###################################
# 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 20091
_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' . . . 20091 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 PHE H H 1 8.490 0.013 . 1 . . . . 1 PHE H . 20091 1
2 . 1 1 1 1 PHE HA H 1 4.480 0.013 . 1 . . . . 1 PHE HA . 20091 1
3 . 1 1 1 1 PHE HB2 H 1 3.661 0.013 . 2 . . . . 1 PHE HB2 . 20091 1
4 . 1 1 1 1 PHE HB3 H 1 3.532 0.013 . 2 . . . . 1 PHE HB3 . 20091 1
5 . 1 1 2 2 LYS H H 1 8.431 0.013 . 1 . . . . 2 LYS H . 20091 1
6 . 1 1 2 2 LYS HA H 1 3.622 0.013 . 1 . . . . 2 LYS HA . 20091 1
7 . 1 1 2 2 LYS HB2 H 1 1.821 0.013 . 2 . . . . 2 LYS HB2 . 20091 1
8 . 1 1 2 2 LYS HB3 H 1 1.718 0.013 . 2 . . . . 2 LYS HB3 . 20091 1
9 . 1 1 2 2 LYS HD2 H 1 1.622 0.013 . 2 . . . . 2 LYS HD2 . 20091 1
10 . 1 1 2 2 LYS HD3 H 1 1.488 0.013 . 2 . . . . 2 LYS HD3 . 20091 1
11 . 1 1 2 2 LYS HE2 H 1 3.384 0.013 . 1 . . . . 2 LYS HE2 . 20091 1
12 . 1 1 2 2 LYS HG2 H 1 1.148 0.013 . 2 . . . . 2 LYS HG2 . 20091 1
13 . 1 1 2 2 LYS HG3 H 1 1.148 0.013 . 2 . . . . 2 LYS HG3 . 20091 1
14 . 1 1 2 2 LYS HZ1 H 1 3.757 0.013 . 1 . . . . 2 LYS QZ . 20091 1
15 . 1 1 2 2 LYS HZ2 H 1 3.757 0.013 . 1 . . . . 2 LYS QZ . 20091 1
16 . 1 1 2 2 LYS HZ3 H 1 3.757 0.013 . 1 . . . . 2 LYS QZ . 20091 1
17 . 1 1 3 3 ASP H H 1 8.129 0.013 . 1 . . . . 3 ASP H . 20091 1
18 . 1 1 3 3 ASP HA H 1 4.347 0.013 . 1 . . . . 3 ASP HA . 20091 1
19 . 1 1 3 3 ASP HB2 H 1 2.770 0.013 . 2 . . . . 3 ASP HB2 . 20091 1
20 . 1 1 3 3 ASP HB3 H 1 2.719 0.013 . 2 . . . . 3 ASP HB3 . 20091 1
21 . 1 1 4 4 GLU H H 1 7.624 0.013 . 1 . . . . 4 GLU H . 20091 1
22 . 1 1 4 4 GLU HA H 1 4.001 0.013 . 1 . . . . 4 GLU HA . 20091 1
23 . 1 1 4 4 GLU HB2 H 1 2.436 0.013 . 2 . . . . 4 GLU HB2 . 20091 1
24 . 1 1 4 4 GLU HB3 H 1 2.340 0.013 . 2 . . . . 4 GLU HB3 . 20091 1
25 . 1 1 4 4 GLU HG2 H 1 1.962 0.013 . 2 . . . . 4 GLU HG2 . 20091 1
26 . 1 1 4 4 GLU HG3 H 1 1.924 0.013 . 2 . . . . 4 GLU HG3 . 20091 1
27 . 1 1 5 5 PHE H H 1 8.513 0.013 . 1 . . . . 5 PHE H . 20091 1
28 . 1 1 5 5 PHE HA H 1 3.918 0.013 . 1 . . . . 5 PHE HA . 20091 1
