###################################
# 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 4607
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref_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 $sample_1 . 4607 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 ILE H H 1 7.91 . . 1 . . . . . . . . 4607 1
2 . 1 1 1 1 ILE HA H 1 4.55 . . 1 . . . . . . . . 4607 1
3 . 1 1 1 1 ILE HB H 1 1.95 . . 1 . . . . . . . . 4607 1
4 . 1 1 1 1 ILE HG12 H 1 1.26 . . 1 . . . . . . . . 4607 1
5 . 1 1 1 1 ILE HG13 H 1 1.63 . . 2 . . . . . . . . 4607 1
6 . 1 1 1 1 ILE HG21 H 1 1.05 . . 1 . . . . . . . . 4607 1
7 . 1 1 1 1 ILE HG22 H 1 1.05 . . 1 . . . . . . . . 4607 1
8 . 1 1 1 1 ILE HG23 H 1 1.05 . . 1 . . . . . . . . 4607 1
9 . 1 1 1 1 ILE HD11 H 1 0.96 . . 1 . . . . . . . . 4607 1
10 . 1 1 1 1 ILE HD12 H 1 0.96 . . 1 . . . . . . . . 4607 1
11 . 1 1 1 1 ILE HD13 H 1 0.96 . . 1 . . . . . . . . 4607 1
12 . 1 1 2 2 PRO HA H 1 4.47 . . 1 . . . . . . . . 4607 1
13 . 1 1 2 2 PRO HB2 H 1 2.04 . . 2 . . . . . . . . 4607 1
14 . 1 1 2 2 PRO HB3 H 1 2.40 . . 2 . . . . . . . . 4607 1
15 . 1 1 2 2 PRO HG2 H 1 2.17 . . 2 . . . . . . . . 4607 1
16 . 1 1 2 2 PRO HG3 H 1 2.05 . . 2 . . . . . . . . 4607 1
17 . 1 1 2 2 PRO HD2 H 1 3.79 . . 2 . . . . . . . . 4607 1
18 . 1 1 2 2 PRO HD3 H 1 4.00 . . 2 . . . . . . . . 4607 1
19 . 1 1 3 3 GLU H H 1 8.82 . . 1 . . . . . . . . 4607 1
20 . 1 1 3 3 GLU HA H 1 4.35 . . 1 . . . . . . . . 4607 1
21 . 1 1 3 3 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 4607 1
22 . 1 1 3 3 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 4607 1
23 . 1 1 3 3 GLU HG2 H 1 2.45 . . 1 . . . . . . . . 4607 1
24 . 1 1 3 3 GLU HG3 H 1 2.45 . . 1 . . . . . . . . 4607 1
25 . 1 1 4 4 SER H H 1 8.39 . . 1 . . . . . . . . 4607 1
26 . 1 1 4 4 SER HA H 1 4.50 . . 1 . . . . . . . . 4607 1
27 . 1 1 4 4 SER HB2 H 1 4.00 . . 2 . . . . . . . . 4607 1
28 . 1 1 4 4 SER HB3 H 1 4.10 . . 2 . . . . . . . . 4607 1
29 . 1 1 5 5 SER H H 1 8.48 . . 1 . . . . . . . . 4607 1
30 . 1 1 5 5 SER HA H 1 4.48 . . 1 . . . . . . . . 4607 1
31 . 1 1 5 5 SER HB2 H 1 4.02 . . 2 . . . . . . . . 4607 1
32 . 1 1 5 5 SER HB3 H 1 4.08 . . 2 . . . . . . . . 4607 1
33 . 1 1 6 6 GLU H H 1 8.61 . . 1 . . . . . . . . 4607 1
34 . 1 1 6 6 GLU HA H 1 4.22 . . 1 . . . . . . . . 4607 1
35 . 1 1 6 6 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 4607 1
36 . 1 1 6 6 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 4607 1
37 . 1 1 6 6 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4607 1
38 . 1 1 6 6 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 4607 1
39 . 1 1 7 7 LEU H H 1 8.04 . . 1 . . . . . . . . 4607 1
40 . 1 1 7 7 LEU HA H 1 4.31 . . 1 . . . . . . . . 4607 1
41 . 1 1 7 7 LEU HB2 H 1 1.73 . . 2 . . . . . . . . 4607 1
42 . 1 1 7 7 LEU HB3 H 1 1.85 . . 2 . . . . . . . . 4607 1
43 . 1 1 7 7 LEU HG H 1 2.42 . . 2 . . . . . . . . 4607 1
