###################################
# 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 50036
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 1H-15N HMQC' . . . 50036 1
2 '2D 1H-1H NOESY' . . . 50036 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50036 1
2 $software_2 . . 50036 1
3 $software_3 . . 50036 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 13.174 0.000 . 1 . . . . . 2 G H1 . 50036 1
2 . 1 . 1 2 2 G N1 N 15 148.580 0.000 . 1 . . . . . 2 G N1 . 50036 1
3 . 1 . 1 3 3 G H1 H 1 11.690 0.000 . 1 . . . . . 3 G H1 . 50036 1
4 . 1 . 1 3 3 G N1 N 15 145.569 0.000 . 1 . . . . . 3 G N1 . 50036 1
5 . 1 . 1 7 7 U H3 H 1 13.424 0.000 . 1 . . . . . 7 U H3 . 50036 1
6 . 1 . 1 7 7 U N3 N 15 161.739 0.000 . 1 . . . . . 7 U N3 . 50036 1
7 . 1 . 1 9 9 U H3 H 1 11.803 0.000 . 1 . . . . . 9 U H3 . 50036 1
8 . 1 . 1 9 9 U N3 N 15 158.947 0.000 . 1 . . . . . 9 U N3 . 50036 1
9 . 1 . 1 10 10 G H1 H 1 11.271 0.000 . 1 . . . . . 10 G H1 . 50036 1
10 . 1 . 1 10 10 G N1 N 15 143.856 0.000 . 1 . . . . . 10 G N1 . 50036 1
11 . 1 . 1 11 11 U H3 H 1 12.430 0.000 . 1 . . . . . 11 U H3 . 50036 1
12 . 1 . 1 11 11 U N3 N 15 159.442 0.000 . 1 . . . . . 11 U N3 . 50036 1
13 . 1 . 1 14 14 U H3 H 1 12.044 0.000 . 1 . . . . . 14 U H3 . 50036 1
14 . 1 . 1 14 14 U N3 N 15 160.246 0.000 . 1 . . . . . 14 U N3 . 50036 1
15 . 1 . 1 17 17 G H1 H 1 10.117 0.000 . 1 . . . . . 17 G H1 . 50036 1
16 . 1 . 1 17 17 G N1 N 15 143.574 0.000 . 1 . . . . . 17 G N1 . 50036 1
17 . 1 . 1 18 18 G H1 H 1 13.134 0.000 . 1 . . . . . 18 G H1 . 50036 1
18 . 1 . 1 18 18 G N1 N 15 147.712 0.000 . 1 . . . . . 18 G N1 . 50036 1
19 . 1 . 1 19 19 G H1 H 1 12.896 0.000 . 1 . . . . . 19 G H1 . 50036 1
20 . 1 . 1 19 19 G N1 N 15 148.775 0.000 . 1 . . . . . 19 G N1 . 50036 1
21 . 1 . 1 20 20 G H1 H 1 11.591 0.000 . 1 . . . . . 20 G H1 . 50036 1
22 . 1 . 1 20 20 G N1 N 15 145.356 0.000 . 1 . . . . . 20 G N1 . 50036 1
23 . 1 . 1 21 21 U H3 H 1 12.417 0.000 . 1 . . . . . 21 U H3 . 50036 1
24 . 1 . 1 21 21 U N3 N 15 160.158 0.000 . 1 . . . . . 21 U N3 . 50036 1
25 . 1 . 1 22 22 G H1 H 1 11.258 0.000 . 1 . . . . . 22 G H1 . 50036 1
26 . 1 . 1 22 22 G N1 N 15 143.802 0.000 . 1 . . . . . 22 G N1 . 50036 1
27 . 1 . 1 23 23 U H3 H 1 13.779 0.000 . 1 . . . . . 23 U H3 . 50036 1
28 . 1 . 1 23 23 U N3 N 15 162.556 0.000 . 1 . . . . . 23 U N3 . 50036 1
29 . 1 . 1 25 25 U H3 H 1 14.219 0.000 . 1 . . . . . 25 U H3 . 50036 1
30 . 1 . 1 25 25 U N3 N 15 162.419 0.000 . 1 . . . . . 25 U N3 . 50036 1
31 . 1 . 1 26 26 U H3 H 1 13.475 0.000 . 1 . . . . . 26 U H3 . 50036 1
32 . 1 . 1 26 26 U N3 N 15 162.710 0.000 . 1 . . . . . 26 U N3 . 50036 1
33 . 1 . 1 27 27 G H1 H 1 12.838 0.000 . 1 . . . . . 27 G H1 . 50036 1
34 . 1 . 1 27 27 G N1 N 15 147.769 0.000 . 1 . . . . . 27 G N1 . 50036 1
35 . 1 . 1 28 28 U H3 H 1 12.379 0.000 . 1 . . . . . 28 U H3 . 50036 1
36 . 1 . 1 28 28 U N3 N 15 159.285 0.000 . 1 . . . . . 28 U N3 . 50036 1
stop_
save_