###################################
# 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 20015
_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
3 '2D 1H-1H TOCSY' . . . 20015 1
4 '2D 1H-1H NOESY' . . . 20015 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 ARG HA H 1 4.071 0.000 . . . . . . 101 ARG HA . 20015 1
2 . 1 1 1 1 ARG HB2 H 1 1.949 0.000 . . . . . . 101 ARG HB2 . 20015 1
3 . 1 1 1 1 ARG HB3 H 1 1.717 0.000 . . . . . . 101 ARG HB3 . 20015 1
4 . 1 1 1 1 ARG HD2 H 1 3.243 0.000 . . . . . . 101 ARG QD . 20015 1
5 . 1 1 1 1 ARG HD3 H 1 3.243 0.000 . . . . . . 101 ARG QD . 20015 1
6 . 1 1 1 1 ARG HG2 H 1 1.678 0.000 . . . . . . 101 ARG QG . 20015 1
7 . 1 1 1 1 ARG HG3 H 1 1.678 0.000 . . . . . . 101 ARG QG . 20015 1
8 . 1 1 2 2 LYS HA H 1 4.434 0.000 . . . . . . 102 LYS HA . 20015 1
9 . 1 1 2 2 LYS HB2 H 1 1.878 0.000 . . . . . . 102 LYS HB2 . 20015 1
10 . 1 1 2 2 LYS HB3 H 1 1.825 0.000 . . . . . . 102 LYS HB3 . 20015 1
11 . 1 1 2 2 LYS HD2 H 1 1.778 0.000 . . . . . . 102 LYS QD . 20015 1
12 . 1 1 2 2 LYS HD3 H 1 1.778 0.000 . . . . . . 102 LYS QD . 20015 1
13 . 1 1 2 2 LYS HE2 H 1 3.113 0.000 . . . . . . 102 LYS QE . 20015 1
14 . 1 1 2 2 LYS HE3 H 1 3.113 0.000 . . . . . . 102 LYS QE . 20015 1
15 . 1 1 2 2 LYS HG2 H 1 1.513 0.000 . . . . . . 102 LYS QG . 20015 1
16 . 1 1 2 2 LYS HG3 H 1 1.513 0.000 . . . . . . 102 LYS QG . 20015 1
17 . 1 1 3 3 SER H H 1 8.705 0.000 . . . . . . 103 SER HN . 20015 1
18 . 1 1 3 3 SER HA H 1 4.520 0.000 . . . . . . 103 SER HA . 20015 1
19 . 1 1 3 3 SER HB2 H 1 3.865 0.000 . . . . . . 103 SER QB . 20015 1
20 . 1 1 3 3 SER HB3 H 1 3.865 0.000 . . . . . . 103 SER QB . 20015 1
21 . 1 1 4 4 ILE H H 1 8.360 0.000 . . . . . . 104 ILE HN . 20015 1
22 . 1 1 4 4 ILE HA H 1 4.235 0.000 . . . . . . 104 ILE HA . 20015 1
23 . 1 1 4 4 ILE HB H 1 1.854 0.000 . . . . . . 104 ILE HB . 20015 1
24 . 1 1 4 4 ILE HD11 H 1 0.862 0.000 . . . . . . 104 ILE QD1 . 20015 1
25 . 1 1 4 4 ILE HD12 H 1 0.862 0.000 . . . . . . 104 ILE QD1 . 20015 1
26 . 1 1 4 4 ILE HD13 H 1 0.862 0.000 . . . . . . 104 ILE QD1 . 20015 1
27 . 1 1 4 4 ILE HG12 H 1 1.347 0.000 . . . . . . 104 ILE HG12 . 20015 1
28 . 1 1 4 4 ILE HG13 H 1 1.152 0.000 . . . . . . 104 ILE HG13 . 20015 1
29 . 1 1 4 4 ILE HG21 H 1 0.889 0.000 . . . . . . 104 ILE QG2 . 20015 1
30 . 1 1 4 4 ILE HG22 H 1 0.889 0.000 . . . . . . 104 ILE QG2 . 20015 1
31 . 1 1 4 4 ILE HG23 H 1 0.889 0.000 . . . . . . 104 ILE QG2 . 20015 1
32 . 1 1 5 5 ASN H H 1 8.549 0.000 . . . . . . 105 ASN HN . 20015 1
33 . 1 1 5 5 ASN HA H 1 4.591 0.000 . . . . . . 105 ASN HA . 20015 1
34 . 1 1 5 5 ASN HB2 H 1 2.987 0.000 . . . . . . 105 ASN HB2 . 20015 1
35 . 1 1 5 5 ASN HB3 H 1 2.934 0.000 . . . . . . 105 ASN HB3 . 20015 1
36 . 1 1 5 5 ASN HD21 H 1 7.106 0.000 . . . . . . 105 ASN HD21 . 20015 1
37 . 1 1 5 5 ASN HD22 H 1 6.793 0.000 . . . . . . 105 ASN HD22 . 20015 1
38 . 1 1 6 6 ILE H H 1 8.148 0.000 . . . . . . 106 ILE HN . 20015 1
39 . 1 1 6 6 ILE HA H 1 4.167 0.000 . . . . . . 106 ILE HA . 20015 1
40 . 1 1 6 6 ILE HB H 1 1.798 0.000 . . . . . . 106 ILE HB . 20015 1
41 . 1 1 6 6 ILE HD11 H 1 0.837 0.000 . . . . . . 106 ILE QD1 . 20015 1
42 . 1 1 6 6 ILE HD12 H 1 0.837 0.000 . . . . . . 106 ILE QD1 . 20015 1
