###################################
# 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 34632
_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 1D-1H . . . 34632 1
2 '2D 1H-1H NOESY' . . . 34632 1
3 '2D 1H-1H TOCSY' . . . 34632 1
4 '2D 1H-1H COSY' . . . 34632 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 1 1 PHE HA H 1 4.408 0.002 . . . . . . A 1 PHE HA . 34632 1
2 . 1 . 1 1 1 PHE HB2 H 1 3.124 0.000 . . . . . . A 1 PHE HB2 . 34632 1
3 . 1 . 1 1 1 PHE HB3 H 1 3.200 0.001 . . . . . . A 1 PHE HB3 . 34632 1
4 . 1 . 1 1 1 PHE HD1 H 1 7.300 0.000 . . . . . . A 1 PHE HD1 . 34632 1
5 . 1 . 1 1 1 PHE HD2 H 1 7.300 0.000 . . . . . . A 1 PHE HD2 . 34632 1
6 . 1 . 1 2 2 VAL H H 1 7.512 0.000 . . . . . . A 2 VAL H . 34632 1
7 . 1 . 1 2 2 VAL HA H 1 4.185 0.000 . . . . . . A 2 VAL HA . 34632 1
8 . 1 . 1 2 2 VAL HB H 1 1.673 0.001 . . . . . . A 2 VAL HB . 34632 1
9 . 1 . 1 2 2 VAL HG11 H 1 0.612 0.000 . . . . . . A 2 VAL HG11 . 34632 1
10 . 1 . 1 2 2 VAL HG12 H 1 0.612 0.000 . . . . . . A 2 VAL HG12 . 34632 1
11 . 1 . 1 2 2 VAL HG13 H 1 0.612 0.000 . . . . . . A 2 VAL HG13 . 34632 1
12 . 1 . 1 2 2 VAL HG21 H 1 0.612 0.000 . . . . . . A 2 VAL HG21 . 34632 1
13 . 1 . 1 2 2 VAL HG22 H 1 0.612 0.000 . . . . . . A 2 VAL HG22 . 34632 1
14 . 1 . 1 2 2 VAL HG23 H 1 0.612 0.000 . . . . . . A 2 VAL HG23 . 34632 1
15 . 1 . 1 3 3 PRO HA H 1 4.324 0.000 . . . . . . A 3 PRO HA . 34632 1
16 . 1 . 1 3 3 PRO HB2 H 1 2.174 0.000 . . . . . . A 3 PRO HB2 . 34632 1
17 . 1 . 1 3 3 PRO HB3 H 1 2.174 0.000 . . . . . . A 3 PRO HB3 . 34632 1
18 . 1 . 1 3 3 PRO HG2 H 1 1.950 0.001 . . . . . . A 3 PRO HG2 . 34632 1
19 . 1 . 1 3 3 PRO HG3 H 1 1.950 0.001 . . . . . . A 3 PRO HG3 . 34632 1
20 . 1 . 1 3 3 PRO HD2 H 1 3.575 0.000 . . . . . . A 3 PRO HD2 . 34632 1
21 . 1 . 1 3 3 PRO HD3 H 1 3.658 0.000 . . . . . . A 3 PRO HD3 . 34632 1
22 . 1 . 1 4 4 TRP H H 1 7.414 0.000 . . . . . . A 4 TRP H . 34632 1
23 . 1 . 1 4 4 TRP HA H 1 4.313 0.000 . . . . . . A 4 TRP HA . 34632 1
24 . 1 . 1 4 4 TRP HB2 H 1 3.065 0.000 . . . . . . A 4 TRP HB2 . 34632 1
25 . 1 . 1 4 4 TRP HB3 H 1 3.154 0.000 . . . . . . A 4 TRP HB3 . 34632 1
