###################################
# 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 18023
_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 TOCSY' . . . 18023 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 GLY H H 1 8.713 0.005 . 1 . . . . -1 GLY H . 18023 1
2 . 1 1 1 1 GLY HA2 H 1 3.917 0.005 . 2 . . . . -1 GLY HA2 . 18023 1
3 . 1 1 1 1 GLY HA3 H 1 4.120 0.005 . 2 . . . . -1 GLY HA3 . 18023 1
4 . 1 1 2 2 ASP H H 1 8.928 0.005 . 1 . . . . 1 ASP H . 18023 1
5 . 1 1 2 2 ASP HA H 1 4.517 0.005 . 1 . . . . 1 ASP HA . 18023 1
6 . 1 1 2 2 ASP HB2 H 1 2.683 0.005 . 2 . . . . 1 ASP HB2 . 18023 1
7 . 1 1 2 2 ASP HB3 H 1 2.722 0.005 . 2 . . . . 1 ASP HB3 . 18023 1
8 . 1 1 3 3 ALA H H 1 8.801 0.005 . 1 . . . . 2 ALA H . 18023 1
9 . 1 1 3 3 ALA HA H 1 4.283 0.005 . 1 . . . . 2 ALA HA . 18023 1
10 . 1 1 3 3 ALA HB1 H 1 1.491 0.005 . 1 . . . . 2 ALA MB . 18023 1
11 . 1 1 3 3 ALA HB2 H 1 1.491 0.005 . 1 . . . . 2 ALA MB . 18023 1
12 . 1 1 3 3 ALA HB3 H 1 1.491 0.005 . 1 . . . . 2 ALA MB . 18023 1
13 . 1 1 4 4 TYR H H 1 8.442 0.005 . 1 . . . . 3 TYR H . 18023 1
14 . 1 1 4 4 TYR HA H 1 3.994 0.005 . 1 . . . . 3 TYR HA . 18023 1
15 . 1 1 4 4 TYR HB2 H 1 2.899 0.005 . 1 . . . . 3 TYR HB2 . 18023 1
16 . 1 1 4 4 TYR HB3 H 1 3.110 0.005 . 1 . . . . 3 TYR HB3 . 18023 1
17 . 1 1 4 4 TYR HD1 H 1 7.090 0.005 . 1 . . . . 3 TYR HD1 . 18023 1
18 . 1 1 4 4 TYR HD2 H 1 7.090 0.005 . 1 . . . . 3 TYR HD2 . 18023 1
19 . 1 1 4 4 TYR HE1 H 1 6.781 0.005 . 1 . . . . 3 TYR HE1 . 18023 1
20 . 1 1 4 4 TYR HE2 H 1 6.781 0.005 . 1 . . . . 3 TYR HE2 . 18023 1
21 . 1 1 5 5 ALA H H 1 8.005 0.005 . 1 . . . . 4 ALA H . 18023 1
22 . 1 1 5 5 ALA HA H 1 4.164 0.005 . 1 . . . . 4 ALA HA . 18023 1
23 . 1 1 5 5 ALA HB1 H 1 1.634 0.005 . 1 . . . . 4 ALA MB . 18023 1
24 . 1 1 5 5 ALA HB2 H 1 1.634 0.005 . 1 . . . . 4 ALA MB . 18023 1
25 . 1 1 5 5 ALA HB3 H 1 1.634 0.005 . 1 . . . . 4 ALA MB . 18023 1
26 . 1 1 6 6 GLN H H 1 8.053 0.005 . 1 . . . . 5 GLN H . 18023 1
27 . 1 1 6 6 GLN HA H 1 4.004 0.005 . 1 . . . . 5 GLN HA . 18023 1
28 . 1 1 6 6 GLN HB2 H 1 2.152 0.005 . 2 . . . . 5 GLN HB2 . 18023 1
29 . 1 1 6 6 GLN HB3 H 1 2.215 0.005 . 2 . . . . 5 GLN HB3 . 18023 1
30 . 1 1 6 6 GLN HG2 H 1 2.406 0.005 . 2 . . . . 5 GLN HG2 . 18023 1