29 . 1 1 5 5 PHE HB2 H 1 2.360 0.013 . 2 . . . . 5 PHE HB2 . 20091 1
30 . 1 1 5 5 PHE HB3 H 1 2.148 0.013 . 2 . . . . 5 PHE HB3 . 20091 1
31 . 1 1 5 5 PHE HD1 H 1 7.149 0.013 . 1 . . . . 5 PHE HD1 . 20091 1
32 . 1 1 5 5 PHE HD2 H 1 7.149 0.013 . 1 . . . . 5 PHE HD2 . 20091 1
33 . 1 1 5 5 PHE HE1 H 1 7.321 0.013 . 1 . . . . 5 PHE HE1 . 20091 1
34 . 1 1 5 5 PHE HE2 H 1 7.321 0.013 . 1 . . . . 5 PHE HE2 . 20091 1
35 . 1 1 5 5 PHE HZ H 1 7.389 0.013 . 1 . . . . 5 PHE HZ . 20091 1
36 . 1 1 6 6 ASP H H 1 8.943 0.013 . 1 . . . . 6 ASP H . 20091 1
37 . 1 1 6 6 ASP HA H 1 4.347 0.013 . 1 . . . . 6 ASP HA . 20091 1
38 . 1 1 6 6 ASP HB2 H 1 2.680 0.013 . 2 . . . . 6 ASP HB2 . 20091 1
39 . 1 1 6 6 ASP HB3 H 1 2.680 0.013 . 2 . . . . 6 ASP HB3 . 20091 1
40 . 1 1 7 7 LYS H H 1 7.508 0.013 . 1 . . . . 7 LYS H . 20091 1
41 . 1 1 7 7 LYS HA H 1 4.097 0.013 . 1 . . . . 7 LYS HA . 20091 1
42 . 1 1 7 7 LYS HB2 H 1 1.949 0.013 . 2 . . . . 7 LYS HB2 . 20091 1
43 . 1 1 7 7 LYS HB3 H 1 1.853 0.013 . 2 . . . . 7 LYS HB3 . 20091 1
44 . 1 1 7 7 LYS HD2 H 1 1.526 0.013 . 2 . . . . 7 LYS HD2 . 20091 1
45 . 1 1 7 7 LYS HD3 H 1 1.334 0.013 . 2 . . . . 7 LYS HD3 . 20091 1
46 . 1 1 7 7 LYS HE2 H 1 2.513 0.013 . 1 . . . . 7 LYS HE2 . 20091 1
47 . 1 1 7 7 LYS HG2 H 1 1.141 0.013 . 2 . . . . 7 LYS HG2 . 20091 1
48 . 1 1 7 7 LYS HG3 H 1 1.141 0.013 . 2 . . . . 7 LYS HG3 . 20091 1
49 . 1 1 7 7 LYS HZ1 H 1 3.635 0.013 . 1 . . . . 7 LYS QZ . 20091 1
50 . 1 1 7 7 LYS HZ2 H 1 3.635 0.013 . 1 . . . . 7 LYS QZ . 20091 1
51 . 1 1 7 7 LYS HZ3 H 1 3.635 0.013 . 1 . . . . 7 LYS QZ . 20091 1
52 . 1 1 8 8 SER H H 1 7.724 0.013 . 1 . . . . 8 SER H . 20091 1
53 . 1 1 8 8 SER HA H 1 4.104 0.013 . 1 . . . . 8 SER HA . 20091 1
54 . 1 1 8 8 SER HB2 H 1 3.873 0.013 . 2 . . . . 8 SER HB2 . 20091 1
55 . 1 1 8 8 SER HB3 H 1 3.873 0.013 . 2 . . . . 8 SER HB3 . 20091 1
56 . 1 1 9 9 ILE H H 1 7.265 0.013 . 1 . . . . 9 ILE H . 20091 1
57 . 1 1 9 9 ILE HA H 1 3.770 0.013 . 1 . . . . 9 ILE HA . 20091 1
58 . 1 1 9 9 ILE HB H 1 1.770 0.013 . 1 . . . . 9 ILE HB . 20091 1
59 . 1 1 9 9 ILE HD11 H 1 0.596 0.013 . 1 . . . . 9 ILE MD . 20091 1