26 . 1 . 1 4 4 TRP HD1 H 1 7.251 0.001 . . . . . . A 4 TRP HD1 . 34632 1
27 . 1 . 1 4 4 TRP HE1 H 1 9.946 0.001 . . . . . . A 4 TRP HE1 . 34632 1
28 . 1 . 1 4 4 TRP HE3 H 1 7.184 0.000 . . . . . . A 4 TRP HE3 . 34632 1
29 . 1 . 1 4 4 TRP HZ2 H 1 7.344 0.000 . . . . . . A 4 TRP HZ2 . 34632 1
30 . 1 . 1 4 4 TRP HZ3 H 1 6.896 0.005 . . . . . . A 4 TRP HZ3 . 34632 1
31 . 1 . 1 4 4 TRP HH2 H 1 7.006 0.001 . . . . . . A 4 TRP HH2 . 34632 1
32 . 1 . 1 5 5 PHE H H 1 7.489 0.000 . . . . . . A 5 PHE H . 34632 1
33 . 1 . 1 5 5 PHE HA H 1 4.418 0.000 . . . . . . A 5 PHE HA . 34632 1
34 . 1 . 1 5 5 PHE HB2 H 1 2.881 0.000 . . . . . . A 5 PHE HB2 . 34632 1
35 . 1 . 1 5 5 PHE HB3 H 1 3.115 0.000 . . . . . . A 5 PHE HB3 . 34632 1
36 . 1 . 1 5 5 PHE HD1 H 1 7.142 0.000 . . . . . . A 5 PHE HD1 . 34632 1
37 . 1 . 1 5 5 PHE HD2 H 1 7.142 0.000 . . . . . . A 5 PHE HD2 . 34632 1
38 . 1 . 1 5 5 PHE HE1 H 1 7.190 0.000 . . . . . . A 5 PHE HE1 . 34632 1
39 . 1 . 1 5 5 PHE HE2 H 1 7.190 0.000 . . . . . . A 5 PHE HE2 . 34632 1
40 . 1 . 1 6 6 SER H H 1 8.067 0.000 . . . . . . A 6 SER H . 34632 1
41 . 1 . 1 6 6 SER HA H 1 4.236 0.004 . . . . . . A 6 SER HA . 34632 1
42 . 1 . 1 6 6 SER HB2 H 1 3.936 0.001 . . . . . . A 6 SER HB2 . 34632 1
43 . 1 . 1 6 6 SER HB3 H 1 3.936 0.001 . . . . . . A 6 SER HB3 . 34632 1
44 . 1 . 1 7 7 LYS H H 1 7.791 0.000 . . . . . . A 7 LYS H . 34632 1
45 . 1 . 1 7 7 LYS HA H 1 4.170 0.004 . . . . . . A 7 LYS HA . 34632 1
46 . 1 . 1 7 7 LYS HB2 H 1 1.705 0.002 . . . . . . A 7 LYS HB2 . 34632 1
47 . 1 . 1 7 7 LYS HB3 H 1 1.705 0.002 . . . . . . A 7 LYS HB3 . 34632 1
48 . 1 . 1 7 7 LYS HG2 H 1 1.212 0.000 . . . . . . A 7 LYS HG2 . 34632 1
49 . 1 . 1 7 7 LYS HG3 H 1 1.212 0.000 . . . . . . A 7 LYS HG3 . 34632 1
50 . 1 . 1 7 7 LYS HD2 H 1 1.542 0.001 . . . . . . A 7 LYS HD2 . 34632 1
51 . 1 . 1 7 7 LYS HD3 H 1 1.542 0.001 . . . . . . A 7 LYS HD3 . 34632 1
52 . 1 . 1 7 7 LYS HE2 H 1 2.856 0.002 . . . . . . A 7 LYS HE2 . 34632 1
53 . 1 . 1 7 7 LYS HE3 H 1 2.856 0.002 . . . . . . A 7 LYS HE3 . 34632 1
54 . 1 . 1 7 7 LYS HZ1 H 1 7.338 0.000 . . . . . . A 7 LYS HZ1 . 34632 1
