###################################
# 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 6245
_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_reference
_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 . 6245 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 TYR HB2 H 1 3.15 . . . . . . . . . . . 6245 1
2 . 1 1 1 1 TYR HB3 H 1 3.29 . . . . . . . . . . . 6245 1
3 . 1 1 1 1 TYR HD1 H 1 7.24 . . . . . . . . . . . 6245 1
4 . 1 1 1 1 TYR HE1 H 1 6.96 . . . . . . . . . . . 6245 1
5 . 1 1 3 3 GLU HB2 H 1 2.14 . . . . . . . . . . . 6245 1
6 . 1 1 3 3 GLU HB3 H 1 2.20 . . . . . . . . . . . 6245 1
7 . 1 1 4 4 GLY HA2 H 1 4.01 . . . . . . . . . . . 6245 1
8 . 1 1 4 4 GLY HA3 H 1 4.07 . . . . . . . . . . . 6245 1
9 . 1 1 7 7 ILE HG21 H 1 1.00 . . . . . . . . . . . 6245 1
10 . 1 1 7 7 ILE HG22 H 1 1.00 . . . . . . . . . . . 6245 1
11 . 1 1 7 7 ILE HG23 H 1 1.00 . . . . . . . . . . . 6245 1
12 . 1 1 7 7 ILE HG13 H 1 1.30 . . . . . . . . . . . 6245 1
13 . 1 1 7 7 ILE HG12 H 1 1.68 . . . . . . . . . . . 6245 1
14 . 1 1 8 8 SER HB2 H 1 4.01 . . . . . . . . . . . 6245 1
15 . 1 1 8 8 SER HB3 H 1 4.10 . . . . . . . . . . . 6245 1
16 . 1 1 9 9 ASP HB2 H 1 2.87 . . . . . . . . . . . 6245 1
17 . 1 1 9 9 ASP HB3 H 1 3.02 . . . . . . . . . . . 6245 1
18 . 1 1 10 10 TYR HB2 H 1 3.00 . . . . . . . . . . . 6245 1
19 . 1 1 10 10 TYR HB3 H 1 3.02 . . . . . . . . . . . 6245 1
20 . 1 1 10 10 TYR HD1 H 1 7.08 . . . . . . . . . . . 6245 1
21 . 1 1 10 10 TYR HE1 H 1 6.87 . . . . . . . . . . . 6245 1
22 . 1 1 11 11 SER HB2 H 1 4.03 . . . . . . . . . . . 6245 1
23 . 1 1 11 11 SER HB3 H 1 4.17 . . . . . . . . . . . 6245 1
24 . 1 1 12 12 ILE HG21 H 1 1.01 . . . . . . . . . . . 6245 1
25 . 1 1 12 12 ILE HG22 H 1 1.01 . . . . . . . . . . . 6245 1
26 . 1 1 12 12 ILE HG23 H 1 1.01 . . . . . . . . . . . 6245 1
27 . 1 1 12 12 ILE HG13 H 1 1.25 . . . . . . . . . . . 6245 1
28 . 1 1 12 12 ILE HG12 H 1 1.84 . . . . . . . . . . . 6245 1
29 . 1 1 14 14 MET HB2 H 1 2.16 . . . . . . . . . . . 6245 1
30 . 1 1 14 14 MET HB3 H 1 2.20 . . . . . . . . . . . 6245 1
31 . 1 1 15 15 ASP HB2 H 1 2.98 . . . . . . . . . . . 6245 1
32 . 1 1 15 15 ASP HB3 H 1 3.26 . . . . . . . . . . . 6245 1
33 . 1 1 16 16 LYS HB2 H 1 2.03 . . . . . . . . . . . 6245 1
34 . 1 1 16 16 LYS HB3 H 1 2.15 . . . . . . . . . . . 6245 1
35 . 1 1 17 17 ILE HG21 H 1 0.96 . . . . . . . . . . . 6245 1
36 . 1 1 17 17 ILE HG22 H 1 0.96 . . . . . . . . . . . 6245 1
37 . 1 1 17 17 ILE HG23 H 1 0.96 . . . . . . . . . . . 6245 1
38 . 1 1 17 17 ILE HG13 H 1 1.20 . . . . . . . . . . . 6245 1
39 . 1 1 17 17 ILE HG12 H 1 1.83 . . . . . . . . . . . 6245 1
40 . 1 1 18 18 HIS HB2 H 1 3.46 . . . . . . . . . . . 6245 1
41 . 1 1 18 18 HIS HB3 H 1 3.49 . . . . . . . . . . . 6245 1
42 . 1 1 18 18 HIS HD2 H 1 6.56 . . . . . . . . . . . 6245 1
43 . 1 1 18 18 HIS HE1 H 1 7.36 . . . . . . . . . . . 6245 1
44 . 1 1 19 19 GLN HB2 H 1 2.37 . . . . . . . . . . . 6245 1
45 . 1 1 19 19 GLN HB3 H 1 2.45 . . . . . . . . . . . 6245 1
46 . 1 1 19 19 GLN HE21 H 1 6.63 . . . . . . . . . . . 6245 1
47 . 1 1 19 19 GLN HE22 H 1 7.05 . . . . . . . . . . . 6245 1