60 . 1 1 9 9 ILE HD12 H 1 0.596 0.013 . 1 . . . . 9 ILE MD . 20091 1
61 . 1 1 9 9 ILE HD13 H 1 0.596 0.013 . 1 . . . . 9 ILE MD . 20091 1
62 . 1 1 9 9 ILE HG12 H 1 1.186 0.013 . 2 . . . . 9 ILE HG12 . 20091 1
63 . 1 1 9 9 ILE HG13 H 1 1.186 0.013 . 2 . . . . 9 ILE HG13 . 20091 1
64 . 1 1 9 9 ILE HG21 H 1 0.750 0.013 . 1 . . . . 9 ILE MG . 20091 1
65 . 1 1 9 9 ILE HG22 H 1 0.750 0.013 . 1 . . . . 9 ILE MG . 20091 1
66 . 1 1 9 9 ILE HG23 H 1 0.750 0.013 . 1 . . . . 9 ILE MG . 20091 1
67 . 1 1 10 10 ARG H H 1 7.541 0.013 . 1 . . . . 10 ARG H . 20091 1
68 . 1 1 10 10 ARG HA H 1 4.110 0.013 . 1 . . . . 10 ARG HA . 20091 1
69 . 1 1 10 10 ARG HB2 H 1 1.872 0.013 . 2 . . . . 10 ARG HB2 . 20091 1
70 . 1 1 10 10 ARG HB3 H 1 1.795 0.013 . 2 . . . . 10 ARG HB3 . 20091 1
71 . 1 1 10 10 ARG HD2 H 1 3.194 0.013 . 2 . . . . 10 ARG HD2 . 20091 1
72 . 1 1 10 10 ARG HD3 H 1 3.167 0.013 . 2 . . . . 10 ARG HD3 . 20091 1
73 . 1 1 10 10 ARG HE H 1 7.292 0.013 . 1 . . . . 10 ARG HE . 20091 1
74 . 1 1 10 10 ARG HG2 H 1 1.725 0.013 . 2 . . . . 10 ARG HG2 . 20091 1
75 . 1 1 10 10 ARG HG3 H 1 1.616 0.013 . 2 . . . . 10 ARG HG3 . 20091 1
76 . 1 1 11 11 ASP H H 1 8.068 0.013 . 1 . . . . 11 ASP H . 20091 1
77 . 1 1 11 11 ASP HA H 1 4.706 0.013 . 1 . . . . 11 ASP HA . 20091 1
78 . 1 1 11 11 ASP HB2 H 1 2.924 0.013 . 2 . . . . 11 ASP HB2 . 20091 1
79 . 1 1 11 11 ASP HB3 H 1 2.642 0.013 . 2 . . . . 11 ASP HB3 . 20091 1
80 . 1 1 12 12 VAL H H 1 7.494 0.013 . 1 . . . . 12 VAL H . 20091 1
81 . 1 1 12 12 VAL HA H 1 4.048 0.013 . 1 . . . . 12 VAL HA . 20091 1
82 . 1 1 12 12 VAL HB H 1 2.150 0.013 . 1 . . . . 12 VAL HB . 20091 1
83 . 1 1 12 12 VAL HG11 H 1 0.978 0.013 . 2 . . . . 12 VAL MG1 . 20091 1
84 . 1 1 12 12 VAL HG12 H 1 0.978 0.013 . 2 . . . . 12 VAL MG1 . 20091 1
85 . 1 1 12 12 VAL HG13 H 1 0.978 0.013 . 2 . . . . 12 VAL MG1 . 20091 1
86 . 1 1 12 12 VAL HG21 H 1 0.978 0.013 . 2 . . . . 12 VAL MG2 . 20091 1
87 . 1 1 12 12 VAL HG22 H 1 0.978 0.013 . 2 . . . . 12 VAL MG2 . 20091 1
88 . 1 1 12 12 VAL HG23 H 1 0.978 0.013 . 2 . . . . 12 VAL MG2 . 20091 1
stop_
save_