55 . 1 . 1 7 7 LYS HZ2 H 1 7.338 0.000 . . . . . . A 7 LYS HZ2 . 34632 1
56 . 1 . 1 7 7 LYS HZ3 H 1 7.338 0.000 . . . . . . A 7 LYS HZ3 . 34632 1
57 . 1 . 1 8 8 PHE H H 1 7.901 0.001 . . . . . . A 8 PHE H . 34632 1
58 . 1 . 1 8 8 PHE HA H 1 4.489 0.000 . . . . . . A 8 PHE HA . 34632 1
59 . 1 . 1 8 8 PHE HB2 H 1 3.013 0.001 . . . . . . A 8 PHE HB2 . 34632 1
60 . 1 . 1 8 8 PHE HB3 H 1 3.013 0.001 . . . . . . A 8 PHE HB3 . 34632 1
61 . 1 . 1 8 8 PHE HD1 H 1 7.150 0.000 . . . . . . A 8 PHE HD1 . 34632 1
62 . 1 . 1 8 8 PHE HD2 H 1 7.150 0.000 . . . . . . A 8 PHE HD2 . 34632 1
63 . 1 . 1 8 8 PHE HE1 H 1 7.194 0.000 . . . . . . A 8 PHE HE1 . 34632 1
64 . 1 . 1 8 8 PHE HE2 H 1 7.194 0.000 . . . . . . A 8 PHE HE2 . 34632 1
65 . 1 . 1 9 9 DLE H H 1 8.485 0.000 . . . . . . A 9 DLE H . 34632 1
66 . 1 . 1 9 9 DLE HA H 1 4.085 0.000 . . . . . . A 9 DLE HA . 34632 1
67 . 1 . 1 9 9 DLE HB2 H 1 1.532 0.001 . . . . . . A 9 DLE HB2 . 34632 1
68 . 1 . 1 9 9 DLE HB3 H 1 1.703 0.001 . . . . . . A 9 DLE HB3 . 34632 1
69 . 1 . 1 9 9 DLE HD11 H 1 0.701 0.000 . . . . . . A 9 DLE HD11 . 34632 1
70 . 1 . 1 9 9 DLE HD12 H 1 0.701 0.000 . . . . . . A 9 DLE HD12 . 34632 1
71 . 1 . 1 9 9 DLE HD13 H 1 0.701 0.000 . . . . . . A 9 DLE HD13 . 34632 1
72 . 1 . 1 9 9 DLE HD21 H 1 0.769 0.001 . . . . . . A 9 DLE HD21 . 34632 1
73 . 1 . 1 9 9 DLE HD22 H 1 0.769 0.001 . . . . . . A 9 DLE HD22 . 34632 1
74 . 1 . 1 9 9 DLE HD23 H 1 0.769 0.001 . . . . . . A 9 DLE HD23 . 34632 1
75 . 1 . 1 9 9 DLE HG H 1 1.472 0.726 . . . . . . A 9 DLE HG . 34632 1
76 . 1 . 1 10 10 GLY H H 1 8.307 0.001 . . . . . . A 10 GLY H . 34632 1
77 . 1 . 1 10 10 GLY HA2 H 1 3.785 0.001 . . . . . . A 10 GLY HA2 . 34632 1
78 . 1 . 1 10 10 GLY HA3 H 1 3.849 0.000 . . . . . . A 10 GLY HA3 . 34632 1
79 . 1 . 1 11 11 ARG H H 1 7.998 0.000 . . . . . . A 11 ARG H . 34632 1
80 . 1 . 1 11 11 ARG HA H 1 4.172 0.000 . . . . . . A 11 ARG HA . 34632 1
81 . 1 . 1 11 11 ARG HB2 H 1 1.892 0.000 . . . . . . A 11 ARG HB2 . 34632 1
82 . 1 . 1 11 11 ARG HB3 H 1 1.892 0.000 . . . . . . A 11 ARG HB3 . 34632 1
83 . 1 . 1 11 11 ARG HG2 H 1 1.724 0.000 . . . . . . A 11 ARG HG2 . 34632 1
