###################################
# 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 bmse010183
_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.Error_derivation_method ?
_Assigned_chem_shift_list.Details ?
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '1D 1H' 1 $sample_1 bmse010183 1
2 '1D 13C' 1 $sample_1 bmse010183 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 ? ? bmse010183 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_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 C2 C 13 9.90 ? ? 1 ? ? ? ? ? AG ? bmse010183 1
2 ? ? 1 1 ? 1 C1 C 13 13.81 ? ? 1 ? ? ? ? ? BG ? bmse010183 1
3 ? ? 1 1 ? 1 C4 C 13 20.42 ? ? 1 ? ? ? ? ? A4AcMe ? bmse010183 1
4 ? ? 1 1 ? 1 C3 C 13 21.19 ? ? 1 ? ? ? ? ? AAAcMe ? bmse010183 1
5 ? ? 1 1 ? 1 C7 C 13 24.62 ? ? 1 ? ? ? ? ? BB ? bmse010183 1
6 ? ? 1 1 ? 1 C8 C 13 29.31 ? ? 1 ? ? ? ? ? AB ? bmse010183 1
7 ? ? 1 1 ? 1 C9 C 13 37.87 ? ? 1 ? ? ? ? ? BA ? bmse010183 1
8 ? ? 1 1 ? 1 C5 C 13 55.98 ? ? 1 ? ? ? ? ? BOMe ? bmse010183 1
9 ? ? 1 1 ? 1 C6 C 13 56.22 ? ? 1 ? ? ? ? ? AOMe ? bmse010183 1
10 ? ? 1 1 ? 1 C19 C 13 76.92 ? ? 1 ? ? ? ? ? AA ? bmse010183 1
11 ? ? 1 1 ? 1 C13 C 13 104.58 ? ? 1 ? ? ? ? ? A2 ? bmse010183 1
12 ? ? 1 1 ? 1 C14 C 13 108.53 ? ? 1 ? ? ? ? ? A6 ? bmse010183 1
13 ? ? 1 1 ? 1 C12 C 13 113.11 ? ? 1 ? ? ? ? ? B2 ? bmse010183 1
14 ? ? 1 1 ? 1 C10 C 13 120.49 ? ? 1 ? ? ? ? ? B6 ? bmse010183 1
15 ? ? 1 1 ? 1 C11 C 13 120.86 ? ? 1 ? ? ? ? ? B5 ? bmse010183 1
16 ? ? 1 1 ? 1 C24 C 13 129.59 ? ? 1 ? ? ? ? ? A4 ? bmse010183 1
17 ? ? 1 1 ? 1 C18 C 13 138.79 ? ? 1 ? ? ? ? ? A1 ? bmse010183 1
18 ? ? 1 1 ? 1 C17 C 13 139.73 ? ? 1 ? ? ? ? ? B1 ? bmse010183 1
19 ? ? 1 1 ? 1 C20 C 13 142.84 ? ? 1 ? ? ? ? ? B4 ? bmse010183 1
20 ? ? 1 1 ? 1 C23 C 13 150.39 ? ? 1 ? ? ? ? ? A5 ? bmse010183 1
21 ? ? 1 1 ? 1 C21 C 13 150.72 ? ? 1 ? ? ? ? ? B3 ? bmse010183 1
22 ? ? 1 1 ? 1 C22 C 13 152.46 ? ? 1 ? ? ? ? ? A3 ? bmse010183 1
23 ? ? 1 1 ? 1 C16 C 13 168.48 ? ? 1 ? ? ? ? ? A4AcC=O ? bmse010183 1
24 ? ? 1 1 ? 1 C15 C 13 170.26 ? ? 1 ? ? ? ? ? AAAcC=O ? bmse010183 1
25 ? ? 1 1 ? 1 H35 H 1 0.84 ? ? 1 ? ? ? ? ? AG ? bmse010183 1
26 ? ? 1 1 ? 1 H37 H 1 0.84 ? ? 1 ? ? ? ? ? AG ? bmse010183 1