44 . 1 1 7 7 LEU HD11 H 1 0.98 . . 2 . . . . . . . . 4607 1
45 . 1 1 7 7 LEU HD12 H 1 0.98 . . 2 . . . . . . . . 4607 1
46 . 1 1 7 7 LEU HD13 H 1 0.98 . . 2 . . . . . . . . 4607 1
47 . 1 1 7 7 LEU HD21 H 1 1.03 . . 2 . . . . . . . . 4607 1
48 . 1 1 7 7 LEU HD22 H 1 1.03 . . 2 . . . . . . . . 4607 1
49 . 1 1 7 7 LEU HD23 H 1 1.03 . . 2 . . . . . . . . 4607 1
50 . 1 1 8 8 THR H H 1 8.01 . . 1 . . . . . . . . 4607 1
51 . 1 1 8 8 THR HA H 1 4.21 . . 1 . . . . . . . . 4607 1
52 . 1 1 8 8 THR HB H 1 4.46 . . 2 . . . . . . . . 4607 1
53 . 1 1 8 8 THR HG21 H 1 1.36 . . 1 . . . . . . . . 4607 1
54 . 1 1 8 8 THR HG22 H 1 1.36 . . 1 . . . . . . . . 4607 1
55 . 1 1 8 8 THR HG23 H 1 1.36 . . 1 . . . . . . . . 4607 1
56 . 1 1 9 9 LEU H H 1 8.25 . . 1 . . . . . . . . 4607 1
57 . 1 1 9 9 LEU HA H 1 4.20 . . 1 . . . . . . . . 4607 1
58 . 1 1 9 9 LEU HB2 H 1 1.76 . . 2 . . . . . . . . 4607 1
59 . 1 1 9 9 LEU HB3 H 1 1.81 . . 2 . . . . . . . . 4607 1
60 . 1 1 9 9 LEU HG H 1 1.90 . . 1 . . . . . . . . 4607 1
61 . 1 1 9 9 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4607 1
62 . 1 1 9 9 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4607 1
63 . 1 1 9 9 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4607 1
64 . 1 1 9 9 LEU HD21 H 1 1.02 . . 2 . . . . . . . . 4607 1
65 . 1 1 9 9 LEU HD22 H 1 1.02 . . 2 . . . . . . . . 4607 1
66 . 1 1 9 9 LEU HD23 H 1 1.02 . . 2 . . . . . . . . 4607 1
67 . 1 1 10 10 GLN H H 1 8.25 . . 1 . . . . . . . . 4607 1
68 . 1 1 10 10 GLN HA H 1 4.02 . . 1 . . . . . . . . 4607 1
69 . 1 1 10 10 GLN HB2 H 1 2.23 . . 2 . . . . . . . . 4607 1
70 . 1 1 10 10 GLN HB3 H 1 2.30 . . 2 . . . . . . . . 4607 1
71 . 1 1 10 10 GLN HG2 H 1 1.93 . . 1 . . . . . . . . 4607 1
72 . 1 1 10 10 GLN HG3 H 1 1.93 . . 1 . . . . . . . . 4607 1
73 . 1 1 10 10 GLN HE21 H 1 7.47 . . 2 . . . . . . . . 4607 1
74 . 1 1 10 10 GLN HE22 H 1 7.10 . . 2 . . . . . . . . 4607 1
75 . 1 1 11 11 GLU H H 1 8.07 . . 1 . . . . . . . . 4607 1
76 . 1 1 11 11 GLU HA H 1 4.21 . . 1 . . . . . . . . 4607 1
77 . 1 1 11 11 GLU HB2 H 1 2.38 . . 2 . . . . . . . . 4607 1
78 . 1 1 11 11 GLU HB3 H 1 2.42 . . 2 . . . . . . . . 4607 1
79 . 1 1 11 11 GLU HG2 H 1 2.48 . . 1 . . . . . . . . 4607 1
80 . 1 1 11 11 GLU HG3 H 1 2.48 . . 1 . . . . . . . . 4607 1
81 . 1 1 12 12 LEU H H 1 8.33 . . 1 . . . . . . . . 4607 1
82 . 1 1 12 12 LEU HA H 1 4.21 . . 1 . . . . . . . . 4607 1
83 . 1 1 12 12 LEU HB2 H 1 1.99 . . 1 . . . . . . . . 4607 1
84 . 1 1 12 12 LEU HB3 H 1 1.99 . . 1 . . . . . . . . 4607 1
85 . 1 1 12 12 LEU HG H 1 1.88 . . 1 . . . . . . . . 4607 1
86 . 1 1 12 12 LEU HD11 H 1 0.97 . . 1 . . . . . . . . 4607 1
87 . 1 1 12 12 LEU HD12 H 1 0.97 . . 1 . . . . . . . . 4607 1
88 . 1 1 12 12 LEU HD13 H 1 0.97 . . 1 . . . . . . . . 4607 1
89 . 1 1 12 12 LEU HD21 H 1 0.97 . . 1 . . . . . . . . 4607 1