43 . 1 1 6 6 ILE HD13 H 1 0.837 0.000 . . . . . . 106 ILE QD1 . 20015 1
44 . 1 1 6 6 ILE HG12 H 1 1.417 0.000 . . . . . . 106 ILE HG12 . 20015 1
45 . 1 1 6 6 ILE HG13 H 1 1.115 0.000 . . . . . . 106 ILE HG13 . 20015 1
46 . 1 1 6 6 ILE HG21 H 1 0.875 0.000 . . . . . . 106 ILE QG2 . 20015 1
47 . 1 1 6 6 ILE HG22 H 1 0.875 0.000 . . . . . . 106 ILE QG2 . 20015 1
48 . 1 1 6 6 ILE HG23 H 1 0.875 0.000 . . . . . . 106 ILE QG2 . 20015 1
49 . 1 1 7 7 GLY H H 1 7.742 0.000 . . . . . . 107 GLY HN . 20015 1
50 . 1 1 7 7 GLY HA2 H 1 4.018 0.000 . . . . . . 107 GLY QA . 20015 1
51 . 1 1 7 7 GLY HA3 H 1 4.018 0.000 . . . . . . 107 GLY QA . 20015 1
52 . 1 1 8 8 PRO HA H 1 4.513 0.000 . . . . . . 108 PRO HA . 20015 1
53 . 1 1 8 8 PRO HB2 H 1 2.325 0.000 . . . . . . 108 PRO HB2 . 20015 1
54 . 1 1 8 8 PRO HB3 H 1 2.085 0.000 . . . . . . 108 PRO HB3 . 20015 1
55 . 1 1 8 8 PRO HD2 H 1 3.715 0.000 . . . . . . 108 PRO HD2 . 20015 1
56 . 1 1 8 8 PRO HD3 H 1 3.672 0.000 . . . . . . 108 PRO HD3 . 20015 1
57 . 1 1 8 8 PRO HG2 H 1 2.044 0.000 . . . . . . 108 PRO QG . 20015 1
58 . 1 1 8 8 PRO HG3 H 1 2.044 0.000 . . . . . . 108 PRO QG . 20015 1
59 . 1 1 9 9 GLY H H 1 8.716 0.000 . . . . . . 109 GLY HN . 20015 1
60 . 1 1 9 9 GLY HA2 H 1 3.981 0.000 . . . . . . 109 GLY QA . 20015 1
61 . 1 1 9 9 GLY HA3 H 1 3.981 0.000 . . . . . . 109 GLY QA . 20015 1
62 . 1 1 10 10 ARG H H 1 8.200 0.001 . . . . . . 110 ARG HN . 20015 1
63 . 1 1 10 10 ARG HA H 1 4.295 0.000 . . . . . . 110 ARG HA . 20015 1
64 . 1 1 10 10 ARG HB2 H 1 1.770 0.000 . . . . . . 110 ARG HB2 . 20015 1
65 . 1 1 10 10 ARG HB3 H 1 1.669 0.000 . . . . . . 110 ARG HB3 . 20015 1
66 . 1 1 10 10 ARG HD2 H 1 3.103 0.000 . . . . . . 110 ARG QD . 20015 1
67 . 1 1 10 10 ARG HD3 H 1 3.103 0.000 . . . . . . 110 ARG QD . 20015 1
68 . 1 1 10 10 ARG HG2 H 1 1.522 0.000 . . . . . . 110 ARG QG . 20015 1
69 . 1 1 10 10 ARG HG3 H 1 1.522 0.000 . . . . . . 110 ARG QG . 20015 1
70 . 1 1 11 11 ALA H H 1 8.397 0.000 . . . . . . 111 ALA HN . 20015 1
71 . 1 1 11 11 ALA HA H 1 4.244 0.001 . . . . . . 111 ALA HA . 20015 1
72 . 1 1 11 11 ALA HB1 H 1 1.269 0.000 . . . . . . 111 ALA QB . 20015 1
73 . 1 1 11 11 ALA HB2 H 1 1.269 0.000 . . . . . . 111 ALA QB . 20015 1
74 . 1 1 11 11 ALA HB3 H 1 1.269 0.000 . . . . . . 111 ALA QB . 20015 1
75 . 1 1 12 12 PHE H H 1 8.170 0.000 . . . . . . 112 PHE HN . 20015 1
76 . 1 1 12 12 PHE HA H 1 4.586 0.001 . . . . . . 112 PHE HA . 20015 1
77 . 1 1 12 12 PHE HB2 H 1 3.126 0.000 . . . . . . 112 PHE HB2 . 20015 1
78 . 1 1 12 12 PHE HB3 H 1 2.954 0.000 . . . . . . 112 PHE HB3 . 20015 1
79 . 1 1 12 12 PHE HZ H 1 7.309 0.000 . . . . . . 112 PHE HZ . 20015 1
80 . 1 1 12 12 PHE CG C 13 7.229 0.000 . . . . . . 112 PHE CG . 20015 1
81 . 1 1 12 12 PHE CZ C 13 7.351 0.000 . . . . . . 112 PHE CZ . 20015 1
82 . 1 1 13 13 TYR H H 1 7.775 0.000 . . . . . . 113 TYR HN . 20015 1
83 . 1 1 13 13 TYR HA H 1 4.373 0.000 . . . . . . 113 TYR HA . 20015 1
84 . 1 1 13 13 TYR HB2 H 1 3.089 0.000 . . . . . . 113 TYR HB2 . 20015 1
85 . 1 1 13 13 TYR HB3 H 1 2.890 0.000 . . . . . . 113 TYR HB3 . 20015 1
86 . 1 1 13 13 TYR CG C 13 7.113 0.000 . . . . . . 113 TYR CG . 20015 1
87 . 1 1 13 13 TYR CZ C 13 6.839 0.000 . . . . . . 113 TYR CZ . 20015 1
stop_
save_