27 ? ? 1 1 ? 1 H36 H 1 0.84 ? ? 1 ? ? ? ? ? AG ? bmse010183 1
28 ? ? 1 1 ? 1 H32 H 1 0.95 ? ? 1 ? ? ? ? ? BG ? bmse010183 1
29 ? ? 1 1 ? 1 H34 H 1 0.95 ? ? 1 ? ? ? ? ? BG ? bmse010183 1
30 ? ? 1 1 ? 1 H33 H 1 0.95 ? ? 1 ? ? ? ? ? BG ? bmse010183 1
31 ? ? 1 1 ? 1 H50 H 1 1.65 ? ? 1 ? ? ? ? ? BB ? bmse010183 1
32 ? ? 1 1 ? 1 H51 H 1 1.65 ? ? 1 ? ? ? ? ? BB ? bmse010183 1
33 ? ? 1 1 ? 1 H52 H 1 1.76 ? ? 1 ? ? ? ? ? AB ? bmse010183 1
34 ? ? 1 1 ? 1 H53 H 1 1.76 ? ? 1 ? ? ? ? ? AB ? bmse010183 1
35 ? ? 1 1 ? 1 H38 H 1 2.03 ? ? 1 ? ? ? ? ? AAAcMe ? bmse010183 1
36 ? ? 1 1 ? 1 H39 H 1 2.03 ? ? 1 ? ? ? ? ? AAAcMe ? bmse010183 1
37 ? ? 1 1 ? 1 H40 H 1 2.03 ? ? 1 ? ? ? ? ? AAAcMe ? bmse010183 1
38 ? ? 1 1 ? 1 H41 H 1 2.24 ? ? 1 ? ? ? ? ? A4AcMe ? bmse010183 1
39 ? ? 1 1 ? 1 H42 H 1 2.24 ? ? 1 ? ? ? ? ? A4AcMe ? bmse010183 1
40 ? ? 1 1 ? 1 H43 H 1 2.24 ? ? 1 ? ? ? ? ? A4AcMe ? bmse010183 1
41 ? ? 1 1 ? 1 H54 H 1 2.57 ? ? 1 ? ? ? ? ? BA ? bmse010183 1
42 ? ? 1 1 ? 1 H55 H 1 2.57 ? ? 1 ? ? ? ? ? BA ? bmse010183 1
43 ? ? 1 1 ? 1 H45 H 1 3.80 ? ? 1 ? ? ? ? ? BOMe ? bmse010183 1
44 ? ? 1 1 ? 1 H44 H 1 3.80 ? ? 1 ? ? ? ? ? BOMe ? bmse010183 1
45 ? ? 1 1 ? 1 H46 H 1 3.80 ? ? 1 ? ? ? ? ? BOMe ? bmse010183 1
46 ? ? 1 1 ? 1 H49 H 1 3.85 ? ? 1 ? ? ? ? ? AOMe ? bmse010183 1
47 ? ? 1 1 ? 1 H47 H 1 3.85 ? ? 1 ? ? ? ? ? AOMe ? bmse010183 1
48 ? ? 1 1 ? 1 H48 H 1 3.85 ? ? 1 ? ? ? ? ? AOMe ? bmse010183 1
49 ? ? 1 1 ? 1 H61 H 1 5.52 ? ? 1 ? ? ? ? ? AA ? bmse010183 1
50 ? ? 1 1 ? 1 H60 H 1 6.38 ? ? 1 ? ? ? ? ? A6 ? bmse010183 1
51 ? ? 1 1 ? 1 H59 H 1 6.63 ? ? 1 ? ? ? ? ? A2 ? bmse010183 1
52 ? ? 1 1 ? 1 H56 H 1 6.69 ? ? 1 ? ? ? ? ? B6 ? bmse010183 1
53 ? ? 1 1 ? 1 H58 H 1 6.78 ? ? 1 ? ? ? ? ? B2 ? bmse010183 1
54 ? ? 1 1 ? 1 H57 H 1 6.84 ? ? 1 ? ? ? ? ? B5 ? bmse010183 1
stop_
save_
###################################
# 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_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID bmse010183
_Assigned_chem_shift_list.ID 2
_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 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_Assigned_chem_shift_list.Error_derivation_method ?
