###################################
# 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 17921
_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 .
_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-15N HSQC' . . . 17921 1
2 '2D 1H-1H NOESY' . . . 17921 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 G H1 H 1 12.323 0.000 . 1 . . . . 2 G H1 . 17921 1
2 . 1 1 2 2 G N1 N 15 146.968 0.000 . 1 . . . . 2 G N1 . 17921 1
3 . 1 1 3 3 A H2 H 1 7.391 0.000 . 1 . . . . 3 A H2 . 17921 1
4 . 1 1 4 4 G H1 H 1 12.683 0.000 . 1 . . . . 4 G H1 . 17921 1
5 . 1 1 4 4 G N1 N 15 147.204 0.000 . 1 . . . . 4 G N1 . 17921 1
6 . 1 1 5 5 G H1 H 1 12.286 0.000 . 1 . . . . 5 G H1 . 17921 1
7 . 1 1 5 5 G N1 N 15 147.086 0.000 . 1 . . . . 5 G N1 . 17921 1
8 . 1 1 6 6 A H2 H 1 7.393 0.001 . 1 . . . . 6 A H2 . 17921 1
9 . 1 1 7 7 U H3 H 1 12.547 0.001 . 1 . . . . 7 U H3 . 17921 1
10 . 1 1 9 9 U H3 H 1 11.048 0.000 . 1 . . . . 9 U H3 . 17921 1
11 . 1 1 10 10 G H1 H 1 12.394 0.002 . 1 . . . . 10 G H1 . 17921 1
12 . 1 1 10 10 G N1 N 15 147.199 0.000 . 1 . . . . 10 G N1 . 17921 1
13 . 1 1 11 11 G H1 H 1 12.001 0.000 . 1 . . . . 11 G H1 . 17921 1
14 . 1 1 11 11 G N1 N 15 147.024 0.000 . 1 . . . . 11 G N1 . 17921 1
15 . 1 1 12 12 A H2 H 1 7.027 0.000 . 1 . . . . 12 A H2 . 17921 1
16 . 1 1 13 13 A H2 H 1 7.336 0.000 . 1 . . . . 13 A H2 . 17921 1
17 . 1 1 14 14 G H1 H 1 12.403 0.004 . 1 . . . . 14 G H1 . 17921 1
18 . 1 1 14 14 G N1 N 15 146.722 0.000 . 1 . . . . 14 G N1 . 17921 1
19 . 1 1 15 15 A H2 H 1 7.038 0.000 . 1 . . . . 15 A H2 . 17921 1
20 . 1 1 16 16 A H2 H 1 7.716 0.000 . 1 . . . . 16 A H2 . 17921 1
21 . 1 1 19 19 G H1 H 1 10.138 0.000 . 1 . . . . 19 G H1 . 17921 1
22 . 1 1 19 19 G N1 N 15 142.425 0.000 . 1 . . . . 19 G N1 . 17921 1
23 . 1 1 20 20 G H1 H 1 11.054 0.001 . 1 . . . . 20 G H1 . 17921 1
24 . 1 1 20 20 G N1 N 15 143.416 0.000 . 1 . . . . 20 G N1 . 17921 1
25 . 1 1 21 21 G H1 H 1 13.137 0.000 . 1 . . . . 21 G H1 . 17921 1
26 . 1 1 21 21 G H21 H 1 9.048 0.005 . 2 . . . . 21 G H21 . 17921 1
27 . 1 1 21 21 G H22 H 1 8.524 0.001 . 2 . . . . 21 G H22 . 17921 1
28 . 1 1 21 21 G N1 N 15 147.610 0.000 . 1 . . . . 21 G N1 . 17921 1
29 . 1 1 22 22 G H1 H 1 10.810 0.001 . 1 . . . . 22 G H1 . 17921 1
30 . 1 1 22 22 G N1 N 15 145.946 0.000 . 1 . . . . 22 G N1 . 17921 1
31 . 1 1 27 27 U H3 H 1 11.784 0.000 . 1 . . . . 27 U H3 . 17921 1
32 . 1 1 27 27 U N3 N 15 157.764 0.000 . 1 . . . . 27 U N3 . 17921 1
33 . 1 1 28 28 U H3 H 1 11.971 0.002 . 1 . . . . 28 U H3 . 17921 1
34 . 1 1 28 28 U N3 N 15 158.591 0.000 . 1 . . . . 28 U N3 . 17921 1
35 . 1 1 29 29 G H1 H 1 12.266 0.000 . 1 . . . . 29 G H1 . 17921 1
36 . 1 1 29 29 G N1 N 15 147.083 0.000 . 1 . . . . 29 G N1 . 17921 1
37 . 1 1 30 30 G H1 H 1 13.249 0.000 . 1 . . . . 30 G H1 . 17921 1
38 . 1 1 30 30 G N1 N 15 148.255 0.000 . 1 . . . . 30 G N1 . 17921 1
39 . 1 1 31 31 U H3 H 1 14.314 0.001 . 1 . . . . 31 U H3 . 17921 1
40 . 1 1 31 31 U N3 N 15 162.458 0.000 . 1 . . . . 31 U N3 . 17921 1
41 . 1 1 32 32 U H3 H 1 13.787 0.001 . 1 . . . . 32 U H3 . 17921 1
42 . 1 1 32 32 U N3 N 15 162.179 0.000 . 1 . . . . 32 U N3 . 17921 1
43 . 1 1 34 34 U H3 H 1 13.785 0.000 . 1 . . . . 34 U H3 . 17921 1
44 . 1 1 34 34 U N3 N 15 162.990 0.000 . 1 . . . . 34 U N3 . 17921 1
45 . 1 1 35 35 U H3 H 1 13.730 0.000 . 1 . . . . 35 U H3 . 17921 1
46 . 1 1 35 35 U N3 N 15 162.986 0.000 . 1 . . . . 35 U N3 . 17921 1
47 . 1 1 38 38 U H3 H 1 11.046 0.000 . 1 . . . . 38 U H3 . 17921 1
48 . 1 1 38 38 U N3 N 15 157.251 0.000 . 1 . . . . 38 U N3 . 17921 1
49 . 1 1 41 41 G H1 H 1 12.129 0.000 . 1 . . . . 41 G H1 . 17921 1
50 . 1 1 41 41 G N1 N 15 147.048 0.000 . 1 . . . . 41 G N1 . 17921 1
51 . 1 1 42 42 U H3 H 1 13.959 0.004 . 1 . . . . 42 U H3 . 17921 1
52 . 1 1 42 42 U N3 N 15 162.751 0.000 . 1 . . . . 42 U N3 . 17921 1
53 . 1 1 45 45 U H3 H 1 13.966 0.000 . 1 . . . . 45 U H3 . 17921 1
54 . 1 1 45 45 U N3 N 15 162.656 0.000 . 1 . . . . 45 U N3 . 17921 1
stop_
save_