . . . . . . 5614 1
stop_
save_