_Assigned_chem_shift_list.Details ?
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
3 '1D 1H' 2 $sample_2 bmse010183 2
4 '1D 13C' 2 $sample_2 bmse010183 2
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 ? ? bmse010183 2
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_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 C2 C 13 10.12 ? ? 1 ? ? ? ? ? AG ? bmse010183 2
2 ? ? 1 1 ? 1 C1 C 13 14.00 ? ? 1 ? ? ? ? ? BG ? bmse010183 2
3 ? ? 1 1 ? 1 C4 C 13 20.22 ? ? 1 ? ? ? ? ? A4AcMe ? bmse010183 2
4 ? ? 1 1 ? 1 C3 C 13 20.94 ? ? 1 ? ? ? ? ? AAAcMe ? bmse010183 2
5 ? ? 1 1 ? 1 C7 C 13 25.36 ? ? 1 ? ? ? ? ? BB ? bmse010183 2
6 ? ? 1 1 ? 1 C8 C 13 30.11 ? ? 1 ? ? ? ? ? AB ? bmse010183 2
7 ? ? 1 1 ? 1 C9 C 13 38.36 ? ? 1 ? ? ? ? ? BA ? bmse010183 2
8 ? ? 1 1 ? 1 C5 C 13 56.18 ? ? 1 ? ? ? ? ? BOMe ? bmse010183 2
9 ? ? 1 1 ? 1 C6 C 13 56.56 ? ? 1 ? ? ? ? ? AOMe ? bmse010183 2
10 ? ? 1 1 ? 1 C19 C 13 77.23 ? ? 1 ? ? ? ? ? AA ? bmse010183 2
11 ? ? 1 1 ? 1 C13 C 13 104.97 ? ? 1 ? ? ? ? ? A2 ? bmse010183 2
12 ? ? 1 1 ? 1 C14 C 13 107.93 ? ? 1 ? ? ? ? ? A6 ? bmse010183 2
13 ? ? 1 1 ? 1 C12 C 13 114.36 ? ? 1 ? ? ? ? ? B2 ? bmse010183 2
14 ? ? 1 1 ? 1 C10 C 13 121.58 ? ? 1 ? ? ? ? ? B6 ? bmse010183 2
15 ? ? 1 1 ? 1 C11 C 13 121.73 ? ? 1 ? ? ? ? ? B5 ? bmse010183 2
16 ? ? 1 1 ? 1 C24 C 13 129.57 ? ? 1 ? ? ? ? ? A4 ? bmse010183 2
17 ? ? 1 1 ? 1 C18 C 13 140.24 ? ? 1 ? ? ? ? ? A1 ? bmse010183 2
18 ? ? 1 1 ? 1 C17 C 13 141.00 ? ? 1 ? ? ? ? ? B1 ? bmse010183 2
19 ? ? 1 1 ? 1 C20 C 13 143.37 ? ? 1 ? ? ? ? ? B4 ? bmse010183 2
20 ? ? 1 1 ? 1 C23 C 13 151.63 ? ? 1 ? ? ? ? ? A5 ? bmse010183 2
21 ? ? 1 1 ? 1 C21 C 13 152.15 ? ? 1 ? ? ? ? ? B3 ? bmse010183 2
22 ? ? 1 1 ? 1 C22 C 13 153.60 ? ? 1 ? ? ? ? ? A3 ? bmse010183 2
23 ? ? 1 1 ? 1 C16 C 13 168.46 ? ? 1 ? ? ? ? ? A4AcC=O ? bmse010183 2
24 ? ? 1 1 ? 1 C15 C 13 170.25 ? ? 1 ? ? ? ? ? AAAcC=O ? bmse010183 2
25 ? ? 1 1 ? 1 H35 H 1 0.82 ? ? 1 ? ? ? ? ? AG ? bmse010183 2
26 ? ? 1 1 ? 1 H37 H 1 0.82 ? ? 1 ? ? ? ? ? AG ? bmse010183 2
27 ? ? 1 1 ? 1 H36 H 1 0.82 ? ? 1 ? ? ? ? ? AG ? bmse010183 2