31 . 1 1 6 6 GLN HG3 H 1 2.406 0.005 . 2 . . . . 5 GLN HG3 . 18023 1
32 . 1 1 6 6 GLN HE21 H 1 7.039 0.005 . 2 . . . . 5 GLN HE21 . 18023 1
33 . 1 1 6 6 GLN HE22 H 1 7.842 0.005 . 2 . . . . 5 GLN HE22 . 18023 1
34 . 1 1 7 7 TRP H H 1 8.119 0.005 . 1 . . . . 6 TRP H . 18023 1
35 . 1 1 7 7 TRP HA H 1 4.186 0.005 . 1 . . . . 6 TRP HA . 18023 1
36 . 1 1 7 7 TRP HB2 H 1 3.057 0.005 . 1 . . . . 6 TRP HB2 . 18023 1
37 . 1 1 7 7 TRP HB3 H 1 3.569 0.005 . 1 . . . . 6 TRP HB3 . 18023 1
38 . 1 1 7 7 TRP HD1 H 1 6.985 0.005 . 1 . . . . 6 TRP HD1 . 18023 1
39 . 1 1 7 7 TRP HE1 H 1 9.768 0.005 . 1 . . . . 6 TRP HE1 . 18023 1
40 . 1 1 7 7 TRP HE3 H 1 6.886 0.005 . 1 . . . . 6 TRP HE3 . 18023 1
41 . 1 1 7 7 TRP HZ2 H 1 7.184 0.005 . 1 . . . . 6 TRP HZ2 . 18023 1
42 . 1 1 7 7 TRP HZ3 H 1 7.087 0.005 . 1 . . . . 6 TRP HZ3 . 18023 1
43 . 1 1 7 7 TRP HH2 H 1 7.241 0.005 . 1 . . . . 6 TRP HH2 . 18023 1
44 . 1 1 8 8 LEU H H 1 8.503 0.005 . 1 . . . . 7 LEU H . 18023 1
45 . 1 1 8 8 LEU HA H 1 3.370 0.005 . 1 . . . . 7 LEU HA . 18023 1
46 . 1 1 8 8 LEU HB2 H 1 1.883 0.005 . 1 . . . . 7 LEU HB2 . 18023 1
47 . 1 1 8 8 LEU HB3 H 1 1.390 0.005 . 1 . . . . 7 LEU HB3 . 18023 1
48 . 1 1 8 8 LEU HG H 1 1.590 0.005 . 1 . . . . 7 LEU HG . 18023 1
49 . 1 1 8 8 LEU HD11 H 1 1.005 0.005 . 2 . . . . 7 LEU MD1 . 18023 1
50 . 1 1 8 8 LEU HD12 H 1 1.005 0.005 . 2 . . . . 7 LEU MD1 . 18023 1
51 . 1 1 8 8 LEU HD13 H 1 1.005 0.005 . 2 . . . . 7 LEU MD1 . 18023 1
52 . 1 1 8 8 LEU HD21 H 1 0.895 0.005 . 2 . . . . 7 LEU MD2 . 18023 1
53 . 1 1 8 8 LEU HD22 H 1 0.895 0.005 . 2 . . . . 7 LEU MD2 . 18023 1
54 . 1 1 8 8 LEU HD23 H 1 0.895 0.005 . 2 . . . . 7 LEU MD2 . 18023 1
55 . 1 1 9 9 ALA H H 1 7.942 0.005 . 1 . . . . 8 ALA H . 18023 1
56 . 1 1 9 9 ALA HA H 1 4.052 0.005 . 1 . . . . 8 ALA HA . 18023 1
57 . 1 1 9 9 ALA HB1 H 1 1.484 0.005 . 1 . . . . 8 ALA MB . 18023 1
58 . 1 1 9 9 ALA HB2 H 1 1.484 0.005 . 1 . . . . 8 ALA MB . 18023 1
59 . 1 1 9 9 ALA HB3 H 1 1.484 0.005 . 1 . . . . 8 ALA MB . 18023 1
60 . 1 1 10 10 ASP H H 1 7.918 0.005 . 1 . . . . 9 ASP H . 18023 1
61 . 1 1 10 10 ASP HA H 1 4.560 0.005 . 1 . . . . 9 ASP HA . 18023 1
62 . 1 1 10 10 ASP HB2 H 1 2.718 0.005 . 1 . . . . 9 ASP HB2 . 18023 1