84 . 1 . 1 11 11 ARG HG3 H 1 1.724 0.000 . . . . . . A 11 ARG HG3 . 34632 1
85 . 1 . 1 11 11 ARG HD2 H 1 3.149 0.000 . . . . . . A 11 ARG HD2 . 34632 1
86 . 1 . 1 11 11 ARG HD3 H 1 3.197 0.000 . . . . . . A 11 ARG HD3 . 34632 1
87 . 1 . 1 12 12 ILE H H 1 7.420 0.000 . . . . . . A 12 ILE H . 34632 1
88 . 1 . 1 12 12 ILE HA H 1 4.030 0.001 . . . . . . A 12 ILE HA . 34632 1
89 . 1 . 1 12 12 ILE HB H 1 1.800 0.001 . . . . . . A 12 ILE HB . 34632 1
90 . 1 . 1 12 12 ILE HG12 H 1 1.116 0.001 . . . . . . A 12 ILE HG12 . 34632 1
91 . 1 . 1 12 12 ILE HG13 H 1 1.332 0.001 . . . . . . A 12 ILE HG13 . 34632 1
92 . 1 . 1 12 12 ILE HG21 H 1 0.843 0.000 . . . . . . A 12 ILE HG21 . 34632 1
93 . 1 . 1 12 12 ILE HG22 H 1 0.843 0.000 . . . . . . A 12 ILE HG22 . 34632 1
94 . 1 . 1 12 12 ILE HG23 H 1 0.843 0.000 . . . . . . A 12 ILE HG23 . 34632 1
95 . 1 . 1 12 12 ILE HD11 H 1 0.748 0.001 . . . . . . A 12 ILE HD11 . 34632 1
96 . 1 . 1 12 12 ILE HD12 H 1 0.748 0.001 . . . . . . A 12 ILE HD12 . 34632 1
97 . 1 . 1 12 12 ILE HD13 H 1 0.748 0.001 . . . . . . A 12 ILE HD13 . 34632 1
98 . 1 . 1 13 13 LEU H H 1 8.009 0.000 . . . . . . A 13 LEU H . 34632 1
99 . 1 . 1 13 13 LEU HA H 1 4.272 0.000 . . . . . . A 13 LEU HA . 34632 1
100 . 1 . 1 13 13 LEU HB2 H 1 1.647 0.000 . . . . . . A 13 LEU HB2 . 34632 1
101 . 1 . 1 13 13 LEU HB3 H 1 1.647 0.000 . . . . . . A 13 LEU HB3 . 34632 1
102 . 1 . 1 13 13 LEU HG H 1 1.537 0.000 . . . . . . A 13 LEU HG . 34632 1
103 . 1 . 1 13 13 LEU HD11 H 1 0.870 0.001 . . . . . . A 13 LEU HD11 . 34632 1
104 . 1 . 1 13 13 LEU HD12 H 1 0.870 0.001 . . . . . . A 13 LEU HD12 . 34632 1
105 . 1 . 1 13 13 LEU HD13 H 1 0.870 0.001 . . . . . . A 13 LEU HD13 . 34632 1
106 . 1 . 1 13 13 LEU HD21 H 1 0.870 0.001 . . . . . . A 13 LEU HD21 . 34632 1
107 . 1 . 1 13 13 LEU HD22 H 1 0.870 0.001 . . . . . . A 13 LEU HD22 . 34632 1
108 . 1 . 1 13 13 LEU HD23 H 1 0.870 0.001 . . . . . . A 13 LEU HD23 . 34632 1
109 . 1 . 1 14 14 NH2 HN1 H 1 7.066 0.000 . . . . . . A 14 NH2 HN1 . 34632 1
110 . 1 . 1 14 14 NH2 HN2 H 1 6.933 0.000 . . . . . . A 14 NH2 HN2 . 34632 1
stop_
save_