28 ? ? 1 1 ? 1 H32 H 1 0.93 ? ? 1 ? ? ? ? ? BG ? bmse010183 2
29 ? ? 1 1 ? 1 H34 H 1 0.93 ? ? 1 ? ? ? ? ? BG ? bmse010183 2
30 ? ? 1 1 ? 1 H33 H 1 0.93 ? ? 1 ? ? ? ? ? BG ? bmse010183 2
31 ? ? 1 1 ? 1 H50 H 1 1.64 ? ? 1 ? ? ? ? ? BB ? bmse010183 2
32 ? ? 1 1 ? 1 H51 H 1 1.64 ? ? 1 ? ? ? ? ? BB ? bmse010183 2
33 ? ? 1 1 ? 1 H52 H 1 1.73 ? ? 1 ? ? ? ? ? AB ? bmse010183 2
34 ? ? 1 1 ? 1 H53 H 1 1.73 ? ? 1 ? ? ? ? ? AB ? bmse010183 2
35 ? ? 1 1 ? 1 H38 H 1 1.96 ? ? 1 ? ? ? ? ? AAAcMe ? bmse010183 2
36 ? ? 1 1 ? 1 H39 H 1 1.96 ? ? 1 ? ? ? ? ? AAAcMe ? bmse010183 2
37 ? ? 1 1 ? 1 H40 H 1 1.96 ? ? 1 ? ? ? ? ? AAAcMe ? bmse010183 2
38 ? ? 1 1 ? 1 H41 H 1 2.18 ? ? 1 ? ? ? ? ? A4AcMe ? bmse010183 2
39 ? ? 1 1 ? 1 H42 H 1 2.18 ? ? 1 ? ? ? ? ? A4AcMe ? bmse010183 2
40 ? ? 1 1 ? 1 H43 H 1 2.18 ? ? 1 ? ? ? ? ? A4AcMe ? bmse010183 2
41 ? ? 1 1 ? 1 H54 H 1 2.58 ? ? 1 ? ? ? ? ? BA ? bmse010183 2
42 ? ? 1 1 ? 1 H55 H 1 2.58 ? ? 1 ? ? ? ? ? BA ? bmse010183 2
43 ? ? 1 1 ? 1 H45 H 1 3.76 ? ? 1 ? ? ? ? ? BOMe ? bmse010183 2
44 ? ? 1 1 ? 1 H44 H 1 3.76 ? ? 1 ? ? ? ? ? BOMe ? bmse010183 2
45 ? ? 1 1 ? 1 H46 H 1 3.76 ? ? 1 ? ? ? ? ? BOMe ? bmse010183 2
46 ? ? 1 1 ? 1 H49 H 1 3.84 ? ? 1 ? ? ? ? ? AOMe ? bmse010183 2
47 ? ? 1 1 ? 1 H47 H 1 3.84 ? ? 1 ? ? ? ? ? AOMe ? bmse010183 2
48 ? ? 1 1 ? 1 H48 H 1 3.84 ? ? 1 ? ? ? ? ? AOMe ? bmse010183 2
49 ? ? 1 1 ? 1 H61 H 1 5.48 ? ? 1 ? ? ? ? ? AA ? bmse010183 2
50 ? ? 1 1 ? 1 H60 H 1 6.32 ? ? 1 ? ? ? ? ? A6 ? bmse010183 2
51 ? ? 1 1 ? 1 H56 H 1 6.75 ? ? 1 ? ? ? ? ? B6 ? bmse010183 2
52 ? ? 1 1 ? 1 H59 H 1 6.77 ? ? 1 ? ? ? ? ? A2 ? bmse010183 2
53 ? ? 1 1 ? 1 H57 H 1 6.84 ? ? 1 ? ? ? ? ? B5 ? bmse010183 2
54 ? ? 1 1 ? 1 H58 H 1 6.96 ? ? 1 ? ? ? ? ? B2 ? bmse010183 2
stop_
save_
###################################
# 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_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID bmse010183
_Assigned_chem_shift_list.ID 3
_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 3
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3
_Assigned_chem_shift_list.Error_derivation_method ?