63 . 1 1 10 10 ASP HB3 H 1 2.896 0.005 . 1 . . . . 9 ASP HB3 . 18023 1
64 . 1 1 11 11 GLY H H 1 7.529 0.005 . 1 . . . . 10 GLY H . 18023 1
65 . 1 1 11 11 GLY HA2 H 1 3.440 0.005 . 1 . . . . 10 GLY HA2 . 18023 1
66 . 1 1 11 11 GLY HA3 H 1 4.174 0.005 . 1 . . . . 10 GLY HA3 . 18023 1
67 . 1 1 12 12 GLY H H 1 8.329 0.005 . 1 . . . . 11 GLY H . 18023 1
68 . 1 1 12 12 GLY HA2 H 1 0.589 0.005 . 1 . . . . 11 GLY HA2 . 18023 1
69 . 1 1 12 12 GLY HA3 H 1 3.039 0.005 . 1 . . . . 11 GLY HA3 . 18023 1
70 . 1 1 13 13 PRO HA H 1 4.601 0.005 . 1 . . . . 12 PRO HA . 18023 1
71 . 1 1 13 13 PRO HB2 H 1 2.065 0.005 . 1 . . . . 12 PRO HB2 . 18023 1
72 . 1 1 13 13 PRO HB3 H 1 2.530 0.005 . 1 . . . . 12 PRO HB3 . 18023 1
73 . 1 1 13 13 PRO HG2 H 1 2.172 0.005 . 1 . . . . 12 PRO HG2 . 18023 1
74 . 1 1 13 13 PRO HG3 H 1 2.172 0.005 . 1 . . . . 12 PRO HG3 . 18023 1
75 . 1 1 13 13 PRO HD2 H 1 3.812 0.005 . 1 . . . . 12 PRO HD2 . 18023 1
76 . 1 1 13 13 PRO HD3 H 1 3.460 0.005 . 1 . . . . 12 PRO HD3 . 18023 1
77 . 1 1 14 14 SER H H 1 7.642 0.005 . 1 . . . . 13 SER H . 18023 1
78 . 1 1 14 14 SER HA H 1 4.416 0.005 . 1 . . . . 13 SER HA . 18023 1
79 . 1 1 14 14 SER HB2 H 1 3.917 0.005 . 2 . . . . 13 SER HB2 . 18023 1
80 . 1 1 14 14 SER HB3 H 1 3.917 0.005 . 2 . . . . 13 SER HB3 . 18023 1
81 . 1 1 15 15 SER H H 1 8.268 0.005 . 1 . . . . 14 SER H . 18023 1
82 . 1 1 15 15 SER HA H 1 4.135 0.005 . 1 . . . . 14 SER HA . 18023 1
83 . 1 1 15 15 SER HB2 H 1 3.908 0.005 . 1 . . . . 14 SER HB2 . 18023 1
84 . 1 1 15 15 SER HB3 H 1 3.499 0.005 . 1 . . . . 14 SER HB3 . 18023 1
85 . 1 1 16 16 GLY H H 1 7.890 0.005 . 1 . . . . 15 GLY H . 18023 1
86 . 1 1 16 16 GLY HA2 H 1 3.815 0.005 . 1 . . . . 15 GLY HA2 . 18023 1
87 . 1 1 16 16 GLY HA3 H 1 4.276 0.005 . 1 . . . . 15 GLY HA3 . 18023 1
88 . 1 1 17 17 ARG H H 1 8.094 0.005 . 1 . . . . 16 ARG H . 18023 1
89 . 1 1 17 17 ARG HA H 1 5.069 0.005 . 1 . . . . 16 ARG HA . 18023 1
90 . 1 1 17 17 ARG HB2 H 1 1.674 0.005 . 2 . . . . 16 ARG HB2 . 18023 1
91 . 1 1 17 17 ARG HB3 H 1 1.931 0.005 . 2 . . . . 16 ARG HB3 . 18023 1
92 . 1 1 17 17 ARG HG2 H 1 1.673 0.005 . 2 . . . . 16 ARG HG2 . 18023 1
93 . 1 1 17 17 ARG HG3 H 1 1.772 0.005 . 2 . . . . 16 ARG HG3 . 18023 1
