###################################
# 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 20121
_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-1H NOESY' 1 $sample_1 . 20121 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 T23 HA H 1 3.647 . . 1 . . . . 1 Mep HA . 20121 1
2 . 1 1 1 1 T23 HB1 H 1 2.106 . . 1 . . . . 1 Mep HB1 . 20121 1
3 . 1 1 1 1 T23 HB2 H 1 1.734 . . 1 . . . . 1 Mep HB2 . 20121 1
4 . 1 1 1 1 T23 HD1 H 1 1.695 . . 2 . . . . 1 Mep HD1 . 20121 1
5 . 1 1 1 1 T23 HE1 H 1 3.418 . . 1 . . . . 1 Mep HE1 . 20121 1
6 . 1 1 1 1 T23 HE2 H 1 2.936 . . 1 . . . . 1 Mep HE2 . 20121 1
7 . 1 1 1 1 T23 HG1 H 1 1.869 . . 1 . . . . 1 Mep HG1 . 20121 1
8 . 1 1 1 1 T23 HG2 H 1 1.503 . . 1 . . . . 1 Mep HG2 . 20121 1
9 . 1 1 1 1 T23 HZ1 H 1 2.620 . . 2 . . . . 1 Mep HZ1 . 20121 1
10 . 1 1 1 1 T23 HZ2 H 1 2.620 . . 2 . . . . 1 Mep HZ2 . 20121 1
11 . 1 1 1 1 T23 HZ3 H 1 2.620 . . 2 . . . . 1 Mep HZ3 . 20121 1
12 . 1 1 2 2 ILE HA H 1 4.577 . . 1 . . . . 2 Ile HA . 20121 1
13 . 1 1 2 2 ILE HB H 1 1.965 . . 1 . . . . 2 Ile HB . 20121 1
14 . 1 1 2 2 ILE HD11 H 1 0.848 . . 2 . . . . 1 Ile HD11 . 20121 1
15 . 1 1 2 2 ILE HD12 H 1 0.848 . . 2 . . . . 1 Ile HD12 . 20121 1
16 . 1 1 2 2 ILE HD13 H 1 0.848 . . 2 . . . . 1 Ile HD13 . 20121 1
17 . 1 1 2 2 ILE HG12 H 1 1.185 . . 1 . . . . 2 Ile HG12 . 20121 1
18 . 1 1 2 2 ILE HG13 H 1 1.167 . . 1 . . . . 2 Ile HG13 . 20121 1
19 . 1 1 2 2 ILE HG21 H 1 0.934 . . 2 . . . . 1 Ile HG21 . 20121 1
20 . 1 1 2 2 ILE HG22 H 1 0.934 . . 2 . . . . 1 Ile HG22 . 20121 1
21 . 1 1 2 2 ILE HG23 H 1 0.934 . . 2 . . . . 1 Ile HG23 . 20121 1
22 . 1 1 3 3 TUV HA H 1 4.343 . . 1 . . . . 3 Tuv HA . 20121 1
23 . 1 1 3 3 TUV HB H 1 1.853 . . 1 . . . . 3 Tuv HB . 20121 1
24 . 1 1 3 3 TUV HB2 H 1 8.069 . . 1 . . . . 3 Tuv HB2 . 20121 1
25 . 1 1 3 3 TUV HD11 H 1 5.337 . . 1 . . . . 3 Tuv HD11 . 20121 1
26 . 1 1 3 3 TUV HD12 H 1 6.130 . . 1 . . . . 3 Tuv HD12 . 20121 1
27 . 1 1 3 3 TUV HD21 H 1 2.686 . . 1 . . . . 3 Tuv HD21 . 20121 1
28 . 1 1 3 3 TUV HD22 H 1 2.603 . . 1 . . . . 3 Tuv HD22 . 20121 1
29 . 1 1 3 3 TUV HE2 H 1 5.823 . . 1 . . . . 3 Tuv HE2 . 20121 1
30 . 1 1 3 3 TUV HG11 H 1 0.709 . . 2 . . . . 3 Tuv HG11 . 20121 1
31 . 1 1 3 3 TUV HG12 H 1 0.709 . . 2 . . . . 3 Tuv HG12 . 20121 1
32 . 1 1 3 3 TUV HG13 H 1 0.709 . . 2 . . . . 3 Tuv HG13 . 20121 1
33 . 1 1 3 3 TUV HG21 H 1 1.027 . . 2 . . . . 3 Tuv HG21 . 20121 1
34 . 1 1 3 3 TUV HG22 H 1 1.027 . . 2 . . . . 3 Tuv HG22 . 20121 1
35 . 1 1 3 3 TUV HG23 H 1 1.027 . . 2 . . . . 3 Tuv HG23 . 20121 1
36 . 1 1 3 3 TUV HK11 H 1 2.089 . . 1 . . . . 3 Tuv HK11 . 20121 1
37 . 1 1 3 3 TUV HK12 H 1 2.006 . . 1 . . . . 3 Tuv HK12 . 20121 1
38 . 1 1 3 3 TUV HL1 H 1 1.732 . . 1 . . . . 3 Tuv HL1 . 20121 1
39 . 1 1 3 3 TUV HL21 H 1 2.168 . . 2 . . . . 3 Tuv HL21 . 20121 1
40 . 1 1 3 3 TUV HL22 H 1 2.168 . . 2 . . . . 3 Tuv HL22 . 20121 1
41 . 1 1 3 3 TUV HL23 H 1 2.168 . . 2 . . . . 3 Tuv HL23 . 20121 1
42 . 1 1 3 3 TUV HM1 H 1 0.682 . . 2 . . . . 3 Tuv HM1 . 20121 1
43 . 1 1 3 3 TUV HM2 H 1 0.682 . . 2 . . . . 3 Tuv HM2 . 20121 1
44 . 1 1 3 3 TUV HM3 H 1 0.682 . . 2 . . . . 3 Tuv HM3 . 20121 1
45 . 1 1 3 3 TUV HN1 H 1 0.715 . . 2 . . . . 3 Tuv HN1 . 20121 1
46 . 1 1 3 3 TUV HN2 H 1 0.715 . . 2 . . . . 3 Tuv HN2 . 20121 1
47 . 1 1 3 3 TUV HN3 H 1 0.715 . . 2 . . . . 3 Tuv HN3 . 20121 1
48 . 1 1 4 4 TUT HA H 1 4.149 . . 1 . . . . 4 Tut HA . 20121 1
49 . 1 1 4 4 TUT HB1 H 1 2.930 . . 1 . . . . 4 Tut HB1 . 20121 1
50 . 1 1 4 4 TUT HB2 H 1 2.687 . . 1 . . . . 4 Tut HB2 . 20121 1
51 . 1 1 4 4 TUT HE1 H 1 7.099 . . 3 . . . . 4 Tut HE1 . 20121 1
52 . 1 1 4 4 TUT HE2 H 1 6.720 . . 3 . . . . 4 Tut HE2 . 20121 1
53 . 1 1 4 4 TUT HI1 H 1 2.375 . . 1 . . . . 4 Tut HI1 . 20121 1
54 . 1 1 4 4 TUT HM1 H 1 1.082 . . 1 . . . . 4 Tut HM1 . 20121 1
55 . 1 1 4 4 TUT HQ1 H 1 1.588 . . 1 . . . . 4 Tut HQ1 . 20121 1
56 . 1 1 4 4 TUT HQ2 H 1 1.932 . . 1 . . . . 4 Tut HQ2 . 20121 1
stop_
save_