_Assigned_chem_shift_list.Details ?
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
5 '1D 13C' 3 $sample_3 bmse010183 3
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 ? ? bmse010183 3
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_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 C2 C 13 9.75 ? ? 1 ? ? ? ? ? AG ? bmse010183 3
2 ? ? 1 1 ? 1 C1 C 13 13.63 ? ? 1 ? ? ? ? ? BG ? bmse010183 3
3 ? ? 1 1 ? 1 C4 C 13 20.09 ? ? 1 ? ? ? ? ? A4AcMe ? bmse010183 3
4 ? ? 1 1 ? 1 C3 C 13 20.78 ? ? 1 ? ? ? ? ? AAAcMe ? bmse010183 3
5 ? ? 1 1 ? 1 C7 C 13 24.14 ? ? 1 ? ? ? ? ? BB ? bmse010183 3
6 ? ? 1 1 ? 1 C8 C 13 28.91 ? ? 1 ? ? ? ? ? AB ? bmse010183 3
7 ? ? 1 1 ? 1 C9 C 13 37.05 ? ? 1 ? ? ? ? ? BA ? bmse010183 3
8 ? ? 1 1 ? 1 C5 C 13 55.64 ? ? 1 ? ? ? ? ? BOMe ? bmse010183 3
9 ? ? 1 1 ? 1 C6 C 13 56.17 ? ? 1 ? ? ? ? ? AOMe ? bmse010183 3
10 ? ? 1 1 ? 1 C19 C 13 76.07 ? ? 1 ? ? ? ? ? AA ? bmse010183 3
11 ? ? 1 1 ? 1 C13 C 13 104.20 ? ? 1 ? ? ? ? ? A2 ? bmse010183 3
12 ? ? 1 1 ? 1 C14 C 13 106.52 ? ? 1 ? ? ? ? ? A6 ? bmse010183 3
13 ? ? 1 1 ? 1 C12 C 13 113.48 ? ? 1 ? ? ? ? ? B2 ? bmse010183 3
14 ? ? 1 1 ? 1 C10 C 13 120.55 ? ? 1 ? ? ? ? ? B6 ? bmse010183 3
15 ? ? 1 1 ? 1 C11 C 13 120.68 ? ? 1 ? ? ? ? ? B5 ? bmse010183 3
16 ? ? 1 1 ? 1 C24 C 13 128.30 ? ? 1 ? ? ? ? ? A4 ? bmse010183 3
17 ? ? 1 1 ? 1 C18 C 13 139.23 ? ? 1 ? ? ? ? ? A1 ? bmse010183 3
18 ? ? 1 1 ? 1 C17 C 13 139.90 ? ? 1 ? ? ? ? ? B1 ? bmse010183 3
19 ? ? 1 1 ? 1 C20 C 13 141.62 ? ? 1 ? ? ? ? ? B4 ? bmse010183 3
20 ? ? 1 1 ? 1 C23 C 13 150.02 ? ? 1 ? ? ? ? ? A5 ? bmse010183 3
21 ? ? 1 1 ? 1 C21 C 13 150.66 ? ? 1 ? ? ? ? ? B3 ? bmse010183 3
22 ? ? 1 1 ? 1 C22 C 13 152.18 ? ? 1 ? ? ? ? ? A3 ? bmse010183 3
23 ? ? 1 1 ? 1 C16 C 13 168.05 ? ? 1 ? ? ? ? ? A4AcC=O ? bmse010183 3
24 ? ? 1 1 ? 1 C15 C 13 169.76 ? ? 1 ? ? ? ? ? AAAcC=O ? bmse010183 3
stop_
save_