94 . 1 1 17 17 ARG HD2 H 1 3.247 0.005 . 2 . . . . 16 ARG HD2 . 18023 1
95 . 1 1 17 17 ARG HD3 H 1 3.362 0.005 . 2 . . . . 16 ARG HD3 . 18023 1
96 . 1 1 17 17 ARG HE H 1 7.779 0.005 . 1 . . . . 16 ARG HE . 18023 1
97 . 1 1 18 18 PRO HA H 1 4.761 0.005 . 1 . . . . 17 PRO HA . 18023 1
98 . 1 1 18 18 PRO HB2 H 1 1.762 0.005 . 1 . . . . 17 PRO HB2 . 18023 1
99 . 1 1 18 18 PRO HB3 H 1 2.303 0.005 . 1 . . . . 17 PRO HB3 . 18023 1
100 . 1 1 18 18 PRO HG2 H 1 1.778 0.005 . 1 . . . . 17 PRO HG2 . 18023 1
101 . 1 1 18 18 PRO HG3 H 1 1.778 0.005 . 1 . . . . 17 PRO HG3 . 18023 1
102 . 1 1 18 18 PRO HD2 H 1 3.689 0.005 . 1 . . . . 17 PRO HD2 . 18023 1
103 . 1 1 18 18 PRO HD3 H 1 3.884 0.005 . 1 . . . . 17 PRO HD3 . 18023 1
104 . 1 1 19 19 PRO HA H 1 2.368 0.005 . 1 . . . . 18 PRO HA . 18023 1
105 . 1 1 19 19 PRO HB2 H 1 1.293 0.005 . 1 . . . . 18 PRO HB2 . 18023 1
106 . 1 1 19 19 PRO HB3 H 1 0.167 0.005 . 1 . . . . 18 PRO HB3 . 18023 1
107 . 1 1 19 19 PRO HG2 H 1 1.756 0.005 . 1 . . . . 18 PRO HG2 . 18023 1
108 . 1 1 19 19 PRO HG3 H 1 1.871 0.005 . 1 . . . . 18 PRO HG3 . 18023 1
109 . 1 1 19 19 PRO HD2 H 1 3.533 0.005 . 1 . . . . 18 PRO HD2 . 18023 1
110 . 1 1 19 19 PRO HD3 H 1 3.533 0.005 . 1 . . . . 18 PRO HD3 . 18023 1
111 . 1 1 20 20 PRO HA H 1 4.587 0.005 . 1 . . . . 19 PRO HA . 18023 1
112 . 1 1 20 20 PRO HB2 H 1 1.912 0.005 . 1 . . . . 19 PRO HB2 . 18023 1
113 . 1 1 20 20 PRO HB3 H 1 2.282 0.005 . 1 . . . . 19 PRO HB3 . 18023 1
114 . 1 1 20 20 PRO HG2 H 1 1.653 0.005 . 1 . . . . 19 PRO HG2 . 18023 1
115 . 1 1 20 20 PRO HG3 H 1 1.653 0.005 . 1 . . . . 19 PRO HG3 . 18023 1
116 . 1 1 20 20 PRO HD2 H 1 2.801 0.005 . 1 . . . . 19 PRO HD2 . 18023 1
117 . 1 1 20 20 PRO HD3 H 1 3.337 0.005 . 1 . . . . 19 PRO HD3 . 18023 1
118 . 1 1 21 21 SER H H 1 8.513 0.005 . 1 . . . . 20 SER H . 18023 1
119 . 1 1 21 21 SER HA H 1 4.224 0.005 . 1 . . . . 20 SER HA . 18023 1
120 . 1 1 21 21 SER HB2 H 1 3.807 0.005 . 2 . . . . 20 SER HB2 . 18023 1
121 . 1 1 21 21 SER HB3 H 1 3.807 0.005 . 2 . . . . 20 SER HB3 . 18023 1
122 . 1 1 22 22 GLY H H 1 7.903 0.005 . 1 . . . . 21 GLY H . 18023 1
123 . 1 1 22 22 GLY HA2 H 1 3.808 0.005 . 2 . . . . 21 GLY HA2 . 18023 1
124 . 1 1 22 22 GLY HA3 H 1 4.179 0.005 . 2 . . . . 21 GLY HA3 . 18023 1
stop_
save_