48 . 1 1 20 20 GLN HB2 H 1 2.30 . . . . . . . . . . . 6245 1
49 . 1 1 20 20 GLN HB3 H 1 2.35 . . . . . . . . . . . 6245 1
50 . 1 1 20 20 GLN HG2 H 1 2.51 . . . . . . . . . . . 6245 1
51 . 1 1 20 20 GLN HG3 H 1 2.56 . . . . . . . . . . . 6245 1
52 . 1 1 20 20 GLN HE21 H 1 6.56 . . . . . . . . . . . 6245 1
53 . 1 1 20 20 GLN HE22 H 1 7.38 . . . . . . . . . . . 6245 1
54 . 1 1 21 21 ASP HB2 H 1 2.97 . . . . . . . . . . . 6245 1
55 . 1 1 21 21 ASP HB3 H 1 3.22 . . . . . . . . . . . 6245 1
56 . 1 1 22 22 PHE HB2 H 1 3.26 . . . . . . . . . . . 6245 1
57 . 1 1 22 22 PHE HB3 H 1 3.39 . . . . . . . . . . . 6245 1
58 . 1 1 23 23 VAL HG11 H 1 1.07 . . . . . . . . . . . 6245 1
59 . 1 1 23 23 VAL HG12 H 1 1.07 . . . . . . . . . . . 6245 1
60 . 1 1 23 23 VAL HG13 H 1 1.07 . . . . . . . . . . . 6245 1
61 . 1 1 23 23 VAL HG21 H 1 1.27 . . . . . . . . . . . 6245 1
62 . 1 1 23 23 VAL HG22 H 1 1.27 . . . . . . . . . . . 6245 1
63 . 1 1 23 23 VAL HG23 H 1 1.27 . . . . . . . . . . . 6245 1
64 . 1 1 24 24 ASN HB2 H 1 2.87 . . . . . . . . . . . 6245 1
65 . 1 1 24 24 ASN HB3 H 1 3.12 . . . . . . . . . . . 6245 1
66 . 1 1 24 24 ASN HD21 H 1 6.69 . . . . . . . . . . . 6245 1
67 . 1 1 24 24 ASN HD22 H 1 7.59 . . . . . . . . . . . 6245 1
68 . 1 1 25 25 TRP HB2 H 1 3.34 . . . . . . . . . . . 6245 1
69 . 1 1 25 25 TRP HB3 H 1 3.71 . . . . . . . . . . . 6245 1
70 . 1 1 25 25 TRP HD1 H 1 7.20 . . . . . . . . . . . 6245 1
71 . 1 1 25 25 TRP HZ2 H 1 7.39 . . . . . . . . . . . 6245 1
72 . 1 1 25 25 TRP HH2 H 1 7.09 . . . . . . . . . . . 6245 1
73 . 1 1 25 25 TRP HZ3 H 1 7.24 . . . . . . . . . . . 6245 1
74 . 1 1 25 25 TRP HE3 H 1 7.45 . . . . . . . . . . . 6245 1
75 . 1 1 25 25 TRP HE1 H 1 9.78 . . . . . . . . . . . 6245 1
76 . 1 1 26 26 LEU HD11 H 1 0.85 . . . . . . . . . . . 6245 1
77 . 1 1 26 26 LEU HD12 H 1 0.85 . . . . . . . . . . . 6245 1
78 . 1 1 26 26 LEU HD13 H 1 0.85 . . . . . . . . . . . 6245 1
79 . 1 1 26 26 LEU HD21 H 1 0.89 . . . . . . . . . . . 6245 1
80 . 1 1 26 26 LEU HD22 H 1 0.89 . . . . . . . . . . . 6245 1
81 . 1 1 26 26 LEU HD23 H 1 0.89 . . . . . . . . . . . 6245 1
82 . 1 1 27 27 LEU HB2 H 1 1.94 . . . . . . . . . . . 6245 1
83 . 1 1 27 27 LEU HB3 H 1 1.98 . . . . . . . . . . . 6245 1
84 . 1 1 27 27 LEU HD11 H 1 0.90 . . . . . . . . . . . 6245 1
85 . 1 1 27 27 LEU HD12 H 1 0.90 . . . . . . . . . . . 6245 1
86 . 1 1 27 27 LEU HD13 H 1 0.90 . . . . . . . . . . . 6245 1
87 . 1 1 27 27 LEU HD21 H 1 0.94 . . . . . . . . . . . 6245 1
88 . 1 1 27 27 LEU HD22 H 1 0.94 . . . . . . . . . . . 6245 1
89 . 1 1 27 27 LEU HD23 H 1 0.94 . . . . . . . . . . . 6245 1
90 . 1 1 29 29 GLN HB2 H 1 1.75 . . . . . . . . . . . 6245 1
91 . 1 1 29 29 GLN HB3 H 1 1.88 . . . . . . . . . . . 6245 1
92 . 1 1 29 29 GLN HG2 H 1 2.07 . . . . . . . . . . . 6245 1
93 . 1 1 29 29 GLN HG3 H 1 2.14 . . . . . . . . . . . 6245 1
94 . 1 1 29 29 GLN HE21 H 1 6.40 . . . . . . . . . . . 6245 1
95 . 1 1 29 29 GLN HE22 H 1 7.63 . . . . . . . . . . . 6245 1
96 . 1 1 30 30 LYS HB2 H 1 1.86 . . . . . . . . . . . 6245 1
97 . 1 1 30 30 LYS HB3 H 1 1.97 . . . . . . . . . . . 6245 1
stop_
save_