90 . 1 1 12 12 LEU HD22 H 1 0.97 . . 1 . . . . . . . . 4607 1
91 . 1 1 12 12 LEU HD23 H 1 0.97 . . 1 . . . . . . . . 4607 1
92 . 1 1 13 13 LEU H H 1 8.60 . . 1 . . . . . . . . 4607 1
93 . 1 1 13 13 LEU HA H 1 4.28 . . 1 . . . . . . . . 4607 1
94 . 1 1 13 13 LEU HB2 H 1 1.87 . . 1 . . . . . . . . 4607 1
95 . 1 1 13 13 LEU HB3 H 1 1.87 . . 1 . . . . . . . . 4607 1
96 . 1 1 13 13 LEU HG H 1 1.59 . . 1 . . . . . . . . 4607 1
97 . 1 1 13 13 LEU HD11 H 1 0.95 . . 1 . . . . . . . . 4607 1
98 . 1 1 13 13 LEU HD12 H 1 0.95 . . 1 . . . . . . . . 4607 1
99 . 1 1 13 13 LEU HD13 H 1 0.95 . . 1 . . . . . . . . 4607 1
100 . 1 1 13 13 LEU HD21 H 1 0.95 . . 1 . . . . . . . . 4607 1
101 . 1 1 13 13 LEU HD22 H 1 0.95 . . 1 . . . . . . . . 4607 1
102 . 1 1 13 13 LEU HD23 H 1 0.95 . . 1 . . . . . . . . 4607 1
103 . 1 1 14 14 GLY H H 1 8.06 . . 1 . . . . . . . . 4607 1
104 . 1 1 14 14 GLY HA2 H 1 4.02 . . 1 . . . . . . . . 4607 1
105 . 1 1 14 14 GLY HA3 H 1 4.02 . . 1 . . . . . . . . 4607 1
106 . 1 1 15 15 GLU H H 1 8.19 . . 1 . . . . . . . . 4607 1
107 . 1 1 15 15 GLU HA H 1 4.24 . . 1 . . . . . . . . 4607 1
108 . 1 1 15 15 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4607 1
109 . 1 1 15 15 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4607 1
110 . 1 1 15 15 GLU HG2 H 1 2.45 . . 1 . . . . . . . . 4607 1
111 . 1 1 15 15 GLU HG3 H 1 2.45 . . 1 . . . . . . . . 4607 1
112 . 1 1 16 16 GLU H H 1 8.48 . . 1 . . . . . . . . 4607 1
113 . 1 1 16 16 GLU HA H 1 4.24 . . 1 . . . . . . . . 4607 1
114 . 1 1 16 16 GLU HB2 H 1 2.23 . . 1 . . . . . . . . 4607 1
115 . 1 1 16 16 GLU HB3 H 1 2.23 . . 1 . . . . . . . . 4607 1
116 . 1 1 16 16 GLU HG2 H 1 2.47 . . 1 . . . . . . . . 4607 1
117 . 1 1 16 16 GLU HG3 H 1 2.47 . . 1 . . . . . . . . 4607 1
118 . 1 1 17 17 ARG H H 1 8.04 . . 1 . . . . . . . . 4607 1
119 . 1 1 17 17 ARG HA H 1 4.33 . . 1 . . . . . . . . 4607 1
120 . 1 1 17 17 ARG HB2 H 1 1.99 . . 1 . . . . . . . . 4607 1
121 . 1 1 17 17 ARG HB3 H 1 1.99 . . 1 . . . . . . . . 4607 1
122 . 1 1 17 17 ARG HG2 H 1 1.78 . . 2 . . . . . . . . 4607 1
123 . 1 1 17 17 ARG HG3 H 1 1.86 . . 2 . . . . . . . . 4607 1
124 . 1 1 17 17 ARG HE H 1 7.38 . . 1 . . . . . . . . 4607 1
125 . 1 1 17 17 ARG HD2 H 1 3.29 . . 1 . . . . . . . . 4607 1
126 . 1 1 17 17 ARG HD3 H 1 3.29 . . 1 . . . . . . . . 4607 1
127 . 1 1 18 18 ARG H H 1 8.00 . . 1 . . . . . . . . 4607 1
128 . 1 1 18 18 ARG HA H 1 4.31 . . 1 . . . . . . . . 4607 1
129 . 1 1 18 18 ARG HB2 H 1 1.99 . . 1 . . . . . . . . 4607 1
130 . 1 1 18 18 ARG HB3 H 1 1.99 . . 1 . . . . . . . . 4607 1
131 . 1 1 18 18 ARG HG2 H 1 1.75 . . 2 . . . . . . . . 4607 1
132 . 1 1 18 18 ARG HG3 H 1 1.84 . . 2 . . . . . . . . 4607 1
133 . 1 1 18 18 ARG HE H 1 7.50 . . 1 . . . . . . . . 4607 1
134 . 1 1 18 18 ARG HD2 H 1 3.30 . . 1 . . . . . . . . 4607 1
135 . 1 1 18 18 ARG HD3 H 1 3.30 . . 1 . . . . . . . . 4607 1
stop_
save_